# cost function cost = # ( 5 * bystroff + 5 * pred_bys_t2k + 5 * pred_bys_t04 + 5 * pred_bys_t06 + 5 * pred_bys_mean + 5 * pred_pb_t2k + 5 * pred_pb_t04 + 5 * pred_pb_t06 + 5 * pred_pb_mean ) # 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 bystroff pred_bys_t2k pred_bys_t04 pred_bys_t06 pred_bys_mean pred_pb_t2k pred_pb_t04 pred_pb_t06 pred_pb_mean cost 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 10N 10N 10N 10N 10N 10N 10N 10N 10N 2h4oA 62 -0.220132 1.43135 1.43888 1.43888 1.43623 1.60459 1.61294 1.61294 1.60995 59.8282 -1 -0.970588 -1 -1 -1 -0.95 -1 -1 0 0 0 -7 2.11582e-09 -7 -100 -100 117 -869.629 T0309TS415_2 62 -0.0196053 1.83358 1.83714 1.83714 1.83585 2.50481 2.51769 2.51769 2.51304 86.8866 -0.187848 -0.147059 -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 0 208.363 T0309TS420_1-scwrl 51 0.13 2.64038 2.64547 2.64547 2.64372 2.61291 2.62165 2.62165 2.61859 105.899 -0.198043 -0.176471 -0.284178 -0.230769 -0.39437 -0.2 -0.478392 -0.25 0 0.804395 9.84398 2.28686 9.08959 2.20713 -31.0484 -30.7136 113 210.27 T0309TS443_5 62 -0.0101316 1.71225 1.71441 1.71441 1.71365 2.25029 2.25083 2.25083 2.25064 79.2358 -0.193435 -0.176471 -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 0 212.284 T0309TS443_5-scwrl 62 -0.0101316 1.71225 1.71441 1.71441 1.71365 2.25029 2.25083 2.25083 2.25064 79.2358 -0.193435 -0.176471 -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 0 212.284 T0309TS420_4 55 0.156316 2.37634 2.37303 2.37303 2.37408 2.18538 2.19105 2.19105 2.18896 92.0462 -0.236657 -0.176471 -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 65 212.827 T0309TS092_5 62 -0.248947 1.84336 1.85185 1.85185 1.84888 1.92827 1.94337 1.94337 1.93801 74.5001 -0.317703 -0.205882 -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 0 212.899 T0309TS092_5-scwrl 62 -0.248947 1.84336 1.85185 1.85185 1.84888 1.92827 1.94337 1.94337 1.93801 74.5001 -0.319379 -0.235294 -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 0 213.16 T0309TS413_3-scwrl 62 0.0646053 2.06468 2.06644 2.06644 2.06582 2.54601 2.55169 2.55169 2.54953 92.6346 -0.195981 -0.176471 -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 0 213.316 T0309TS443_1 62 -0.0414474 1.76541 1.76793 1.76793 1.76706 2.27856 2.28338 2.28338 2.2817 80.7695 -0.275349 -0.176471 -0.0740803 -0.157895 -0.568113 -0.2 -0.0169785 -0.148148 0 0.842644 12.2606 2.50639 11.9418 2.48005 -37.0968 -35.4876 0 214.547 T0309TS443_1-scwrl 62 -0.0414474 1.76541 1.76793 1.76793 1.76706 2.27856 2.28338 2.28338 2.2817 80.7695 -0.275349 -0.176471 -0.0740803 -0.157895 -0.568113 -0.2 -0.0169785 -0.148148 0 0.842644 12.2606 2.50639 11.9418 2.48005 -37.0968 -35.4876 0 214.547 T0309TS034_2 62 0.147895 2.00897 2.01248 2.01248 2.01118 2.30562 2.3084 2.3084 2.30734 87.1138 -0.189311 -0.147059 -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 0 214.827 T0309TS034_2-scwrl 62 0.147895 2.00897 2.01248 2.01248 2.01118 2.30562 2.3084 2.3084 2.30734 87.1138 -0.189311 -0.147059 -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 0 214.827 T0309TS033_4-scwrl 62 -0.263026 1.77143 1.77479 1.77479 1.77362 2.24299 2.26089 2.26089 2.25459 79.2548 -0.277443 -0.205882 -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 T0309TS420_4-scwrl 52 0.144737 2.37634 2.37303 2.37303 2.37408 2.18538 2.19105 2.19105 2.18896 91.9883 -0.238121 -0.176471 -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 87 215.22 T0309TS420_1 55 0.160395 2.64038 2.64547 2.64547 2.64372 2.61291 2.62165 2.62165 2.61859 106.051 -0.187848 -0.147059 -0.146767 -0.151515 -0.39437 -0.2 -0.478392 -0.25 0 0.798041 10.219 2.32425 9.71138 2.2733 -32.6613 -31.8005 78 215.407 T0309TS197_5-scwrl 62 -0.0659211 2.04461 2.04146 2.04146 2.04247 2.25074 2.24795 2.24795 2.24886 85.4979 -0.297588 -0.176471 -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 0 215.911 T0309TS415_5 62 -0.195263 1.75191 1.75581 1.75581 1.75445 2.68476 2.69717 2.69717 2.69281 87.9732 -0.195175 -0.176471 -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 0 217.633 T0309TS197_5 62 -0.0659211 2.04461 2.04146 2.04146 2.04247 2.25074 2.24795 2.24795 2.24886 85.4979 -0.297588 -0.176471 -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 0 217.824 T0309TS677_2-scwrl 62 0.409605 2.59212 2.59061 2.59061 2.5911 2.97556 2.98273 2.98273 2.98013 113.476 -0.187848 -0.147059 -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 69 219.531 T0309TS415_2-scwrl 62 -0.0196053 1.83358 1.83714 1.83714 1.83585 2.50481 2.51769 2.51769 2.51304 86.8866 -0.187848 -0.147059 -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 0 220.154 T0309TS413_3 62 0.0646053 2.06468 2.06644 2.06644 2.06582 2.54601 2.55169 2.55169 2.54953 92.6346 -0.347236 -0.176471 -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 0 220.321 T0309TS677_2 62 0.412763 2.59212 2.59061 2.59061 2.5911 2.97556 2.98273 2.98273 2.98013 113.492 -0.187848 -0.147059 -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 60 220.687 T0309TS033_4 62 -0.263026 1.77143 1.77479 1.77479 1.77362 2.24299 2.26089 2.26089 2.25459 79.2548 -0.26216 -0.147059 -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 0 221.542 T0309TS415_5-scwrl 62 -0.195263 1.75191 1.75581 1.75581 1.75445 2.68476 2.69717 2.69717 2.69281 87.9732 -0.187848 -0.147059 -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 0 221.799 T0309TS420_5 55 0.156316 2.31905 2.31574 2.31574 2.31679 2.09037 2.09603 2.09603 2.09394 89.0001 -0.236657 -0.176471 -0.124029 -0.15 -0.500143 -0.25 -0.312416 -0.25 1 0.777972 10.6251 2.36322 10.1121 2.31374 -30.6452 -29.7306 65 222.86 T0309TS736_3u 62 -0.217895 1.93773 1.94287 1.94287 1.941 1.91266 1.92335 1.92335 1.91955 76.1274 -0.235323 -0.176471 -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 0 223.478 T0309TS349_4-scwrl 62 -0.0385526 2.50781 2.51436 2.51436 2.5121 3.0005 3.01822 3.01822 3.01201 110.295 -0.284132 -0.205882 -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 0 223.983 T0309TS033_3-scwrl 62 -0.162763 1.63596 1.64052 1.64052 1.63894 2.37229 2.38573 2.38573 2.38098 79.5896 -0.187849 -0.176471 -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 0 224.321 T0309TS307_1u-scwrl 62 0.0577632 2.18314 2.18783 2.18783 2.18619 2.64831 2.65044 2.65044 2.64971 97.0083 -0.187848 -0.147059 -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 30 224.404 T0309TS307_5u-scwrl 62 0.0577632 2.18314 2.18783 2.18783 2.18619 2.64831 2.65044 2.65044 2.64971 97.0083 -0.187848 -0.147059 -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 30 224.404 T0309TS420_5-scwrl 52 0.144737 2.31905 2.31574 2.31574 2.31679 2.09037 2.09603 2.09603 2.09394 88.9422 -0.238121 -0.176471 -0.219161 -0.214286 -0.500143 -0.25 -0.312416 -0.25 1 0.785381 10.8675 2.38578 10.1713 2.31957 -29.0323 -28.4752 87 224.531 T0309TS113_2-scwrl 62 0.1075 2.03826 2.04329 2.04329 2.04141 2.36045 2.36762 2.36762 2.36503 88.6723 -0.205028 -0.117647 -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 0 224.759 T0309TS113_2 62 0.1075 2.03826 2.04329 2.04329 2.04141 2.36045 2.36762 2.36762 2.36503 88.6723 -0.205028 -0.117647 -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 0 224.857 T0309TS349_4 62 -0.0385526 2.50781 2.51436 2.51436 2.5121 3.0005 3.01822 3.01822 3.01201 110.295 -0.284132 -0.205882 -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 0 225.147 T0309TS337_4-scwrl 62 -0.276447 1.71231 1.70906 1.70906 1.71008 2.15406 2.15014 2.15014 2.15142 75.8491 -0.214686 -0.176471 -0.455106 -0.1875 -0.349649 -0.2 -0.456591 -0.2 0 0.870255 14.0676 2.64387 13.9362 2.63449 -35.8871 -34.4844 69 225.299 T0309TS268_3 62 0.0282895 1.7227 1.72073 1.72073 1.72133 2.05293 2.05028 2.05028 2.05115 75.5921 -0.249996 -0.176471 -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 0 225.717 T0309TS268_3-scwrl 62 0.0282895 1.7227 1.72073 1.72073 1.72133 2.05293 2.05028 2.05028 2.05115 75.5921 -0.249996 -0.176471 -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 0 225.717 T0309TS297_3-scwrl 62 -0.112105 1.8033 1.80821 1.80821 1.8065 2.26631 2.27994 2.27994 2.27511 81.0771 -0.203132 -0.235294 -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 0 226.014 T0309TS671_2-scwrl 62 -0.0702632 2.27321 2.2708 2.2708 2.27132 2.5913 2.60297 2.60297 2.59884 97.0597 -0.249125 -0.147059 -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 0 226.261 T0309TS736_3u-scwrl 62 -0.217895 1.93773 1.94287 1.94287 1.941 1.91266 1.92335 1.92335 1.91955 76.1274 -0.187848 -0.147059 -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 0 226.552 T0309TS302_5-scwrl 52 0.0665789 2.29788 2.30208 2.30208 2.30064 2.49432 2.51323 2.51323 2.5065 96.4826 -0.238121 -0.176471 -0.325005 -0.214286 -0.500143 -0.25 -0.423366 -0.25 0 0.846086 11.2876 2.4237 10.6349 2.36414 -28.629 -28.4018 107 227.411 T0309TS297_3 62 -0.112105 1.8033 1.80821 1.80821 1.8065 2.26631 2.27994 2.27994 2.27511 81.0771 -0.203132 -0.235294 -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 0 228.037 T0309TS034_5 62 0.253421 1.832 1.83019 1.83019 1.83078 2.24993 2.25323 2.25323 2.25205 82.9251 -0.167211 -0.147059 -0.643 -0.227273 -0.349649 -0.2 -0.82148 -0.235294 0 0.917238 15.2252 2.72295 14.9049 2.70169 -28.629 -27.5007 0 228.381 T0309TS034_5-scwrl 62 0.253421 1.832 1.83019 1.83019 1.83078 2.24993 2.25323 2.25323 2.25205 82.9251 -0.167211 -0.147059 -0.643 -0.227273 -0.349649 -0.2 -0.82148 -0.235294 0 0.917238 15.2252 2.72295 14.9049 2.70169 -28.629 -27.5007 0 228.381 T0309TS038_1-scwrl 62 -0.0617105 1.52505 1.5211 1.5211 1.52237 2.02127 2.01787 2.01787 2.01899 70.5196 -0.187848 -0.147059 -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 0 229.515 T0309TS034_1 62 0.137763 1.82689 1.83269 1.83269 1.83069 1.97739 1.97733 1.97733 1.97733 76.8506 -0.187848 -0.147059 -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 0 230.024 T0309TS034_1-scwrl 62 0.137763 1.82689 1.83269 1.83269 1.83069 1.97739 1.97733 1.97733 1.97733 76.8506 -0.187848 -0.147059 -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 0 230.073 T0309TS113_3-scwrl 62 -0.252763 1.84308 1.84655 1.84655 1.84528 2.56129 2.57142 2.57142 2.56784 87.0034 -0.204595 -0.235294 -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 20 230.271 T0309TS302_5 55 0.0844737 2.29788 2.30208 2.30208 2.30064 2.49432 2.51323 2.51323 2.5065 96.5721 -0.236657 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