# 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 2h58A 316 8.5295 -0.987959 -0.981424 -1 -1 -1 -1 -1 -1 1 0 0 -7 0 -7 -100 -100 63 -870.869 T0313TS105_1 316 8.95867 -0.666882 -0.594427 -0.819539 -0.678445 -0.861051 -0.77957 -0.926641 -0.83815 0 0.265994 4.03272 1.39444 3.42173 1.23015 -81.4873 -78.2738 0 -192.871 T0313TS137_1 316 9.08866 -0.634744 -0.585139 -0.844044 -0.705224 -0.787708 -0.747312 -0.933662 -0.847561 0 0.269085 3.73695 1.31827 3.19475 1.16151 -79.4304 -75.4776 0 -191.726 T0313TS105_1-scwrl 316 8.95819 -0.622881 -0.547988 -0.835922 -0.71371 -0.861051 -0.77957 -0.926641 -0.83815 0 0.265994 4.01105 1.38905 3.42173 1.23015 -81.4873 -78.2738 0 -191.12 T0313TS105_4 316 9.10398 -0.66664 -0.594427 -0.828386 -0.688172 -0.851707 -0.763441 -0.923607 -0.835294 0 0.275335 4.11369 1.41432 3.47344 1.24515 -81.25 -78.2559 0 -190.205 T0313TS038_1 316 8.84054 -0.623472 -0.566563 -0.823202 -0.682836 -0.823665 -0.763441 -0.938866 -0.835294 0 0.26927 3.59937 1.28076 3.0901 1.1282 -79.1139 -74.9378 0 -189.941 T0313TS038_1-scwrl 316 8.84778 -0.582296 -0.52322 -0.875873 -0.716102 -0.823665 -0.763441 -0.938866 -0.835294 0 0.26927 3.6328 1.29 3.0901 1.1282 -79.1139 -74.9378 0 -189.689 T0313TS136_1 316 9.12548 -0.620373 -0.575851 -0.823 -0.676364 -0.781883 -0.747312 -0.928973 -0.852761 0 0.268217 3.83845 1.34507 3.16836 1.15321 -80.4589 -76.3232 0 -189.353 T0313TS556_3 316 8.76714 -0.65049 -0.588235 -0.851671 -0.683453 -0.842853 -0.77957 -0.914417 -0.828571 0 0.284983 3.43424 1.2338 2.8918 1.06188 -75.7911 -72.0741 0 -188.176 T0313TS420_5-scwrl 316 8.7483 -0.622225 -0.560372 -0.828152 -0.709804 -0.852414 -0.774194 -0.902929 -0.83237 0 0.269117 3.88391 1.35684 3.35772 1.21126 -79.4304 -76.3726 0 -187.799 T0313TS556_2 316 8.72709 -0.652077 -0.591331 -0.846621 -0.710037 -0.842853 -0.77957 -0.891361 -0.801105 0 0.292886 3.33506 1.20449 2.85192 1.04799 -75 -71.0349 0 -187.013 T0313TS105_4-scwrl 316 9.10369 -0.61343 -0.529412 -0.838532 -0.709544 -0.851707 -0.763441 -0.923607 -0.835294 0 0.275335 4.07654 1.40525 3.47344 1.24515 -81.25 -78.2559 0 -186.187 T0313TS556_3-scwrl 316 8.77337 -0.608955 -0.544892 -0.869414 -0.718367 -0.842853 -0.77957 -0.914417 -0.828571 0 0.284983 3.51008 1.25564 2.8918 1.06188 -75.7911 -72.0741 0 -185.8 T0313TS136_1-scwrl 316 9.12716 -0.590898 -0.526316 -0.822564 -0.699588 -0.781883 -0.747312 -0.928973 -0.852761 0 0.268217 3.92333 1.36694 3.16836 1.15321 -80.4589 -76.3232 0 -185.777 T0313TS105_2 316 8.94053 -0.643973 -0.582043 -0.845255 -0.6787 -0.857159 -0.774194 -0.940223 -0.847059 0 0.287376 4.06872 1.40333 3.46207 1.24187 -80.6962 -77.0693 0 -185.603 T0313TS556_1 316 8.74623 -0.658341 -0.597523 -0.827069 -0.686833 -0.842853 -0.77957 -0.899541 -0.810056 0 0.289063 3.41931 1.22944 2.85924 1.05056 -74.6044 -71.2274 0 -185.281 T0313TS137_1-scwrl 316 9.08356 -0.570127 -0.517028 -0.842317 -0.732456 -0.787708 -0.747312 -0.933662 -0.847561 0 0.269085 3.87093 1.3535 3.19475 1.16151 -79.4304 -75.4776 0 -185.132 T0313TS105_5 316 9.05235 -0.624109 -0.557276 -0.811376 -0.694981 -0.86791 -0.77957 -0.928037 -0.833333 0 0.281728 4.02098 1.39153 3.47043 1.24428 -80.7753 -77.526 0 -184.399 T0313TS105_5-scwrl 316 9.05202 -0.618227 -0.544892 -0.81628 -0.695652 -0.86791 -0.77957 -0.928037 -0.833333 0 0.281728 4.04102 1.3965 3.47043 1.24428 -80.7753 -77.526 0 -183.591 T0313TS659_1u-scwrl 316 9.3632 -0.596719 -0.5387 -0.825372 -0.707317 -0.836338 -0.795699 -0.924866 -0.870588 0 0.289198 3.73683 1.31824 3.17572 1.15553 -78.9557 -74.9089 0 -182.901 T0313TS247_1-scwrl 314 8.56617 -0.600759 -0.513932 -0.785443 -0.665339 -0.80464 -0.715054 -0.86183 -0.783626 0 0.299959 3.25469 1.1801 2.63857 0.970239 -80.2215 -76.7486 18 -182.893 T0313TS247_1 314 8.56617 -0.600759 -0.513932 -0.785443 -0.665339 -0.80464 -0.715054 -0.86183 -0.783626 0 0.299959 3.2563 1.18059 2.63857 0.970239 -80.2215 -76.7486 18 -182.876 T0313TS671_1 316 8.77589 -0.616728 -0.551084 -0.717275 -0.647273 -0.803884 -0.741935 -0.845528 -0.811765 0 0.313204 3.41419 1.22794 2.75775 1.01441 -82.1994 -77.8743 0 -182.672 T0313TS556_1-scwrl 316 8.7498 -0.607305 -0.547988 -0.844675 -0.719512 -0.842853 -0.77957 -0.899541 -0.810056 0 0.289063 3.44507 1.23694 2.85924 1.05056 -74.6044 -71.2274 0 -182.504 T0313TS105_3 316 8.93141 -0.651609 -0.575851 -0.799777 -0.634812 -0.844002 -0.763441 -0.92023 -0.816092 0 0.284967 4.03404 1.39477 3.43666 1.2345 -81.0127 -77.7913 0 -182.499 T0313TS556_2-scwrl 316 8.73209 -0.616267 -0.551084 -0.836719 -0.720648 -0.842853 -0.77957 -0.891361 -0.801105 0 0.292886 3.44749 1.23765 2.85192 1.04799 -75 -71.0349 0 -182.085 T0313TS105_2-scwrl 316 8.94248 -0.595604 -0.529412 -0.841802 -0.709544 -0.857159 -0.774194 -0.940223 -0.847059 0 0.287376 4.08435 1.40716 3.46207 1.24187 -80.6962 -77.0693 0 -181.788 T0313TS338_1-scwrl 316 8.86037 -0.616809 -0.544892 -0.861516 -0.736402 -0.866216 -0.784946 -0.948528 -0.884848 0 0.283847 4.25991 1.44925 3.72517 1.31511 -79.193 -75.8975 0 -180.97 T0313TS338_2-scwrl 316 8.86037 -0.616809 -0.544892 -0.861516 -0.736402 -0.866216 -0.784946 -0.948528 -0.884848 0 0.283847 4.25991 1.44925 3.72517 1.31511 -79.193 -75.8975 0 -180.97 T0313TS338_3-scwrl 316 8.86037 -0.616809 -0.544892 -0.861516 -0.736402 -0.866216 -0.784946 -0.948528 -0.884848 0 0.283847 4.25991 1.44925 3.72517 1.31511 -79.193 -75.8975 0 -180.97 T0313TS338_4-scwrl 316 8.86037 -0.616809 -0.544892 -0.861516 -0.736402 -0.866216 -0.784946 -0.948528 -0.884848 0 0.283847 4.25991 1.44925 3.72517 1.31511 -79.193 -75.8975 0 -180.97 T0313TS338_5-scwrl 316 8.86037 -0.616809 -0.544892 -0.861516 -0.736402 -0.866216 -0.784946 -0.948528 -0.884848 0 0.283847 4.25991 1.44925 3.72517 1.31511 -79.193 -75.8975 0 -180.97 T0313TS105_3-scwrl 316 8.92617 -0.583513 -0.520124 -0.8258 -0.697095 -0.844002 -0.763441 -0.92023 -0.816092 0 0.284967 4.02082 1.39149 3.43666 1.2345 -81.0127 -77.7913 0 -180.838 T0313TS267_4 316 8.93796 -0.583106 -0.520124 -0.740962 -0.617647 -0.825658 -0.736559 -0.840038 -0.756906 0 0.311868 3.29907 1.19364 2.57555 0.946064 -81.0127 -77.5772 0 -180.74 T0313TS659_1u 316 9.36697 -0.637932 -0.572755 -0.72288 -0.663082 -0.836338 -0.795699 -0.924866 -0.870588 0 0.289198 3.66725 1.29944 3.17572 1.15553 -78.9557 -74.9089 0 -179.986 T0313TS267_4-scwrl 316 8.94496 -0.574636 -0.49226 -0.740914 -0.636 -0.825658 -0.736559 -0.840038 -0.756906 0 0.311868 3.32039 1.20008 2.57555 0.946064 -81.0127 -77.5772 0 -179.614 T0313TS671_2 316 9.06355 -0.578102 -0.526316 -0.771371 -0.688259 -0.733224 -0.709677 -0.939035 -0.868421 0 0.288256 3.52019 1.25851 2.89074 1.06151 -78.1646 -74.1946 0 -179.521 T0313TS671_2-scwrl 316 9.04946 -0.552294 -0.498452 -0.775239 -0.731818 -0.733224 -0.709677 -0.939035 -0.868421 0 0.288256 3.57584 1.2742 2.89074 1.06151 -78.1646 -74.1946 0 -178.659 T0313TS420_5 316 8.75058 -0.643558 -0.575851 -0.670856 -0.592357 -0.852414 -0.774194 -0.902929 -0.83237 0 0.269117 3.83756 1.34484 3.35772 1.21126 -79.4304 -76.3726 0 -176.323 T0313TS338_1 316 8.86666 -0.629387 -0.575851 -0.817281 -0.632653 -0.866216 -0.784946 -0.948528 -0.884848 0 0.283847 4.23376 1.44309 3.72517 1.31511 -79.193 -75.8975 0 -175.964 T0313TS338_2 316 8.86666 -0.629387 -0.575851 -0.817281 -0.632653 -0.866216 -0.784946 -0.948528 -0.884848 0 0.283847 4.23376 1.44309 3.72517 1.31511 -79.193 -75.8975 0 -175.964 T0313TS338_3 316 8.86666 -0.629387 -0.575851 -0.817281 -0.632653 -0.866216 -0.784946 -0.948528 -0.884848 0 0.283847 4.23376 1.44309 3.72517 1.31511 -79.193 -75.8975 0 -175.964 T0313TS338_4 316 8.86666 -0.629387 -0.575851 -0.817281 -0.632653 -0.866216 -0.784946 -0.948528 -0.884848 0 0.283847 4.23376 1.44309 3.72517 1.31511 -79.193 -75.8975 0 -175.964 T0313TS338_5 316 8.86666 -0.629387 -0.575851 -0.817281 -0.632653 -0.866216 -0.784946 -0.948528 -0.884848 0 0.283847 4.23376 1.44309 3.72517 1.31511 -79.193 -75.8975 0 -175.964 T0313TS671_1-scwrl 316 8.76091 -0.5726 -0.501548 -0.686231 -0.640316 -0.803884 -0.741935 -0.845528 -0.811765 0 0.313204 3.46858 1.24375 2.75775 1.01441 -82.1994 -77.8743 0 -175.535 T0313TS248_5-scwrl 316 8.7413 -0.551701 -0.489164 -0.76675 -0.637097 -0.769331 -0.704301 -0.860048 -0.748571 0 0.311683 3.58576 1.27697 2.7504 1.01175 -81.7247 -78.0279 0 -175.428 T0313TS248_5 316 8.73997 -0.547122 -0.498452 -0.774367 -0.602996 -0.769331 -0.704301 -0.860048 -0.748571 0 0.311683 3.54242 1.26481 2.7504 1.01175 -81.7247 -78.0279 0 -174.765 T0313TS671_4 316 9.10688 -0.552292 -0.50774 -0.772175 -0.672131 -0.701013 -0.677419 -0.917231 -0.834437 0 0.283277 3.62879 1.2889 2.90094 1.06503 -77.6899 -73.9062 0 -174.396 T0313TS050_3 314 8.66725 -0.619743 -0.551084 -0.8243 -0.730612 -0.843611 -0.763441 -0.878654 -0.841176 0 0.318606 3.82692 1.34206 3.27696 1.18692 -78.7184 -75.5745 18 -173.948 T0313TS420_3 314 8.66725 -0.619743 -0.551084 -0.8243 -0.730612 -0.843611 -0.763441 -0.878654 -0.841176 0 0.318606 3.82692 1.34206 3.27696 1.18692 -78.7184 -75.5745 18 -173.948 T0313TS420_1-scwrl 314 8.65381 -0.622678 -0.557276 -0.810145 -0.726908 -0.853629 -0.774194 -0.893778 -0.847953 0 0.319627 3.85269 1.34877 3.29775 1.19324 -78.8766 -75.6816 18 -173.574 T0313TS420_1 314 8.6538 -0.613558 -0.55418 -0.810729 -0.731707 -0.853629 -0.774194 -0.893778 -0.847953 0 0.319627 3.85187 1.34856 3.29775 1.19324 -78.8766 -75.6816 18 -173.24 T0313TS050_3-scwrl 314 8.66645 -0.616723 -0.547988 -0.814684 -0.723577 -0.843611 -0.763441 -0.878654 -0.841176 0 0.318606 3.82623 1.34188 3.27696 1.18692 -78.7184 -75.5745 18 -172.816 T0313TS420_3-scwrl 314 8.66645 -0.616723 -0.547988 -0.814684 -0.723577 -0.843611 -0.763441 -0.878654 -0.841176 0 0.318606 3.82623 1.34188 3.27696 1.18692 -78.7184 -75.5745 18 -172.816 T0313TS640_3 313 8.87939 -0.57594 -0.50774 -0.760799 -0.633205 -0.810462 -0.715054 -0.840165 -0.751412 0 0.322311 3.29192 1.19147 2.58734 0.950628 -80.1424 -76.6577 26 -171.973 T0313TS671_4-scwrl 316 9.10661 -0.49596 -0.448916 -0.7798 -0.707317 -0.701013 -0.677419 -0.917231 -0.834437 0 0.283277 3.59123 1.27849 2.90094 1.06503 -77.6899 -73.9062 0 -171.143 T0313TS111_4-scwrl 316 9.01497 -0.613529 -0.52322 -0.712486 -0.665354 -0.81543 -0.736559 -0.89663 -0.810651 0 0.308538 3.81175 1.33809 3.21896 1.16906 -79.9051 -76.4503 0 -171.065 T0313TS671_3-scwrl 316 9.04139 -0.506561 -0.467492 -0.803417 -0.705607 -0.71485 -0.693548 -0.942181 -0.848684 0 0.312325 3.58809 1.27762 2.80269 1.03058 -78.481 -74.4774 0 -171.006 T0313TS302_5-scwrl 314 8.71701 -0.609338 -0.535604 -0.785359 -0.716049 -0.838235 -0.758065 -0.876515 -0.845238 0 0.307703 3.88093 1.35607 3.34872 1.20858 -78.7184 -75.4316 18 -170.787 T0313TS351_1-scwrl 316 8.94712 -0.559783 -0.510836 -0.804098 -0.723684 -0.776306 -0.752688 -0.922486 -0.89172 0 0.347594 3.43268 1.23334 2.65135 0.97507 -76.5823 -72.5795 0 -170.576 T0313TS420_2-scwrl 314 8.67526 -0.602376 -0.535604 -0.826195 -0.721992 -0.839523 -0.763441 -0.90328 -0.846154 0 0.325784 3.87121 1.35357 3.28261 1.18864 -78.7184 -75.6334 18 -170.393 T0313TS111_4 316 9.02227 -0.625892 -0.541796 -0.713538 -0.607639 -0.81543 -0.736559 -0.89663 -0.810651 0 0.308538 3.77501 1.3284 3.21896 1.16906 -79.9051 -76.4503 0 -170.118 T0313TS420_2 314 8.67519 -0.593256 -0.532508 -0.825258 -0.720833 -0.839523 -0.763441 -0.90328 -0.846154 0 0.325784 3.8697 1.35318 3.28261 1.18864 -78.7184 -75.6334 18 -169.691 T0313TS267_1-scwrl 316 8.7796 -0.574586 -0.489164 -0.864212 -0.752381 -0.816233 -0.698925 -0.924681 -0.849673 0 0.331115 3.98915 1.38358 3.25225 1.17935 -78.0854 -74.6521 0 -169.621 T0313TS267_1 316 8.76878 -0.615902 -0.52322 -0.846535 -0.686992 -0.816233 -0.698925 -0.924681 -0.849673 0 0.331115 3.95315 1.37451 3.25225 1.17935 -78.0854 -74.6521 0 -169.554 T0313TS556_4 316 9.00087 -0.610306 -0.566563 -0.888867 -0.701149 -0.761238 -0.725806 -0.945538 -0.818182 0 0.309227 3.77876 1.3294 3.18494 1.15843 -72.4684 -68.8597 0 -169.053 T0313TS091_3 316 9.15997 -0.567009 -0.5387 -0.782646 -0.656604 -0.757484 -0.731183 -0.887913 -0.834356 0 0.329073 3.81737 1.33956 3.06685 1.12065 -79.5095 -75.4211 0 -167.969 T0313TS092_1 316 9.15997 -0.567009 -0.5387 -0.782646 -0.656604 -0.757484 -0.731183 -0.887913 -0.834356 0 0.329073 3.81737 1.33956 3.06685 1.12065 -79.5095 -75.4211 0 -167.969 T0313TS018_5-scwrl 316 8.68707 -0.583808 -0.510836 -0.759248 -0.705128 -0.811917 -0.715054 -0.853396 -0.83125 0 0.318638 3.97089 1.37899 3.37081 1.21515 -79.4304 -76.2906 0 -167.341 T0313TS038_3 316 8.82775 -0.632242 -0.575851 -0.844862 -0.673913 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