# 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 -0.854114 -1 -1 -1 -1 -1 -1 -1 -1 0 0 0 -7 0 -7 -100 -100 63 -882.4 T0313TS105_1 316 -0.867913 -0.67501 -0.605678 -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 -193.84 T0313TS137_1 316 -0.880558 -0.642481 -0.596215 -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 -192.667 T0313TS105_1-scwrl 316 -0.880337 -0.630473 -0.55836 -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 -192.018 T0313TS105_4 316 -0.882196 -0.674765 -0.605678 -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 -191.174 T0313TS038_1 316 -0.881148 -0.631071 -0.577287 -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 -190.857 T0313TS038_1-scwrl 316 -0.88997 -0.589393 -0.533123 -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 -190.539 T0313TS136_1 316 -0.877205 -0.627934 -0.586751 -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 -190.276 T0313TS556_3 316 -0.905354 -0.658419 -0.599369 -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 -189.129 T0313TS420_5-scwrl 316 -0.849361 -0.629809 -0.570978 -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 -188.708 T0313TS556_2 316 -0.901342 -0.660025 -0.602524 -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 -187.97 T0313TS105_4-scwrl 316 -0.885683 -0.620906 -0.539432 -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 -187.062 T0313TS556_3-scwrl 316 -0.911798 -0.616377 -0.555205 -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 -186.687 T0313TS136_1-scwrl 316 -0.886094 -0.5981 -0.536278 -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 -186.635 T0313TS105_2 316 -0.87913 -0.651822 -0.59306 -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 -186.546 T0313TS556_1 316 -0.897752 -0.666365 -0.608833 -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 -186.247 T0313TS137_1-scwrl 316 -0.890221 -0.577076 -0.526814 -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 -185.969 T0313TS105_5 316 -0.875697 -0.631715 -0.567823 -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 -185.307 T0313TS105_5-scwrl 316 -0.879161 -0.625762 -0.555205 -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 -184.483 T0313TS659_1u-scwrl 316 -0.848069 -0.603991 -0.548896 -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 -183.774 T0313TS247_1-scwrl 314 -0.850246 -0.608081 -0.523659 -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 -183.745 T0313TS247_1 314 -0.850246 -0.608081 -0.523659 -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 -183.728 T0313TS671_1 316 -0.880189 -0.624245 -0.561514 -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 -183.569 T0313TS105_3 316 -0.879754 -0.659551 -0.586751 -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 -183.441 T0313TS556_1-scwrl 316 -0.905204 -0.614707 -0.55836 -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 -183.392 T0313TS556_2-scwrl 316 -0.908335 -0.623778 -0.561514 -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 -182.982 T0313TS105_2-scwrl 316 -0.884985 -0.602863 -0.539432 -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 -182.652 T0313TS338_1-scwrl 316 -0.867468 -0.624327 -0.555205 -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 -181.862 T0313TS338_2-scwrl 316 -0.867468 -0.624327 -0.555205 -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 -181.862 T0313TS338_3-scwrl 316 -0.867468 -0.624327 -0.555205 -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 -181.862 T0313TS338_4-scwrl 316 -0.867468 -0.624327 -0.555205 -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 -181.862 T0313TS338_5-scwrl 316 -0.867468 -0.624327 -0.555205 -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 -181.862 T0313TS105_3-scwrl 316 -0.885939 -0.590625 -0.529968 -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 -181.686 T0313TS267_4 316 -0.863219 -0.590213 -0.529968 -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 -181.588 T0313TS659_1u 316 -0.848723 -0.645707 -0.583596 -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 -180.917 T0313TS267_4-scwrl 316 -0.868592 -0.58164 -0.501577 -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 -180.43 T0313TS671_2 316 -0.864542 -0.585148 -0.536278 -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 -180.371 T0313TS671_2-scwrl 316 -0.859193 -0.559026 -0.507886 -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 -179.468 T0313TS420_5 316 -0.844248 -0.651401 -0.586751 -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 -177.26 T0313TS338_1 316 -0.85775 -0.637058 -0.586751 -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 -176.892 T0313TS338_2 316 -0.85775 -0.637058 -0.586751 -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 -176.892 T0313TS338_3 316 -0.85775 -0.637058 -0.586751 -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 -176.892 T0313TS338_4 316 -0.85775 -0.637058 -0.586751 -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 -176.892 T0313TS338_5 316 -0.85775 -0.637058 -0.586751 -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 -176.892 T0313TS671_1-scwrl 316 -0.884064 -0.579579 -0.511041 -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 -176.359 T0313TS248_5-scwrl 316 -0.869475 -0.558425 -0.498423 -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 -176.227 T0313TS248_5 316 -0.864826 -0.553791 -0.507886 -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 -175.57 T0313TS671_4 316 -0.866305 -0.559024 -0.51735 -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 -175.213 T0313TS640_3 313 -0.860547 -0.58296 -0.51735 -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 -172.804 T0313TS111_4-scwrl 316 -0.881997 -0.621006 -0.533123 -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 -171.934 T0313TS671_4-scwrl 316 -0.865679 -0.502005 -0.457413 -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 -171.87 T0313TS671_3-scwrl 316 -0.861227 -0.512735 -0.476341 -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 -171.757 T0313TS351_1-scwrl 316 -0.826204 -0.566606 -0.520505 -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 -171.401 T0313TS111_4 316 -0.881387 -0.63352 -0.55205 -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 -171.012 T0313TS267_1-scwrl 316 -0.851208 -0.581589 -0.498423 -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 -170.434 T0313TS267_1 316 -0.84641 -0.623408 -0.533123 -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 -170.424 T0313TS556_4 316 -0.880239 -0.617745 -0.577287 -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 -169.961 T0313TS091_3 316 -0.861925 -0.57392 -0.548896 -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 -168.824 T0313TS092_1 316 -0.861925 -0.57392 -0.548896 -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 -168.824 T0313TS018_5-scwrl 316 -0.829291 -0.590924 -0.520505 -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 -168.181 T0313TS038_3 316 -0.880126 -0.639948 -0.586751 -0.844862 -0.673913 -0.781034 -0.747312 -0.960925 -0.852761 0 0.294876 3.97008 1.37879 3.45603 1.24012 -72.5475 -69.1424 0 -167.948 T0313TS004_3 316 -0.859221 -0.625434 -0.570978 -0.766012 -0.696154 -0.760854 -0.731183 -0.888327 -0.824242 0 0.305039 3.61655 1.28552 3.08267 1.1258 -72.943 -69.7482 0 -167.891 T0313TS047_2 316 -0.859221 -0.625434 -0.570978 -0.766012 -0.696154 -0.760854 -0.731183 -0.888327 -0.824242 0 0.305039 3.61655 1.28552 3.08267 1.1258 -72.943 -69.7482 0 -167.891 T0313TS536_2 316 -0.854699 -0.557518 -0.523659 -0.778026 -0.648438 -0.750284 -0.704301 -0.848438 -0.803681 0 0.310554 3.79899 1.33474 3.11471 1.13614 -79.0348 -75.0111 0 -167.584 T0313TS556_5-scwrl 316 -0.885773 -0.585092 -0.542587 -0.879096 -0.716667 -0.761238 -0.731183 -0.953249 -0.814371 0 0.307032 3.70096 1.30859 3.15804 1.14995 -71.8354 -68.5749 0 -167.477 T0313TS091_3-scwrl 316 -0.864313 -0.550706 -0.514196 -0.794985 -0.684874 -0.757484 -0.731183 -0.887913 -0.834356 0 0.329073 3.87303 1.35404 3.06685 1.12065 -79.5095 -75.4211 0 -167.452 T0313TS092_1-scwrl 316 -0.864313 -0.550706 -0.514196 -0.794985 -0.684874 -0.757484 -0.731183 -0.887913 -0.834356 0 0.329073 3.87303 1.35404 3.06685 1.12065 -79.5095 -75.4211 0 -167.452 T0313TS024_3 316 -0.850779 -0.509111 -0.470032 -0.819932 -0.696262 -0.730847 -0.688172 -0.933026 -0.847682 0 0.331469 3.35104 1.20927 2.65753 0.977396 -75.9494 -72.4993 0 -167.273 T0313TS024_3-scwrl 316 -0.850779 -0.509111 -0.470032 -0.819932 -0.696262 -0.730847 -0.688172 -0.933026 -0.847682 0 0.331469 3.35104 1.20927 2.65753 0.977396 -75.9494 -72.4993 0 -167.273 T0313TS203_2 316 -0.849049 -0.63283 -0.545741 -0.837729 -0.673152 -0.817867 -0.709677 -0.925581 -0.846154 0 0.338651 4.06588 1.40263 3.37804 1.2173 -78.2437 -74.6849 0 -167.053 T0313TS671_3 316 -0.853474 -0.534011 -0.501577 -0.719018 -0.641129 -0.71485 -0.693548 -0.942181 -0.848684 0 0.312325 3.54754 1.26625 2.80269 1.03058 -78.481 -74.4774 0 -167.036 T0313TS536_2-scwrl 316 -0.859143 -0.555525 -0.495268 -0.771872 -0.676724 -0.750284 -0.704301 -0.848438 -0.803681 0 0.310554 3.84988 1.34804 3.11471 1.13614 -79.0348 -75.0111 0 -166.706 T0313TS302_2-scwrl 316 -0.852923 -0.616793 -0.555205 -0.813983 -0.72428 -0.8556 -0.77957 -0.927288 -0.884146 0 0.312149 4.42572 1.48743 3.90301 1.36175 -77.3734 -74.4139 0 -166.424 T0313TS351_1 316 -0.823123 -0.572163 -0.529968 -0.737782 -0.677419 -0.776306 -0.752688 -0.922486 -0.89172 0 0.347594 3.45719 1.24046 2.65135 0.97507 -76.5823 -72.5795 0 -166.274 T0313TS556_5 316 -0.874615 -0.610007 -0.577287 -0.852829 -0.665455 -0.761238 -0.731183 -0.953249 -0.814371 0 0.307032 3.73824 1.31862 3.15804 1.14995 -71.8354 -68.5749 0 -166.233 T0313TS178_1 316 -0.847616 -0.608657 -0.533123 -0.776312 -0.725322 -0.836964 -0.736559 -0.8913 -0.872611 0 0.31134 4.19273 1.43335 3.66157 1.29789 -77.5316 -74.1583 0 -165.863 T0313TS178_1-scwrl 316 -0.847616 -0.608657 -0.533123 -0.776312 -0.725322 -0.836964 -0.736559 -0.8913 -0.872611 0 0.31134 4.19273 1.43335 3.66157 1.29789 -77.5316 -74.1583 0 -165.863 T0313TS203_2-scwrl 316 -0.853324 -0.593237 -0.514196 -0.832945 -0.714912 -0.817867 -0.709677 -0.925581 -0.846154 0 0.338651 4.11991 1.41583 3.37804 1.2173 -78.2437 -74.6849 0 -164.883 T0313TS050_3 314 -0.846693 -0.627297 -0.561514 -0.8243 -0.730612 -0.843611 -0.763441 -0.878654 -0.841176 1 0.318606 3.82692 1.34206 3.27696 1.18692 -78.7184 -75.5745 18 -164.847 T0313TS420_3 314 -0.846693 -0.627297 -0.561514 -0.8243 -0.730612 -0.843611 -0.763441 -0.878654 -0.841176 1 0.318606 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T0313TS389_3-scwrl 299 -0.877806 -0.522285 -0.479495 -0.740635 -0.630705 -0.710123 -0.677419 -0.802453 -0.741176 1 0.384266 4.44802 1.49246 3.83154 1.34327 -66.2184 -63.4339 177 -62.8328 T0313TS601_4 316 -0.769761 -0.38035 -0.334385 -0.697517 -0.592179 -0.576906 -0.521505 -0.968032 -0.788618 0 0.440807 5.56895 1.71721 4.9549 1.60038 -67.4051 -62.7217 0 -62.624 T0313TS435_3-scwrl 316 -0.791771 -0.554633 -0.495268 -0.653869 -0.585821 -0.76044 -0.698925 -0.78954 -0.726257 0 0.441197 7.34927 1.9946 6.96941 1.94153 -68.9873 -65.4969 0 -62.4191 T0313TS710_2 316 -0.744995 -0.503549 -0.44795 -0.442295 -0.525926 -0.685049 -0.629032 -0.764244 -0.769737 0 0.434073 5.17006 1.64288 4.48364 1.50044 -65.4272 -61.2924 0 -61.8576 T0313TS277_5 316 -0.734045 -0.371443 -0.347003 -0.370598 -0.428016 -0.451112 -0.435484 -0.563224 -0.623077 0 0.422429 4.03332 1.39459 3.31609 1.19879 -69.5411 -64.9459 0 -61.8089 T0313TS307_3 316 -0.54384 -0.353146 -0.302839 -0.612788 -0.536313 -0.520056 -0.446237 -0.846513 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