Results for CAPRI round 19 target T41

M.F. Lensink and S.J. Wodak

Comments, suggestions, questions: marc.lensink(at)ulb.ac.be

Text version of this file.

Text version of predictor and scorer results, including correct uploader results.

Results for:

Number of analysed predictions: 327

Clashes threshold filtering: 80.00
Average: 18.89
StdDev: 22.26
Sequence Identity threshold filtering: 70.0

Eliminated 12, remaining 315 predictions

Removed predictions:

(nclash > 80.00)
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)
unbound 0.763 0.526 0.800 0.958 0.091 0.148 1829.3 0.182 240 1.153 0.864 2.312 2.87 94.90 1.065 0.569 clashes,high
T41_P44.M01 0.712 0.481 0.800 0.958 0.091 0.115 1766.5 0.294 199 1.346 0.988 2.325 4.67 94.90 1.065 0.569 clashes,high
interface 0.712 0.408 0.840 0.958 0.000 0.080 1718.4 0.469 171 1.860 1.115 2.356 9.38 94.90 1.065 0.569 clashes,medium
T41_P13.M01 0.576 0.605 0.920 0.833 0.207 0.167 1942.8 2.797 82 3.840 1.597 2.663 16.02 94.90 1.075 0.589 clashes,medium
T41_P41.M05 0.542 0.529 0.800 0.833 0.200 0.200 1807.0 8.069 90 9.952 2.508 3.287 34.36 95.80 1.306 0.642 clashes,acceptable
T41_P13.M04 0.542 0.579 0.680 0.875 0.227 0.125 1617.1 7.091 100 10.015 3.013 3.732 45.23 94.90 1.103 0.585 clashes,acceptable
T41_P43.M09 0.051 0.929 0.440 0.542 0.214 0.188 1085.8 25.554 95 28.636 7.870 8.562 95.99 95.80 1.073 0.629 clashes,incorrect
T41_P43.M08 0.085 0.857 0.320 0.500 0.273 0.200 929.5 26.805 135 29.574 7.997 8.688 92.12 95.80 1.074 0.629 clashes,incorrect
T41_P43.M07 0.034 0.951 0.480 0.500 0.200 0.368 1151.0 28.114 116 31.774 9.336 10.014 119.11 95.80 1.073 0.629 clashes,incorrect
T41_P43.M01 0.085 0.909 0.600 0.500 0.250 0.400 1335.6 29.501 92 32.687 9.264 9.903 111.13 95.80 1.073 0.629 clashes,incorrect
T41_P43.M02 0.119 0.844 0.560 0.458 0.300 0.450 1144.7 29.790 113 32.687 8.997 9.666 103.21 95.80 1.073 0.629 clashes,incorrect
T41_P13.M08 0.000 1.000 0.040 0.208 0.970 0.828 2150.8 35.273 85 38.987 13.504 14.395 145.01 94.90 1.143 0.579 clashes,incorrect

Eliminated 0, remaining 315 predictions

Removed predictions:

(seqid < 70.0)
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)

Incorrect predictions 168, remaining 147 predictions

Incorrect predictions:

((f(nat) < 0.1) || ((L_rmsd > 10.0) && (I_rmsdbb > 4.0)))
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)
T41_P10.M09 0.034 0.961 0.560 0.583 0.333 0.125 1265.6 4.634 12 7.106 4.221 4.942 35.62 94.90 1.065 0.569 incorrect
T41_P36.M06 0.356 0.604 0.640 0.667 0.304 0.111 1465.0 6.190 8 10.440 4.042 4.740 59.52 94.90 1.135 0.830 incorrect
T41_P31.M07 0.000 1.000 0.480 0.708 0.478 0.056 1241.9 6.798 10 11.299 5.172 5.971 59.39 94.90 0.852 0.835 incorrect
T41_P36.M07 0.305 0.581 0.520 0.708 0.350 0.105 1295.6 7.384 7 11.380 4.034 4.744 60.45 94.90 1.140 0.700 incorrect
T41_P45.M08 0.339 0.565 0.520 0.708 0.350 0.105 1322.0 7.329 14 11.429 4.042 4.735 61.69 94.90 1.118 0.672 incorrect
T41_P45.M07 0.254 0.681 0.640 0.625 0.238 0.211 1461.2 10.026 15 11.756 4.595 5.173 41.94 94.90 1.084 0.652 incorrect
T41_P17.M09 0.136 0.790 0.480 0.667 0.294 0.059 1241.8 3.236 4 11.835 5.713 6.038 73.46 95.80 1.098 0.598 incorrect
T41_P22.M08 0.085 0.792 0.360 0.583 0.438 0.067 992.6 3.620 2 11.966 5.831 7.119 74.88 95.80 2.395 0.603 incorrect
T41_P45.M05 0.153 0.816 0.640 0.750 0.333 0.100 1538.6 10.210 13 12.272 4.151 4.555 47.34 94.90 0.674 0.643 incorrect
T41_P22.M07 0.085 0.815 0.360 0.583 0.400 0.067 1086.7 2.162 2 12.408 5.943 7.204 79.18 95.80 2.395 0.603 incorrect
T41_P45.M09 0.085 0.898 0.560 0.708 0.333 0.150 1438.7 10.280 5 12.909 4.790 5.490 53.26 94.90 1.094 0.649 incorrect
T41_P45.M06 0.102 0.891 0.720 0.792 0.053 0.095 1342.8 8.688 13 12.952 6.592 6.998 68.08 94.90 0.639 0.617 incorrect
T41_P36.M04 0.356 0.588 0.520 0.708 0.381 0.150 1394.0 9.012 10 13.017 4.295 5.050 66.15 94.90 1.124 0.698 incorrect
T41_P40.M02 0.085 0.861 0.520 0.667 0.235 0.158 1145.5 4.249 17 13.196 7.382 7.624 93.88 94.90 1.423 0.613 incorrect
T41_P17.M03 0.220 0.698 0.640 0.625 0.238 0.211 1314.0 10.956 13 13.198 5.137 5.697 50.79 95.80 1.106 0.621 incorrect
T41_P36.M05 0.373 0.607 0.680 0.708 0.261 0.150 1495.9 9.592 11 13.294 4.315 5.009 65.02 94.90 1.139 0.812 incorrect
T41_P25.M08 0.153 0.796 0.520 0.667 0.316 0.158 1393.0 6.406 15 13.478 6.869 7.248 81.58 94.90 1.057 0.766 incorrect
T41_P25.M07 0.153 0.796 0.480 0.667 0.333 0.000 1364.5 4.483 12 13.677 6.984 7.401 88.14 94.90 1.161 0.845 incorrect
T41_P08.M07 0.339 0.692 0.680 0.708 0.320 0.190 1630.9 9.596 10 13.724 4.617 5.442 69.56 94.90 1.173 1.150 incorrect
T41_P19.M02 0.068 0.913 0.520 0.708 0.350 0.292 1497.1 11.334 5 13.929 5.384 5.872 54.70 94.90 1.105 0.620 incorrect
T41_P45.M04 0.085 0.839 0.480 0.667 0.143 0.059 1035.4 6.910 12 14.186 7.326 7.613 94.74 94.90 1.048 0.619 incorrect
T41_P10.M02 0.186 0.725 0.600 0.583 0.250 0.177 1161.3 9.530 4 14.976 5.896 6.592 87.58 94.90 1.065 0.569 incorrect
T41_P36.M02 0.288 0.702 0.640 0.708 0.360 0.227 1564.8 11.177 11 15.410 4.897 5.650 76.89 94.90 1.107 0.889 incorrect
T41_P24.M03 0.051 0.875 0.360 0.583 0.182 0.222 731.4 15.214 15 15.736 4.900 5.426 26.61 94.90 1.065 0.569 incorrect
T41_P36.M08 0.305 0.667 0.520 0.667 0.435 0.200 1326.0 12.225 10 16.397 4.908 5.589 77.65 94.90 1.118 0.746 incorrect
T41_P24.M10 0.051 0.824 0.360 0.500 0.182 0.200 821.3 14.826 11 16.783 6.024 6.532 53.93 94.90 1.064 0.569 incorrect
T41_P36.M01 0.322 0.708 0.560 0.667 0.364 0.238 1529.0 12.299 10 16.816 5.205 5.978 84.03 94.90 1.123 0.847 incorrect
T41_P36.M03 0.322 0.708 0.560 0.667 0.364 0.238 1528.9 12.299 10 16.816 5.205 5.978 84.03 94.90 1.123 0.847 incorrect
T41_P28.M06 0.034 0.946 0.440 0.625 0.353 0.167 1129.7 9.053 15 17.143 9.354 9.821 122.28 95.80 1.065 0.569 incorrect
T41_P17.M07 0.102 0.861 0.680 0.833 0.000 0.130 1275.7 3.897 7 17.151 10.666 11.284 172.59 95.80 1.086 0.614 incorrect
T41_P12.M08 0.068 0.846 0.240 0.583 0.455 0.000 918.8 4.165 6 17.184 10.263 10.825 153.95 95.80 1.342 0.613 incorrect
T41_P28.M04 0.102 0.769 0.560 0.458 0.177 0.214 954.2 7.717 6 17.463 9.795 10.214 135.80 95.80 1.065 0.569 incorrect
T41_P04.M09 0.237 0.778 0.680 0.583 0.190 0.391 1647.2 15.887 49 17.488 4.326 5.505 48.03 94.90 1.069 0.603 incorrect
T41_P08.M03 0.237 0.823 0.920 0.708 0.207 0.469 2090.7 16.246 5 17.518 5.132 5.831 44.79 94.90 1.491 1.124 incorrect
T41_P32.M01 0.017 0.969 0.120 0.500 0.786 0.143 1047.8 9.653 2 17.597 9.219 9.838 113.42 95.80 1.325 0.664 incorrect
T41_P32.M09 0.153 0.735 0.640 0.667 0.059 0.273 1273.9 16.505 4 17.741 4.534 5.252 39.98 95.80 1.311 0.688 incorrect
T41_P24.M05 0.085 0.844 0.600 0.458 0.118 0.421 1041.1 17.508 10 17.902 5.087 5.591 22.06 94.90 1.064 0.569 incorrect
T41_P15.M09 0.034 0.954 0.120 0.750 0.833 0.143 1324.2 6.362 5 17.906 7.748 8.863 116.87 95.80 0.657 0.615 incorrect
T41_P19.M03 0.119 0.854 0.640 0.458 0.238 0.389 1367.6 12.323 6 18.112 7.613 8.111 100.03 94.90 1.079 0.614 incorrect
T41_P12.M07 0.102 0.867 0.800 0.500 0.091 0.429 1576.4 16.788 3 18.208 5.524 6.154 50.93 95.80 1.342 0.613 incorrect
T41_P40.M09 0.153 0.791 0.680 0.583 0.000 0.125 1238.4 16.114 14 18.577 6.978 7.302 67.51 94.90 1.316 0.613 incorrect
T41_P22.M02 0.017 0.960 0.400 0.625 0.375 0.118 1073.4 12.301 3 18.651 8.779 10.128 102.78 95.80 2.395 0.603 incorrect
T41_P12.M10 0.136 0.790 0.680 0.667 0.150 0.200 1230.4 15.426 13 18.659 7.581 7.796 79.50 94.90 1.342 0.698 incorrect
T41_P10.M08 0.119 0.825 0.600 0.542 0.250 0.316 1326.7 12.039 8 18.923 9.178 9.583 118.05 94.90 1.065 0.569 incorrect
T41_P23.M05 0.034 0.954 0.760 0.500 0.136 0.400 1640.3 7.601 9 19.016 10.663 11.727 172.03 94.90 1.160 0.569 incorrect
T41_P04.M10 0.170 0.800 0.640 0.667 0.200 0.304 1451.3 17.212 37 19.403 5.106 6.318 60.66 94.90 1.064 0.661 incorrect
T41_P17.M10 0.034 0.920 0.520 0.500 0.235 0.000 833.8 11.428 5 19.526 10.639 11.384 160.59 95.80 1.076 0.620 incorrect
T41_P27.M05 0.107 0.917 0.760 0.625 0.269 0.444 2281.4 10.235 23 19.641 10.640 11.444 170.80 94.90 1.068 0.574 incorrect
T41_P32.M10 0.119 0.800 0.600 0.625 0.250 0.348 1359.0 18.834 8 20.639 5.486 6.201 56.18 95.80 1.297 0.687 incorrect
T41_P12.M04 0.000 1.000 0.560 0.458 0.125 0.389 1095.0 10.773 6 20.790 10.692 11.294 169.35 95.80 1.342 0.613 incorrect
T41_P40.M06 0.034 0.964 0.760 0.583 0.136 0.417 1662.7 10.138 20 20.900 10.762 11.307 178.65 94.90 1.273 0.613 incorrect
T41_P19.M06 0.051 0.943 0.600 0.667 0.400 0.273 1450.7 16.901 3 21.008 7.314 8.119 93.40 94.90 1.106 0.615 incorrect
T41_P25.M06 0.051 0.939 0.640 0.833 0.111 0.000 1370.7 12.641 14 21.219 10.898 11.510 165.61 94.90 1.067 0.852 incorrect
T41_P25.M05 0.085 0.896 0.720 0.708 0.143 0.056 1453.2 12.527 19 21.436 10.926 11.584 165.96 94.90 1.106 0.823 incorrect
T41_P22.M01 0.017 0.974 0.560 0.708 0.222 0.105 1366.2 12.656 1 21.594 10.803 11.802 178.01 95.80 2.395 0.603 incorrect
T41_P32.M05 0.000 1.000 0.000 0.708 1.000 0.150 1321.2 12.166 6 21.783 9.778 10.973 158.85 95.80 1.320 0.679 incorrect
T41_P27.M06 0.089 0.929 0.680 0.667 0.393 0.407 2315.8 15.348 33 22.224 10.443 11.547 169.61 94.90 1.076 0.597 incorrect
T41_P04.M03 0.051 0.962 0.160 0.833 0.833 0.375 2220.9 15.280 47 22.351 7.579 9.065 125.41 94.90 1.067 0.613 incorrect
T41_P24.M02 0.051 0.850 0.480 0.500 0.000 0.077 753.0 15.946 11 22.757 11.166 11.827 176.23 94.90 1.065 0.569 incorrect
T41_P43.M05 0.051 0.933 0.360 0.500 0.471 0.400 1230.9 21.385 56 22.958 6.476 7.196 57.32 95.80 1.073 0.629 incorrect
T41_P27.M03 0.250 0.759 0.600 0.583 0.375 0.417 1974.0 19.205 3 23.100 6.225 7.214 97.69 94.90 1.077 0.582 incorrect
T41_P27.M01 0.232 0.783 0.520 0.542 0.381 0.458 1894.3 19.183 13 23.250 6.296 7.285 99.56 94.90 1.089 0.587 incorrect
T41_P32.M04 0.153 0.763 0.480 0.458 0.200 0.312 1212.9 20.381 1 23.313 5.287 6.130 74.26 95.80 1.311 0.696 incorrect
T41_P42.M06 0.034 0.929 0.560 0.667 0.222 0.059 1093.2 15.678 5 23.371 10.860 11.736 169.05 94.90 1.065 0.569 incorrect
T41_P32.M06 0.017 0.974 0.400 0.417 0.412 0.500 1439.5 15.447 5 23.515 10.702 11.320 134.46 95.80 1.311 0.666 incorrect
T41_P10.M04 0.068 0.907 0.600 0.542 0.250 0.133 1064.2 19.334 21 23.810 8.603 9.217 116.65 94.90 1.065 0.569 incorrect
T41_P32.M08 0.000 1.000 0.440 0.500 0.312 0.200 1076.7 19.197 8 24.225 8.740 9.442 111.39 95.80 1.345 0.692 incorrect
T41_P27.M09 0.000 1.000 0.600 0.583 0.483 0.500 2166.2 18.289 42 24.362 11.000 12.020 165.95 94.90 1.209 0.592 incorrect
T41_P40.M05 0.068 0.909 0.880 0.792 0.083 0.050 1498.6 17.696 20 24.436 11.631 12.050 175.56 94.90 1.414 0.613 incorrect
T41_P04.M05 0.000 1.000 0.000 0.208 1.000 0.615 854.1 19.503 13 24.981 10.932 12.201 116.81 94.90 1.057 0.659 incorrect
T41_P17.M04 0.051 0.912 0.440 0.667 0.267 0.238 1198.3 19.521 4 25.046 10.767 11.233 141.73 95.80 1.095 0.603 incorrect
T41_P27.M02 0.196 0.788 0.520 0.542 0.381 0.409 1844.8 20.908 8 25.074 6.735 7.749 106.86 94.90 1.086 0.583 incorrect
T41_P32.M02 0.136 0.809 0.440 0.542 0.389 0.350 1286.8 21.425 3 25.207 6.119 6.929 93.22 95.80 1.337 0.705 incorrect
T41_P44.M05 0.017 0.985 0.480 0.583 0.556 0.517 2104.6 22.502 47 25.331 10.602 11.043 84.35 94.90 1.065 0.569 incorrect
T41_P32.M03 0.000 1.000 0.040 0.333 0.929 0.579 843.6 21.135 1 25.412 10.015 10.713 91.87 95.80 1.331 0.672 incorrect
T41_P24.M09 0.017 0.981 0.680 0.375 0.261 0.679 1596.3 23.887 29 25.650 8.378 8.952 71.43 94.90 1.065 0.569 incorrect
T41_P31.M10 0.085 0.921 0.480 0.583 0.500 0.364 1805.0 22.030 14 26.055 10.850 11.887 117.63 94.90 0.904 0.812 incorrect
T41_P24.M08 0.000 1.000 0.440 0.500 0.500 0.500 1610.8 24.046 25 26.627 10.986 11.486 82.14 94.90 1.065 0.569 incorrect
T41_P22.M04 0.000 1.000 0.880 0.417 0.241 0.697 2119.6 25.054 14 26.951 8.773 9.484 76.73 94.90 1.065 0.569 incorrect
T41_P24.M04 0.051 0.800 0.280 0.458 0.222 0.154 523.1 21.288 4 26.999 11.546 12.212 179.76 94.90 1.065 0.569 incorrect
T41_P23.M10 0.000 1.000 0.600 0.458 0.400 0.667 1949.3 23.871 10 27.237 7.809 8.828 84.87 94.90 1.226 0.569 incorrect
T41_P36.M10 0.085 0.853 0.440 0.583 0.214 0.300 1072.7 21.783 6 27.349 10.943 11.677 156.19 94.90 1.100 0.780 incorrect
T41_P07.M08 0.000 1.000 0.520 0.458 0.350 0.560 1349.7 23.644 14 27.410 7.270 8.070 94.01 81.70 0.615 0.459 incorrect
T41_P32.M07 0.085 0.907 0.600 0.500 0.211 0.571 1619.7 21.301 4 27.501 12.056 12.960 175.30 95.80 1.308 0.751 incorrect
T41_P09.M01 0.000 1.000 0.200 0.292 0.706 0.462 759.5 23.560 3 27.587 9.619 10.507 99.04 94.90 1.064 0.569 incorrect
T41_P28.M03 0.000 1.000 0.600 0.292 0.250 0.720 1580.5 26.514 26 27.820 7.485 8.116 53.65 95.80 1.065 0.569 incorrect
T41_P04.M04 0.051 0.963 0.760 0.667 0.345 0.543 1992.4 24.741 46 27.901 8.514 9.368 97.50 94.90 1.098 0.613 incorrect
T41_P28.M07 0.034 0.931 0.640 0.583 0.238 0.222 1234.6 22.731 11 27.909 11.734 12.434 176.01 95.80 1.065 0.569 incorrect
T41_P25.M10 0.102 0.902 0.800 0.792 0.167 0.345 1740.3 22.600 19 27.978 11.656 12.422 162.28 94.90 1.071 0.820 incorrect
T41_P36.M09 0.017 0.977 0.240 0.500 0.600 0.455 1357.4 23.838 11 28.753 10.646 11.540 145.68 94.90 1.064 0.784 incorrect
T41_P19.M09 0.051 0.950 0.600 0.542 0.375 0.500 1679.1 23.828 6 28.831 11.636 12.492 173.55 94.90 1.095 0.582 incorrect
T41_P25.M09 0.068 0.936 0.880 0.833 0.214 0.355 1981.2 23.781 14 28.952 11.734 12.235 163.25 94.90 1.035 0.966 incorrect
T41_P44.M10 0.000 1.000 0.080 0.458 0.923 0.645 1861.0 24.947 76 28.972 11.192 12.163 100.02 94.90 1.064 0.569 incorrect
T41_P44.M07 0.000 1.000 0.040 0.458 0.958 0.621 1743.7 25.249 28 29.052 11.100 12.067 97.95 94.90 1.064 0.569 incorrect
T41_P40.M10 0.000 1.000 0.080 0.458 0.900 0.450 1393.3 23.173 25 29.220 9.891 10.777 158.31 94.90 1.455 0.613 incorrect
T41_P44.M03 0.000 1.000 0.080 0.458 0.923 0.621 1833.1 25.282 66 29.312 11.186 12.160 101.36 94.90 1.065 0.569 incorrect
T41_P44.M09 0.000 1.000 0.080 0.458 0.920 0.621 1767.0 25.475 43 29.414 11.303 12.281 99.98 94.90 1.065 0.569 incorrect
T41_P44.M02 0.000 1.000 0.080 0.500 0.926 0.625 1924.9 25.409 54 29.492 11.143 12.141 103.21 94.90 1.065 0.569 incorrect
T41_P44.M08 0.000 1.000 0.080 0.417 0.923 0.643 1776.5 25.603 34 29.619 11.177 12.164 102.62 94.90 1.065 0.569 incorrect
T41_P28.M02 0.000 1.000 0.400 0.375 0.600 0.609 1786.2 28.327 18 29.665 9.658 10.281 58.96 95.80 1.065 0.569 incorrect
T41_P24.M07 0.034 0.944 0.240 0.542 0.455 0.458 1154.7 25.141 18 30.091 11.264 12.112 164.87 94.90 1.065 0.569 incorrect
T41_P43.M03 0.085 0.907 0.600 0.583 0.167 0.263 1179.6 27.108 79 30.268 9.130 9.756 104.74 95.80 1.073 0.629 incorrect
T41_P12.M06 0.000 1.000 0.080 0.375 0.889 0.550 1289.3 24.337 5 30.277 10.265 11.128 165.04 95.80 1.342 0.613 incorrect
T41_P12.M02 0.068 0.922 0.760 0.750 0.240 0.333 1766.4 25.372 9 30.337 12.023 12.841 169.01 95.80 1.342 0.613 incorrect
T41_P10.M01 0.000 1.000 0.560 0.375 0.263 0.357 1013.0 26.422 19 30.480 11.255 11.838 141.76 94.90 1.065 0.569 incorrect
T41_P40.M03 0.068 0.930 0.760 0.792 0.208 0.424 1872.0 25.807 25 30.776 11.925 12.303 166.03 94.90 1.154 0.613 incorrect
T41_P19.M05 0.017 0.973 0.560 0.542 0.263 0.458 1478.3 26.441 6 31.081 12.022 12.805 174.32 94.90 1.088 0.603 incorrect
T41_P19.M01 0.051 0.958 0.840 0.708 0.276 0.540 2354.4 26.922 10 31.349 11.620 12.260 152.55 94.90 1.135 0.627 incorrect
T41_P19.M08 0.051 0.936 0.640 0.458 0.238 0.500 1569.0 27.187 3 31.647 12.069 12.910 165.83 94.90 1.082 0.592 incorrect
T41_P07.M09 0.000 1.000 0.360 0.583 0.640 0.576 1844.4 27.063 22 31.802 10.232 11.136 133.94 81.70 0.615 0.459 incorrect
T41_P19.M10 0.051 0.960 0.640 0.667 0.467 0.500 2349.7 27.622 16 32.590 11.855 12.679 177.24 94.90 1.162 0.631 incorrect
T41_P20.M04 0.000 1.000 0.000 0.583 1.000 0.481 1663.1 27.528 17 32.624 12.505 13.486 134.62 94.90 1.083 0.584 incorrect
T41_P08.M09 0.068 0.963 0.720 0.583 0.471 0.641 2666.3 28.442 12 32.688 11.194 12.058 142.20 94.90 1.493 1.015 incorrect
T41_P20.M01 0.034 0.971 0.440 0.500 0.560 0.556 1896.5 28.488 16 32.877 10.970 11.985 146.47 94.90 1.100 0.589 incorrect
T41_P09.M02 0.000 1.000 0.080 0.167 0.857 0.692 631.4 28.366 1 33.186 11.364 12.160 167.30 94.90 1.065 0.569 incorrect
T41_P20.M05 0.000 1.000 0.000 0.583 1.000 0.533 1731.9 28.323 15 33.231 12.697 13.604 132.38 94.90 1.063 0.581 incorrect
T41_P09.M04 0.017 0.957 0.480 0.458 0.250 0.450 871.8 29.243 1 33.318 11.606 12.306 150.64 94.90 1.064 0.569 incorrect
T41_P20.M03 0.000 1.000 0.040 0.542 0.958 0.594 1852.2 28.347 15 33.478 12.682 13.644 141.41 94.90 1.058 0.578 incorrect
T41_P12.M03 0.017 0.983 0.680 0.458 0.370 0.621 1968.4 29.052 9 33.650 12.105 12.957 172.02 95.80 1.342 0.613 incorrect
T41_P19.M07 0.017 0.985 0.440 0.542 0.542 0.606 1965.9 29.467 7 33.795 11.534 12.383 155.06 94.90 1.100 0.609 incorrect
T41_P40.M07 0.017 0.979 0.360 0.292 0.550 0.696 1406.6 29.415 18 33.923 12.107 12.645 177.91 94.90 1.274 0.613 incorrect
T41_P28.M08 0.051 0.940 0.640 0.458 0.273 0.560 1688.6 30.183 17 34.156 11.813 12.440 152.45 95.80 1.065 0.569 incorrect
T41_P20.M07 0.000 1.000 0.160 0.417 0.818 0.697 2109.2 30.228 21 34.182 12.813 13.708 153.22 94.90 1.073 0.579 incorrect
T41_P07.M01 0.000 1.000 0.040 0.417 0.952 0.615 1620.1 30.032 17 34.209 12.610 13.571 137.19 81.70 0.615 0.459 incorrect
T41_P20.M06 0.000 1.000 0.040 0.417 0.958 0.655 1719.9 29.125 10 34.299 12.893 13.895 147.02 94.90 1.068 0.581 incorrect
T41_P20.M02 0.000 1.000 0.040 0.417 0.958 0.667 1756.1 29.199 10 34.306 12.916 13.913 144.94 94.90 1.083 0.577 incorrect
T41_P43.M04 0.085 0.898 0.640 0.458 0.360 0.522 1423.9 31.561 77 34.373 9.376 9.964 106.14 95.80 1.074 0.629 incorrect
T41_P20.M10 0.000 1.000 0.040 0.458 0.960 0.667 2028.8 29.702 25 34.650 12.974 13.961 145.99 94.90 1.078 0.576 incorrect
T41_P20.M09 0.000 1.000 0.160 0.292 0.840 0.767 2151.0 30.431 26 34.678 13.159 14.089 154.87 94.90 1.061 0.584 incorrect
T41_P40.M04 0.051 0.958 0.560 0.458 0.481 0.633 2037.2 30.448 37 34.748 13.087 13.511 161.85 94.90 1.189 0.613 incorrect
T41_P43.M06 0.085 0.909 0.720 0.500 0.217 0.500 1652.3 32.013 60 34.792 9.214 9.866 103.42 95.80 1.072 0.629 incorrect
T41_P08.M10 0.017 0.989 0.520 0.583 0.567 0.588 2374.3 30.433 7 34.809 11.798 12.747 157.78 94.90 1.559 1.199 incorrect
T41_P20.M08 0.000 1.000 0.040 0.417 0.958 0.688 2023.7 29.878 22 34.873 12.983 13.971 146.33 94.90 1.076 0.584 incorrect
T41_P24.M06 0.000 1.000 0.000 0.583 1.000 0.440 1347.1 30.392 22 35.629 12.677 13.784 158.66 94.90 1.065 0.569 incorrect
T41_P07.M07 0.000 1.000 0.600 0.167 0.483 0.846 1891.6 32.660 23 35.673 11.358 12.298 118.64 81.70 0.615 0.459 incorrect
T41_P04.M06 0.017 0.968 0.360 0.250 0.400 0.714 1006.9 33.609 30 36.026 8.819 10.081 93.06 94.90 1.071 0.606 incorrect
T41_P07.M06 0.000 1.000 0.040 0.458 0.952 0.577 1447.0 30.881 9 36.066 13.192 14.532 158.58 81.70 0.615 0.459 incorrect
T41_P04.M07 0.000 1.000 0.000 0.333 1.000 0.667 1240.4 32.628 15 36.124 13.818 14.736 123.70 94.90 1.055 0.632 incorrect
T41_P09.M06 0.000 1.000 0.200 0.167 0.643 0.750 499.9 32.373 2 36.671 12.003 13.208 178.32 94.90 1.065 0.569 incorrect
T41_P07.M05 0.000 1.000 0.000 0.333 1.000 0.733 1629.5 32.675 31 36.964 12.766 13.813 148.74 81.70 0.615 0.459 incorrect
T41_P09.M05 0.000 1.000 0.160 0.125 0.600 0.800 732.8 34.014 6 37.192 13.258 13.968 128.33 94.90 1.065 0.569 incorrect
T41_P13.M09 0.000 1.000 0.000 0.125 1.000 0.727 804.8 35.188 8 38.283 13.740 14.146 120.88 94.90 1.072 0.578 incorrect
T41_P04.M08 0.068 0.892 0.360 0.292 0.357 0.632 1202.5 35.249 25 38.290 9.708 11.064 115.15 94.90 1.082 0.674 incorrect
T41_P40.M08 0.051 0.957 0.560 0.333 0.481 0.724 2056.3 35.487 33 38.898 10.107 10.603 133.45 94.90 1.403 0.613 incorrect
T41_P12.M05 0.068 0.944 0.520 0.375 0.519 0.719 2412.4 36.018 7 39.181 9.977 10.846 125.50 95.80 1.342 0.613 incorrect
T41_P22.M06 0.068 0.939 0.440 0.375 0.607 0.710 2347.6 37.057 5 40.288 9.891 11.150 124.24 95.80 2.395 0.603 incorrect
T41_P09.M09 0.000 1.000 0.240 0.042 0.571 0.900 698.9 36.899 2 40.506 13.224 14.628 157.96 94.90 1.066 0.569 incorrect
T41_P07.M10 0.017 0.977 0.560 0.333 0.391 0.636 1314.3 38.134 6 41.350 13.880 15.250 159.14 81.70 0.615 0.459 incorrect
T41_P07.M03 0.051 0.960 0.960 0.333 0.273 0.771 2083.8 40.774 31 43.255 12.178 12.531 118.88 81.70 0.615 0.459 incorrect
T41_P07.M04 0.017 0.980 0.840 0.167 0.192 0.818 1526.1 40.802 12 43.343 12.689 12.967 123.84 81.70 0.615 0.459 incorrect
T41_P10.M06 0.000 1.000 0.560 0.000 0.300 1.000 1517.2 40.836 9 43.524 13.593 14.205 110.54 94.90 1.065 0.569 incorrect
T41_P10.M03 0.000 1.000 0.480 0.000 0.294 1.000 1134.6 45.350 19 47.722 13.542 13.701 110.25 94.90 1.065 0.569 incorrect
T41_P44.M06 0.000 1.000 0.680 0.000 0.190 1.000 1623.6 45.214 69 47.900 14.169 14.779 114.84 94.90 1.065 0.569 incorrect
T41_P28.M09 0.000 1.000 0.640 0.000 0.200 1.000 1406.8 47.326 33 50.252 13.617 14.799 154.12 95.80 0.586 0.581 incorrect
T41_P10.M07 0.000 1.000 0.520 0.000 0.133 1.000 905.9 49.009 2 50.259 14.501 15.005 81.92 94.90 1.065 0.569 incorrect
T41_P24.M01 0.000 1.000 0.520 0.000 0.278 1.000 1195.1 47.782 21 50.623 14.299 14.539 135.92 94.90 1.065 0.569 incorrect
T41_P13.M06 0.000 1.000 0.000 0.000 1.000 1.000 899.4 48.906 9 51.088 18.145 18.531 125.80 94.90 1.073 0.577 incorrect
T41_P09.M08 0.000 1.000 0.080 0.000 0.875 1.000 669.8 48.789 3 51.618 16.771 17.690 122.05 94.90 1.065 0.569 incorrect
T41_P13.M07 0.000 1.000 0.000 0.000 1.000 1.000 1047.3 49.732 39 51.969 17.882 18.585 129.91 94.90 1.077 0.583 incorrect
T41_P10.M05 0.000 1.000 0.440 0.000 0.312 1.000 1006.5 50.887 13 51.980 14.362 15.169 74.69 94.90 1.065 0.569 incorrect
T41_P13.M10 0.000 1.000 0.000 0.000 1.000 1.000 1259.9 49.581 45 52.130 17.959 19.044 130.18 94.90 1.093 0.577 incorrect
T41_P09.M03 0.000 1.000 0.200 0.000 0.615 1.000 731.1 50.472 3 52.373 14.824 15.426 104.57 94.90 1.065 0.569 incorrect
T41_P28.M10 0.000 1.000 0.520 0.000 0.133 1.000 1180.6 50.071 18 52.983 14.173 14.440 149.82 95.80 0.586 0.581 incorrect
T41_P04.M01 0.000 1.000 0.200 0.000 0.783 1.000 1757.7 53.230 61 54.425 17.323 18.622 76.79 94.90 1.077 0.586 incorrect
T41_P10.M10 0.000 1.000 0.480 0.000 0.250 1.000 935.4 52.840 27 55.780 14.628 15.902 156.31 94.90 1.065 0.569 incorrect
T41_P13.M05 0.000 1.000 0.120 0.000 0.857 1.000 1232.0 53.709 31 56.747 16.762 18.456 168.84 94.90 1.082 0.578 incorrect
T41_P09.M07 0.000 1.000 0.200 0.000 0.500 1.000 712.1 57.823 7 59.726 17.133 17.540 122.37 94.90 1.064 0.569 incorrect
T41_P09.M10 0.000 1.000 0.320 0.000 0.200 1.000 613.8 58.481 0 60.839 16.438 17.582 139.01 94.90 1.064 0.569 incorrect

Acceptable predictions 67, remaining 80 predictions

Acceptable predictions:

(((f(nat) >= 0.1) && (f(nat) < 0.3)) && ((L_rmsd <= 10.0) || (I_rmsdbb <= 4.0)) || ((f(nat) >= 0.3) && (L_rmsd > 5.0) && (I_rmsdbb > 2.0)))
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)
T41_P42.M05 0.237 0.702 0.600 0.833 0.211 0.091 1371.0 3.351 6 4.955 3.088 4.077 20.01 94.90 1.814 1.396 acceptable
T41_P42.M09 0.339 0.623 0.800 0.875 0.167 0.087 1666.1 1.741 11 5.174 2.961 3.726 32.75 94.90 1.660 1.608 acceptable
T41_P23.M08 0.254 0.500 0.640 0.750 0.111 0.053 1303.8 2.814 6 5.302 2.283 3.186 29.38 94.90 1.065 0.569 acceptable
T41_P31.M06 0.356 0.533 0.680 0.667 0.261 0.000 1386.3 1.650 9 5.321 2.936 3.818 35.45 94.90 0.929 0.873 acceptable
T41_P41.M09 0.610 0.294 0.720 0.917 0.143 0.083 1550.1 3.923 11 5.440 2.078 2.897 21.26 95.80 1.427 1.023 acceptable
T41_P23.M03 0.441 0.350 0.720 0.792 0.053 0.095 1270.9 4.443 8 5.839 2.242 3.397 25.85 94.90 1.065 0.569 acceptable
T41_P42.M02 0.271 0.628 0.680 0.750 0.261 0.000 1312.8 2.363 3 5.927 3.560 4.614 32.56 94.90 1.897 1.248 acceptable
T41_P42.M01 0.322 0.269 0.600 0.625 0.118 0.062 1064.1 3.907 2 6.523 2.807 3.724 36.17 94.90 1.065 0.569 acceptable
T41_P02.M10 0.322 0.655 0.800 0.833 0.130 0.130 1537.1 4.798 15 6.595 2.838 3.469 30.94 94.90 1.086 0.736 acceptable
T41_P23.M01 0.576 0.346 0.840 0.833 0.160 0.130 1529.0 4.690 7 6.941 2.374 3.481 33.96 94.90 1.016 0.569 acceptable
T41_P23.M06 0.644 0.309 0.880 0.833 0.154 0.130 1545.2 4.840 8 6.954 2.293 3.418 32.81 94.90 1.017 0.569 acceptable
T41_P11.M10 0.288 0.514 0.760 0.708 0.050 0.190 1283.4 6.539 8 6.970 2.172 3.310 13.42 94.10 0.957 0.614 acceptable
T41_P41.M03 0.576 0.414 0.880 0.875 0.154 0.192 1633.8 5.390 9 7.088 2.188 2.932 26.96 95.80 1.739 0.654 acceptable
T41_P02.M01 0.576 0.485 0.920 0.792 0.080 0.269 1899.3 6.571 24 7.165 2.025 2.752 17.10 94.90 1.238 0.879 acceptable
T41_P25.M01 0.576 0.485 0.920 0.792 0.080 0.269 1901.1 6.571 24 7.165 2.025 2.752 17.10 94.90 1.238 0.879 acceptable
T41_P13.M03 0.339 0.677 0.560 0.708 0.300 0.105 1462.5 1.750 73 7.170 3.580 4.236 44.29 94.90 1.089 0.658 acceptable
T41_P02.M06 0.525 0.523 0.920 0.792 0.042 0.240 1736.1 6.536 15 7.197 2.098 2.937 18.47 94.90 1.216 0.953 acceptable
T41_P22.M05 0.492 0.356 0.800 0.833 0.167 0.130 1466.4 5.413 5 7.230 2.147 3.162 31.05 94.90 1.065 0.569 acceptable
T41_P41.M10 0.627 0.339 0.720 0.917 0.143 0.083 1548.4 5.355 12 7.237 2.332 3.105 27.89 95.80 1.404 1.063 acceptable
T41_P41.M07 0.576 0.424 0.760 0.917 0.208 0.154 1629.4 5.559 70 7.337 2.064 2.935 28.12 95.80 1.306 0.642 acceptable
T41_P31.M09 0.203 0.733 0.360 0.667 0.438 0.111 1189.8 2.845 10 7.493 3.574 4.461 43.39 94.90 1.097 0.744 acceptable
T41_P05.M05 0.441 0.527 0.680 0.750 0.261 0.143 1559.7 5.733 12 7.519 2.362 3.448 31.22 95.80 1.232 0.899 acceptable
T41_P41.M04 0.593 0.453 0.840 0.875 0.192 0.160 1736.1 6.151 11 7.547 2.064 3.031 25.55 95.80 1.362 0.657 acceptable
T41_P02.M02 0.542 0.467 0.880 0.875 0.044 0.222 1767.0 7.011 22 7.553 2.180 2.917 16.17 94.90 1.274 0.948 acceptable
T41_P25.M02 0.542 0.467 0.880 0.875 0.044 0.222 1767.8 7.011 22 7.553 2.180 2.917 16.17 94.90 1.274 0.948 acceptable
T41_P42.M04 0.390 0.558 0.760 0.792 0.208 0.208 1600.5 4.592 11 7.612 3.793 4.615 34.53 94.90 2.089 1.496 acceptable
T41_P23.M02 0.610 0.400 0.880 0.875 0.214 0.192 1810.5 5.785 8 7.735 2.280 3.519 32.94 94.90 1.051 0.569 acceptable
T41_P02.M05 0.492 0.473 0.840 0.875 0.045 0.160 1656.2 7.256 21 7.806 2.346 3.087 16.31 94.90 1.476 0.871 acceptable
T41_P08.M01 0.695 0.438 0.840 0.958 0.250 0.115 1939.5 6.344 6 7.894 2.032 2.865 27.00 94.90 1.364 1.071 acceptable
T41_P22.M03 0.559 0.400 0.800 0.792 0.231 0.136 1548.9 5.977 11 7.894 2.245 3.283 33.04 94.90 1.065 0.569 acceptable
T41_P42.M08 0.492 0.408 0.840 0.833 0.160 0.091 1525.7 6.064 11 8.025 2.324 3.231 30.41 94.90 1.702 1.243 acceptable
T41_P19.M04 0.610 0.419 0.840 0.833 0.160 0.130 1614.2 6.499 11 8.081 2.182 3.062 30.61 94.90 1.097 0.622 acceptable
T41_P41.M08 0.475 0.417 0.760 0.833 0.208 0.167 1543.2 6.570 42 8.119 2.127 3.020 27.51 95.80 1.306 0.642 acceptable
T41_P02.M07 0.271 0.360 0.520 0.542 0.133 0.000 923.5 6.858 7 8.283 3.154 3.909 29.28 94.90 1.242 0.779 acceptable
T41_P05.M07 0.627 0.486 0.840 0.875 0.250 0.222 1901.3 6.859 18 8.347 2.300 3.304 28.81 95.80 1.075 1.151 acceptable
T41_P02.M08 0.373 0.621 0.760 0.833 0.174 0.091 1537.6 6.355 19 8.349 3.107 3.605 37.33 94.90 1.068 0.863 acceptable
T41_P02.M09 0.271 0.686 0.720 0.792 0.217 0.174 1503.6 6.789 14 8.490 3.246 3.854 34.81 94.90 1.122 0.940 acceptable
T41_P17.M08 0.339 0.375 0.640 0.708 0.000 0.150 1148.6 7.841 7 8.737 2.763 3.487 23.51 95.80 1.081 0.596 acceptable
T41_P11.M01 0.678 0.452 0.880 0.875 0.267 0.125 1755.7 7.040 24 8.856 2.202 3.053 33.68 94.10 1.137 0.614 acceptable
T41_P23.M07 0.576 0.485 0.880 0.833 0.267 0.200 1873.2 6.849 9 8.927 2.486 3.682 36.46 94.90 1.106 0.569 acceptable
T41_P42.M07 0.288 0.646 0.640 0.667 0.200 0.111 1386.2 7.669 13 9.081 3.866 4.599 30.65 94.90 1.720 1.359 acceptable
T41_P05.M08 0.593 0.470 0.800 0.875 0.167 0.125 1732.5 7.718 12 9.208 2.214 3.300 30.98 95.80 1.128 0.975 acceptable
T41_P05.M10 0.678 0.420 0.840 0.875 0.222 0.192 1775.6 7.655 13 9.210 2.275 3.367 32.63 95.80 1.265 0.861 acceptable
T41_P13.M02 0.271 0.704 0.680 0.750 0.150 0.182 1451.5 8.712 65 9.478 2.994 3.721 24.78 94.90 1.102 0.599 acceptable
T41_P05.M09 0.627 0.486 0.880 0.917 0.120 0.154 1873.4 8.077 16 9.618 2.492 3.543 33.07 95.80 1.238 0.766 acceptable
T41_P44.M04 0.441 0.480 0.720 0.750 0.143 0.100 1368.4 7.878 50 9.923 2.706 3.503 39.92 94.90 1.065 0.569 acceptable
T41_P08.M08 0.475 0.576 0.800 0.875 0.200 0.192 1830.3 8.469 8 10.167 2.460 3.233 33.80 94.90 1.554 0.955 acceptable
T41_P23.M04 0.441 0.447 0.760 0.875 0.136 0.125 1711.4 8.662 10 10.221 2.694 3.839 34.78 94.90 1.323 0.680 acceptable
T41_P25.M04 0.288 0.646 0.720 0.792 0.182 0.208 1522.2 8.642 13 10.293 3.255 3.800 37.73 94.90 1.150 0.859 acceptable
T41_P11.M05 0.254 0.318 0.480 0.500 0.000 0.077 845.5 9.547 11 10.304 2.950 3.741 24.56 94.10 1.071 0.659 acceptable
T41_P05.M06 0.593 0.507 0.840 0.875 0.276 0.222 1768.4 8.622 16 10.364 2.544 3.548 35.66 95.80 1.143 1.039 acceptable
T41_P27.M08 0.571 0.543 0.800 0.875 0.310 0.222 2044.8 9.195 13 10.723 2.483 3.485 34.45 94.90 1.071 0.585 acceptable
T41_P27.M10 0.554 0.537 0.840 0.833 0.276 0.167 2075.9 9.154 22 10.846 2.622 3.596 35.65 94.90 1.223 0.590 acceptable
T41_P27.M04 0.411 0.657 0.760 0.792 0.174 0.174 1907.5 9.447 25 10.855 2.921 3.843 35.56 94.90 1.090 0.579 acceptable
T41_P41.M01 0.390 0.574 0.720 0.833 0.250 0.167 1694.9 8.937 12 10.902 2.810 3.591 36.55 95.80 1.678 0.649 acceptable
T41_P05.M01 0.593 0.407 0.760 0.833 0.269 0.200 1654.4 9.157 13 10.946 2.562 3.554 38.35 95.80 1.124 0.796 acceptable
T41_P17.M01 0.458 0.550 0.840 0.875 0.276 0.192 1546.6 8.655 8 10.997 2.825 3.642 41.23 95.80 1.092 0.629 acceptable
T41_P45.M03 0.525 0.523 0.720 0.875 0.280 0.125 1698.0 9.415 9 11.058 2.672 3.545 35.16 94.90 1.043 0.661 acceptable
T41_P08.M05 0.542 0.475 0.800 0.833 0.167 0.167 1779.8 9.353 5 11.246 2.620 3.511 39.32 94.90 1.535 1.031 acceptable
T41_P17.M05 0.390 0.531 0.680 0.792 0.261 0.136 1395.9 9.408 13 11.514 2.945 3.717 42.97 95.80 1.082 0.621 acceptable
T41_P08.M02 0.542 0.573 0.680 0.875 0.320 0.250 1892.3 9.662 12 11.686 2.842 3.872 41.10 94.90 1.360 0.938 acceptable
T41_P42.M03 0.119 0.708 0.520 0.458 0.133 0.154 910.5 11.155 6 12.440 3.862 4.660 36.26 94.90 1.065 0.569 acceptable
T41_P05.M02 0.525 0.516 0.840 0.833 0.192 0.167 1692.6 10.632 14 12.480 3.173 4.076 42.10 95.80 1.152 0.805 acceptable
T41_P28.M05 0.305 0.571 0.640 0.667 0.059 0.111 1127.5 10.771 15 12.553 3.288 4.155 43.50 95.80 1.065 0.569 acceptable
T41_P17.M06 0.237 0.611 0.560 0.625 0.125 0.167 1218.9 12.643 8 13.538 3.493 4.292 30.56 95.80 1.106 0.603 acceptable
T41_P04.M02 0.220 0.790 0.760 0.583 0.095 0.300 1484.4 15.127 40 16.677 3.909 5.293 43.53 94.90 1.076 0.596 acceptable
T41_P08.M06 0.390 0.693 0.760 0.750 0.269 0.333 1917.8 14.979 10 17.276 3.886 4.976 55.03 94.90 1.305 1.004 acceptable

Medium predictions 58, remaining 22 predictions

Medium predictions:

((((f(nat) >= 0.3) && (f(nat) < 0.5)) && ((L_rmsd <= 5.0) || (I_rmsdbb <= 2.0))) || ((f(nat) >= 0.5) && (L_rmsd > 1.0) && (I_rmsdbb > 1.0)))
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)
T41_P46.M09 0.678 0.333 0.920 0.958 0.042 0.179 1792.5 0.712 8 1.588 1.169 2.348 5.54 94.90 1.110 0.658 medium
T41_P21.M09 0.509 0.434 0.800 0.750 0.091 0.143 1656.1 0.749 2 1.625 1.945 4.122 5.51 95.80 1.100 1.654 medium
T41_P21.M03 0.525 0.311 0.840 0.875 0.192 0.160 1670.5 0.825 7 1.648 2.003 2.981 5.23 95.80 1.124 1.696 medium
T41_P46.M01 0.763 0.348 0.920 0.958 0.080 0.179 1850.6 0.339 8 1.673 1.160 2.314 7.35 94.90 1.095 0.658 medium
T41_P46.M06 0.712 0.344 0.880 0.958 0.044 0.179 1774.5 0.731 6 1.710 1.182 2.367 6.50 94.90 1.116 0.665 medium
T41_P21.M05 0.610 0.333 0.840 0.875 0.125 0.160 1710.1 1.054 8 1.721 1.503 2.546 5.30 95.80 1.046 1.229 medium
T41_P21.M08 0.576 0.320 0.840 0.875 0.160 0.192 1721.8 1.091 6 1.757 2.134 3.972 5.15 95.80 1.063 1.869 medium
T41_P21.M02 0.576 0.382 0.840 0.875 0.125 0.222 1728.4 1.010 5 1.767 1.926 3.476 5.70 95.80 1.092 1.664 medium
T41_P21.M07 0.542 0.418 0.840 0.875 0.160 0.192 1675.9 1.026 9 1.777 1.578 3.628 5.26 95.80 1.148 1.267 medium
T41_P46.M07 0.746 0.343 0.920 0.958 0.042 0.179 1820.0 0.616 9 1.784 1.164 2.339 7.68 94.90 1.098 0.650 medium
T41_P21.M04 0.559 0.377 0.800 0.875 0.167 0.222 1795.5 0.971 9 1.795 1.554 3.059 6.23 95.80 1.075 1.268 medium
T41_P21.M06 0.509 0.400 0.880 0.792 0.214 0.136 1621.2 0.994 6 1.815 2.316 4.166 5.86 95.80 1.146 2.010 medium
T41_P21.M10 0.559 0.340 0.840 0.833 0.087 0.200 1619.6 1.076 4 1.820 2.364 4.137 5.36 95.80 1.152 2.019 medium
T41_P21.M01 0.542 0.373 0.800 0.833 0.091 0.200 1611.2 0.918 7 1.888 2.586 4.219 6.60 95.80 1.220 2.259 medium
T41_P08.M04 0.746 0.353 0.920 0.917 0.080 0.185 1768.6 1.671 5 2.214 1.384 2.641 5.36 94.90 1.180 1.178 medium
T41_P06.M03 0.441 0.333 0.760 0.833 0.000 0.091 1318.6 1.822 25 2.263 1.112 2.597 5.20 94.10 1.070 0.725 medium
T41_P11.M07 0.678 0.184 0.880 0.875 0.044 0.000 1532.6 0.586 17 2.287 1.324 2.324 12.00 94.10 1.342 0.614 medium
T41_P06.M10 0.627 0.351 0.760 0.958 0.174 0.042 1591.5 1.709 25 2.294 1.007 2.476 6.05 94.10 1.144 0.644 medium
T41_P12.M01 0.661 0.152 0.960 0.792 0.040 0.000 1537.8 1.007 10 2.297 1.168 2.381 10.92 95.80 1.342 0.613 medium
T41_P06.M06 0.559 0.411 0.840 0.958 0.087 0.148 1500.7 1.807 21 2.446 1.161 2.697 8.13 94.10 1.105 0.658 medium
T41_P06.M01 0.712 0.354 0.840 1.000 0.125 0.077 1697.3 1.838 38 2.478 1.027 2.552 7.68 94.10 1.132 0.771 medium
T41_P05.M03 0.797 0.356 0.880 0.917 0.185 0.120 1748.2 1.631 14 2.528 1.212 2.298 8.63 95.80 1.394 0.832 medium
T41_P40.M01 0.492 0.383 0.800 0.833 0.091 0.091 1380.4 0.747 14 2.612 1.626 2.538 12.85 94.90 1.459 0.613 medium
T41_P11.M03 0.746 0.154 0.880 0.875 0.120 0.045 1529.7 0.992 19 2.693 1.323 2.350 14.42 94.10 1.342 0.614 medium
T41_P31.M05 0.864 0.121 0.960 0.792 0.077 0.095 1665.5 2.427 9 2.750 1.077 2.139 6.36 94.90 0.890 0.861 medium
T41_P06.M09 0.576 0.443 0.800 0.875 0.130 0.087 1476.4 2.207 27 2.917 1.101 2.730 9.77 94.10 1.111 0.708 medium
T41_P15.M05 0.746 0.137 0.960 0.958 0.040 0.042 1507.5 2.590 9 3.568 1.012 2.180 13.84 95.80 0.643 0.607 medium
T41_P45.M01 0.932 0.203 1.000 0.958 0.107 0.042 1675.0 3.041 15 3.583 1.063 2.023 11.58 94.90 0.624 0.634 medium
T41_P02.M03 0.576 0.346 0.880 0.875 0.083 0.045 1606.0 3.147 16 3.613 1.713 2.627 8.82 94.90 1.263 0.810 medium
T41_P25.M03 0.576 0.346 0.880 0.875 0.083 0.045 1604.7 3.147 16 3.613 1.713 2.627 8.82 94.90 1.263 0.810 medium
T41_P02.M04 0.576 0.403 0.920 0.875 0.115 0.160 1707.6 3.281 12 3.728 1.444 2.477 8.12 94.90 1.293 0.722 medium
T41_P15.M10 0.712 0.143 0.920 0.958 0.000 0.042 1482.8 3.667 7 4.020 1.262 2.210 10.57 95.80 0.625 0.610 medium
T41_P11.M09 0.712 0.323 0.840 0.958 0.160 0.080 1637.0 2.860 24 4.281 1.451 2.700 18.02 94.10 1.078 0.614 medium
T41_P41.M06 0.542 0.385 0.680 0.833 0.105 0.091 1486.9 2.494 54 4.299 1.866 2.777 18.72 95.80 1.306 0.642 medium
T41_P15.M06 0.712 0.192 0.960 0.958 0.040 0.042 1528.2 3.257 9 4.409 1.191 2.308 16.97 95.80 0.634 0.590 medium
T41_P45.M10 0.898 0.253 0.960 1.000 0.111 0.077 1821.0 3.400 12 4.739 1.512 2.309 19.03 94.90 0.630 0.671 medium
T41_P06.M05 0.305 0.526 0.640 0.667 0.000 0.000 1007.0 2.425 17 4.765 2.449 3.721 28.75 94.10 1.143 0.721 medium
T41_P17.M02 0.458 0.386 0.760 0.833 0.095 0.048 1347.5 3.831 8 4.812 1.728 2.706 17.44 95.80 1.082 0.596 medium
T41_P41.M02 0.475 0.364 0.760 0.875 0.136 0.045 1382.9 3.584 13 4.827 1.970 2.931 17.24 95.80 1.513 0.650 medium
T41_P06.M02 0.525 0.415 0.720 0.917 0.280 0.083 1522.3 3.821 25 4.836 1.424 2.921 16.31 94.10 1.112 0.686 medium
T41_P11.M06 0.627 0.339 0.880 0.875 0.154 0.045 1628.2 3.722 16 4.896 1.433 2.747 18.32 94.10 0.997 0.614 medium
T41_P23.M09 0.593 0.375 0.840 0.875 0.192 0.087 1666.3 3.467 10 4.955 1.752 2.856 20.78 94.90 1.156 0.634 medium
T41_P11.M02 0.729 0.368 0.800 0.917 0.200 0.044 1689.8 3.704 29 4.961 1.524 2.745 18.76 94.10 1.078 0.614 medium
T41_P46.M10 0.610 0.390 0.880 0.875 0.214 0.087 1614.9 3.557 6 4.983 1.682 2.625 20.04 94.90 1.108 0.628 medium
T41_P16.M07 0.644 0.269 0.920 0.875 0.042 0.045 1458.6 3.676 14 4.999 1.364 2.209 19.80 94.90 0.864 0.827 medium
T41_P46.M08 0.627 0.403 0.880 0.917 0.214 0.120 1660.2 3.643 5 5.008 1.650 2.621 19.84 94.90 1.105 0.624 medium
T41_P46.M04 0.627 0.403 0.880 0.917 0.214 0.120 1665.0 3.688 5 5.050 1.658 2.627 19.90 94.90 1.108 0.628 medium
T41_P46.M03 0.627 0.393 0.880 0.875 0.214 0.160 1690.1 3.807 7 5.284 1.730 2.669 21.05 94.90 1.117 0.630 medium
T41_P06.M07 0.576 0.359 0.920 0.875 0.207 0.045 1524.7 4.534 20 5.313 1.398 2.785 16.04 94.10 0.957 0.723 medium
T41_P16.M10 0.610 0.265 0.800 0.875 0.000 0.000 1450.3 3.920 18 5.324 1.507 2.464 20.97 94.90 0.938 0.925 medium
T41_P46.M02 0.644 0.377 0.880 0.917 0.214 0.154 1691.9 3.986 4 5.362 1.705 2.666 20.76 94.90 1.102 0.625 medium
T41_P06.M04 0.492 0.309 0.800 0.750 0.130 0.053 1306.9 4.350 20 5.486 1.590 2.781 20.55 94.10 1.071 0.742 medium
T41_P12.M09 0.559 0.233 0.760 0.750 0.000 0.053 1299.8 4.779 22 5.745 1.933 2.712 19.51 94.90 1.342 0.686 medium
T41_P05.M04 0.746 0.302 0.920 0.917 0.179 0.083 1727.2 4.800 14 5.844 1.604 2.605 20.10 95.80 1.183 0.829 medium
T41_P46.M05 0.644 0.406 0.840 0.875 0.222 0.160 1711.1 4.564 5 6.056 1.854 2.754 23.24 94.90 1.117 0.641 medium
T41_P11.M08 0.542 0.448 0.840 0.875 0.250 0.045 1577.2 5.520 29 6.779 1.810 3.073 22.40 94.10 1.112 0.614 medium
T41_P27.M07 0.625 0.436 0.880 0.917 0.214 0.120 1966.2 5.732 18 6.858 1.734 2.873 23.25 94.90 1.077 0.580 medium
T41_P11.M04 0.627 0.422 0.880 0.875 0.185 0.125 1630.5 5.579 27 6.937 1.745 2.640 25.58 94.10 1.182 0.614 medium

High quality predictions 25, remaining -3 predictions

High quality predictions:

((f(nat) >= 0.5) && ((L_rmsd <= 1.0) || (I_rmsdbb <= 1.0)))
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)
capri_41_xray 1.000 0.000 1.000 1.000 0.000 0.000 1579.9 0.000 12 0.000 0.000 0.000 0.00 100.00 0.000 0.000 high
T41_P16.M01 0.966 0.123 1.000 1.000 0.000 0.111 1673.7 0.311 10 0.741 0.544 2.092 0.67 94.90 0.664 0.543 high
T41_P16.M06 0.932 0.113 0.960 0.917 0.040 0.044 1628.2 0.371 13 0.798 0.542 1.575 1.57 94.90 0.665 0.540 high
T41_P28.M01 0.932 0.083 1.000 0.958 0.038 0.000 1721.3 0.227 10 0.807 0.554 1.739 3.05 95.80 0.586 0.581 high
T41_P16.M05 0.932 0.098 0.960 1.000 0.000 0.040 1598.1 0.227 9 0.838 0.606 1.782 3.05 94.90 0.628 0.623 high
T41_P15.M01 0.932 0.127 1.000 1.000 0.000 0.040 1687.0 0.258 13 0.869 0.549 1.921 3.25 95.80 0.634 0.582 high
T41_P07.M02 0.915 0.069 0.960 0.875 0.040 0.087 1571.6 0.299 9 0.907 0.524 1.687 3.83 81.70 0.615 0.459 high
T41_P16.M03 0.966 0.095 0.960 0.958 0.000 0.042 1634.9 0.374 23 0.950 0.644 1.779 3.37 94.90 0.658 0.661 high
T41_P16.M02 0.915 0.018 1.000 0.875 0.038 0.045 1612.1 0.566 12 0.985 0.626 1.851 2.64 94.90 0.667 0.665 high
T41_P16.M04 0.966 0.149 0.960 1.000 0.040 0.077 1719.2 0.326 14 0.995 0.687 2.151 3.92 94.90 0.717 0.683 high
T41_P31.M08 0.966 0.109 1.000 0.958 0.074 0.080 1698.7 0.152 12 1.026 0.794 2.101 3.03 94.90 0.896 0.835 high
T41_P16.M08 0.949 0.111 0.960 0.917 0.077 0.083 1669.2 0.543 10 1.126 0.636 2.276 4.23 94.90 0.678 0.691 high
T41_P42.M10 0.797 0.175 0.960 0.958 0.000 0.115 1623.1 0.727 8 1.141 0.635 2.093 4.63 94.90 0.592 0.569 high
T41_P31.M01 0.814 0.213 0.920 0.875 0.000 0.125 1606.1 0.118 15 1.295 0.902 2.224 6.89 94.90 0.814 0.798 high
T41_P15.M03 0.848 0.123 1.000 0.958 0.000 0.000 1642.3 0.893 8 1.329 0.680 1.947 4.94 95.80 0.629 0.586 high
T41_P31.M04 0.864 0.121 0.960 0.958 0.040 0.080 1637.7 0.929 14 1.380 0.838 2.109 3.81 94.90 0.858 0.853 high
T41_P15.M02 0.966 0.136 1.000 0.958 0.038 0.042 1689.1 0.858 13 1.459 0.619 1.956 5.83 95.80 0.638 0.587 high
T41_P16.M09 0.797 0.096 0.920 0.917 0.042 0.083 1662.7 1.031 14 1.505 0.902 2.087 3.44 94.90 0.935 0.927 high
T41_P45.M02 0.966 0.162 0.960 1.000 0.040 0.077 1697.6 1.147 16 1.589 0.716 1.769 5.89 94.90 0.650 0.606 high
T41_P31.M03 0.932 0.141 0.960 0.917 0.077 0.120 1729.5 0.948 16 1.609 0.902 2.104 6.23 94.90 0.952 0.813 high
T41_P31.M02 0.830 0.300 0.920 0.958 0.115 0.080 1630.1 1.033 11 1.725 0.959 2.310 8.27 94.90 0.737 0.747 high
T41_P06.M08 0.610 0.429 0.960 0.958 0.143 0.042 1663.1 1.909 31 2.433 0.983 2.708 6.29 94.10 1.083 0.614 high
T41_P15.M04 0.848 0.138 1.000 0.958 0.000 0.080 1623.9 2.276 11 2.457 0.766 1.965 4.51 95.80 0.620 0.618 high
T41_P15.M07 0.830 0.125 1.000 0.917 0.000 0.044 1586.0 2.693 10 2.897 0.870 1.998 5.59 95.80 0.621 0.603 high
T41_P15.M08 0.915 0.143 0.960 0.958 0.111 0.042 1734.7 2.276 12 3.011 0.878 2.113 11.09 95.80 0.616 0.601 high