Results for CAPRI round 28 target T63

M.F. Lensink and S.J. Wodak

Comments, suggestions, questions: marc.lensink(at)iri.univ-lille1.fr

Text version of this file.

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

Results for:

Number of analysed predictions: 319

Clashes threshold filtering: 30.88
Average: 13.38
StdDev: 8.75
Sequence Identity threshold filtering: 70.0

Eliminated 7, remaining 312 predictions

Removed predictions:

(nclash > 30.88)
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)
T63_P49.M03 0.524 0.593 0.833 0.923 0.444 0.294 1460.0 1.000 32 1.842 0.852 3.207 25.28 100.00 1.221 0.270 clashes,medium
T63_P49.M09 0.524 0.676 1.000 0.923 0.455 0.400 1680.1 0.909 36 2.080 0.974 3.306 39.26 100.00 1.317 0.270 clashes,medium
T63_P24.M05 0.095 0.920 0.833 0.654 0.615 0.346 1205.8 8.042 63 8.845 3.921 6.057 99.83 100.00 1.912 0.283 clashes,incorrect
T63_P24.M01 0.000 1.000 1.000 0.615 0.571 0.429 1248.5 8.442 31 8.867 3.830 6.929 90.77 100.00 1.890 0.291 clashes,incorrect
T63_P24.M02 0.048 0.958 0.833 0.654 0.583 0.261 1240.0 8.246 51 8.930 3.932 5.751 94.94 100.00 1.815 0.282 clashes,incorrect
T63_P24.M03 0.048 0.962 1.000 0.538 0.571 0.417 1335.4 8.460 45 9.131 3.999 6.024 111.08 100.00 1.994 0.282 clashes,incorrect
T63_P49.M08 0.000 1.000 1.000 0.038 0.571 0.969 1583.2 29.369 99 31.083 13.348 15.527 154.39 100.00 1.529 0.270 clashes,incorrect

Eliminated 3, remaining 309 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)
T63_P22.M03 0.238 0.891 1.000 0.923 0.571 0.351 1829.8 4.517 23 5.615 2.338 4.942 142.29 83.30 1.440 0.702 low_id,incorrect
T63_P22.M04 0.000 1.000 1.000 0.000 0.571 1.000 1825.8 37.623 9 38.054 15.556 17.173 143.98 83.30 2.116 0.718 low_id,incorrect
T63_P22.M07 0.000 1.000 1.000 0.000 0.538 1.000 1676.2 37.611 11 38.078 15.786 17.700 124.60 83.30 2.040 0.714 low_id,incorrect

Incorrect predictions 239, remaining 70 predictions

Incorrect predictions:

((f(nat) < 0.2) || ((L_rmsd > 4.0) && (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)
T63_P31.M06 0.143 0.900 1.000 0.962 0.571 0.242 1523.2 2.734 13 3.856 1.741 5.051 166.91 97.89 1.505 0.394 incorrect
T63_P31.M04 0.190 0.871 1.000 0.885 0.400 0.179 1283.7 2.812 16 3.942 1.744 5.268 166.33 97.89 1.495 0.493 incorrect
T63_P25.M10 0.048 0.909 1.000 0.615 0.143 0.158 859.2 2.584 18 4.148 1.989 4.768 89.27 100.00 1.504 0.281 incorrect
T63_P25.M08 0.238 0.615 1.000 0.769 0.250 0.167 981.3 2.428 6 4.672 2.247 3.435 44.57 100.00 1.213 0.281 incorrect
T63_P22.M01 0.286 0.846 1.000 1.000 0.571 0.350 1853.7 3.747 6 4.687 2.020 5.177 114.51 100.00 1.666 0.800 incorrect
T63_P01.M10 0.143 0.893 0.667 0.808 0.667 0.323 1313.8 3.170 12 4.924 2.315 5.150 40.73 100.00 3.041 0.275 incorrect
T63_P25.M05 0.190 0.871 1.000 0.692 0.571 0.419 1557.3 4.165 8 4.924 2.180 5.273 132.00 100.00 0.903 0.281 incorrect
T63_P25.M02 0.143 0.906 1.000 0.923 0.571 0.294 1675.1 3.728 13 4.968 2.152 5.264 171.46 100.00 1.197 0.281 incorrect
T63_P05.M01 0.286 0.842 1.000 0.923 0.571 0.294 1603.7 4.019 19 4.994 2.168 5.090 145.94 100.00 1.642 0.275 incorrect
T63_P05.M05 0.238 0.881 1.000 0.962 0.571 0.286 1699.1 3.977 22 5.033 2.124 4.908 163.61 100.00 1.942 0.275 incorrect
T63_P25.M01 0.333 0.806 1.000 0.769 0.538 0.286 1528.3 3.538 7 5.077 2.202 4.591 77.59 100.00 1.335 0.281 incorrect
T63_P05.M07 0.238 0.833 1.000 0.962 0.500 0.242 1559.1 4.066 11 5.090 2.201 5.043 158.26 100.00 1.742 0.275 incorrect
T63_P05.M04 0.238 0.878 1.000 0.962 0.571 0.342 1763.6 4.248 16 5.177 2.186 5.075 158.97 100.00 1.698 0.275 incorrect
T63_P05.M06 0.238 0.872 1.000 0.962 0.500 0.265 1610.7 4.387 13 5.232 2.154 5.896 116.60 100.00 1.873 0.275 incorrect
T63_P05.M10 0.286 0.800 1.000 0.885 0.571 0.343 1784.3 4.512 18 5.242 2.198 4.126 121.19 100.00 1.712 0.275 incorrect
T63_P25.M04 0.286 0.829 1.000 0.923 0.500 0.314 1473.6 4.319 11 5.253 2.203 5.740 161.84 100.00 1.268 0.281 incorrect
T63_P05.M02 0.190 0.889 1.000 0.962 0.571 0.286 1671.5 4.499 16 5.304 2.189 5.925 121.69 100.00 1.477 0.275 incorrect
T63_P05.M03 0.238 0.865 1.000 0.731 0.538 0.424 1600.9 4.545 13 5.353 2.200 5.665 113.45 100.00 1.864 0.275 incorrect
T63_P05.M08 0.238 0.872 1.000 0.923 0.538 0.273 1645.4 4.322 18 5.353 2.281 5.171 174.66 100.00 1.647 0.275 incorrect
T63_P05.M09 0.143 0.917 1.000 0.923 0.571 0.314 1636.4 4.500 10 5.429 2.250 5.191 136.40 100.00 2.036 0.275 incorrect
T63_P25.M06 0.095 0.895 0.833 0.692 0.444 0.250 1156.2 4.739 3 5.514 2.446 5.780 174.18 100.00 1.058 0.281 incorrect
T63_P22.M05 0.238 0.878 1.000 0.923 0.571 0.351 1754.9 4.875 12 5.522 2.226 4.012 68.51 100.00 1.311 0.676 incorrect
T63_P25.M03 0.286 0.760 1.000 0.692 0.500 0.308 1308.4 3.370 7 5.662 2.545 4.330 96.73 100.00 1.539 0.281 incorrect
T63_P01.M09 0.095 0.923 0.833 0.692 0.583 0.400 1525.9 3.141 13 5.732 2.838 4.781 99.72 100.00 3.981 0.278 incorrect
T63_P46.M03 0.286 0.842 1.000 0.577 0.571 0.531 1865.7 4.230 10 5.915 2.269 4.101 77.60 100.00 1.686 0.703 incorrect
T63_P44.M08 0.095 0.933 0.833 0.615 0.500 0.385 1232.0 5.190 19 6.212 2.745 5.308 154.66 100.00 2.242 0.377 incorrect
T63_P01.M07 0.143 0.857 0.667 0.769 0.667 0.259 1154.9 4.778 6 6.237 2.709 5.296 44.58 100.00 3.015 0.272 incorrect
T63_P01.M05 0.048 0.963 0.667 0.769 0.636 0.259 1316.9 4.036 9 6.254 2.993 4.687 106.05 100.00 3.966 0.278 incorrect
T63_P02.M02 0.143 0.925 1.000 0.923 0.571 0.385 1786.4 5.702 10 6.281 2.697 5.207 125.80 100.00 1.097 0.563 incorrect
T63_P39.M04 0.381 0.733 1.000 0.846 0.500 0.312 1494.1 4.505 8 6.405 2.808 4.527 67.10 100.00 1.093 0.255 incorrect
T63_P32.M09 0.381 0.790 1.000 0.846 0.571 0.371 1667.1 5.296 12 6.412 2.623 5.283 58.44 100.00 2.256 0.471 incorrect
T63_P30.M02 0.571 0.793 1.000 0.962 0.571 0.432 2034.1 5.660 24 6.418 2.534 3.677 115.90 100.00 2.372 1.621 incorrect
T63_P49.M02 0.143 0.850 0.667 0.885 0.600 0.233 1353.1 5.867 14 6.424 2.791 5.633 132.62 100.00 1.522 0.270 incorrect
T63_P39.M09 0.381 0.758 1.000 0.769 0.400 0.333 1481.6 5.334 8 6.436 2.685 3.843 44.84 100.00 1.095 0.257 incorrect
T63_P39.M03 0.381 0.714 1.000 0.846 0.500 0.312 1399.1 4.685 6 6.565 2.849 4.605 67.36 100.00 1.096 0.257 incorrect
T63_P49.M10 0.143 0.917 1.000 0.885 0.538 0.452 1864.7 6.175 22 6.598 2.666 5.189 48.85 100.00 1.944 0.270 incorrect
T63_P39.M02 0.381 0.704 1.000 0.885 0.400 0.258 1335.2 5.253 7 6.661 2.809 4.184 56.00 100.00 1.097 0.256 incorrect
T63_P25.M07 0.238 0.821 1.000 0.692 0.538 0.280 1447.0 4.795 8 6.674 3.011 5.496 172.85 100.00 1.774 0.281 incorrect
T63_P32.M10 0.238 0.861 1.000 0.769 0.538 0.333 1714.9 6.511 6 7.056 2.891 4.400 67.02 100.00 1.726 0.328 incorrect
T63_P47.M08 0.095 0.920 0.667 0.731 0.667 0.240 1327.7 6.360 8 7.773 3.585 5.766 54.49 100.00 3.691 0.271 incorrect
T63_P38.M02 0.238 0.833 1.000 0.885 0.400 0.258 1358.2 6.841 17 7.871 3.373 5.758 76.62 100.00 3.222 0.518 incorrect
T63_P35.M10 0.143 0.906 0.833 0.769 0.583 0.310 1339.0 6.727 13 8.083 3.408 5.111 65.54 100.00 3.074 0.284 incorrect
T63_P38.M01 0.286 0.850 0.833 0.808 0.583 0.250 1408.2 7.367 13 8.086 3.235 5.906 120.75 100.00 2.932 0.477 incorrect
T63_P30.M03 0.143 0.943 1.000 0.731 0.571 0.548 1945.4 7.699 15 8.344 3.222 5.349 73.74 100.00 2.151 1.737 incorrect
T63_P04.M02 0.048 0.979 1.000 0.808 0.571 0.432 1783.5 7.572 11 8.498 3.847 5.585 142.95 99.77 1.731 0.288 incorrect
T63_P23.M08 0.190 0.936 1.000 0.885 0.571 0.439 2111.0 8.215 24 8.583 3.896 4.213 111.89 100.00 1.937 1.248 incorrect
T63_P23.M05 0.238 0.918 1.000 0.885 0.571 0.439 2089.9 8.245 24 8.612 3.865 4.282 78.91 100.00 1.994 1.250 incorrect
T63_P23.M06 0.190 0.936 1.000 0.885 0.571 0.425 2066.7 8.284 17 8.649 3.904 4.291 95.73 100.00 1.998 1.254 incorrect
T63_P23.M07 0.238 0.918 1.000 0.885 0.571 0.425 2102.5 8.377 27 8.757 3.910 4.299 114.67 100.00 2.001 1.267 incorrect
T63_P30.M01 0.190 0.936 1.000 0.885 0.571 0.410 2061.0 8.413 22 8.768 3.949 4.237 100.52 100.00 1.999 1.261 incorrect
T63_P01.M08 0.143 0.870 0.667 0.577 0.636 0.211 1131.7 5.384 10 9.060 4.437 6.868 124.28 100.00 2.988 0.276 incorrect
T63_P08.M05 0.000 1.000 1.000 0.654 0.571 0.414 1440.7 8.615 20 9.165 3.845 5.602 148.43 100.00 1.791 0.288 incorrect
T63_P08.M07 0.000 1.000 0.833 0.615 0.615 0.385 1404.6 8.672 26 9.205 3.842 5.476 149.27 100.00 1.812 0.288 incorrect
T63_P08.M02 0.000 1.000 0.833 0.654 0.615 0.393 1250.7 8.705 5 9.218 3.854 5.504 135.86 100.00 1.845 0.287 incorrect
T63_P44.M02 0.333 0.821 1.000 0.577 0.538 0.444 1407.9 8.240 23 9.234 3.754 4.593 54.39 100.00 1.736 0.377 incorrect
T63_P24.M04 0.048 0.941 0.667 0.577 0.636 0.400 1228.7 8.652 17 9.241 4.043 5.910 112.76 100.00 1.914 0.283 incorrect
T63_P08.M01 0.000 1.000 0.833 0.615 0.583 0.273 1148.2 8.829 7 9.248 3.857 5.393 128.44 100.00 1.981 0.286 incorrect
T63_P08.M08 0.000 1.000 1.000 0.654 0.538 0.292 1203.0 8.770 8 9.259 3.873 5.308 142.29 100.00 1.924 0.291 incorrect
T63_P08.M10 0.000 1.000 0.833 0.615 0.615 0.360 1165.9 8.781 9 9.289 3.857 5.412 137.64 100.00 1.880 0.285 incorrect
T63_P08.M06 0.000 1.000 0.833 0.654 0.583 0.370 1166.8 8.874 2 9.319 3.902 5.295 136.36 100.00 1.959 0.289 incorrect
T63_P08.M09 0.000 1.000 0.833 0.615 0.583 0.304 1212.5 8.848 7 9.321 3.898 5.427 143.98 100.00 1.948 0.289 incorrect
T63_P08.M04 0.000 1.000 0.833 0.615 0.546 0.333 1088.7 8.970 6 9.366 3.914 5.414 139.26 100.00 2.062 0.287 incorrect
T63_P08.M03 0.000 1.000 0.667 0.654 0.600 0.320 1079.6 8.948 8 9.369 3.924 5.622 126.10 100.00 1.983 0.289 incorrect
T63_P41.M08 0.000 1.000 0.833 0.846 0.583 0.312 1442.1 8.965 13 9.462 3.983 4.966 159.62 100.00 1.966 0.281 incorrect
T63_P34.M02 0.048 0.974 0.667 0.731 0.667 0.406 1511.3 9.626 10 10.053 3.967 6.765 98.64 98.60 2.068 0.694 incorrect
T63_P38.M03 0.048 0.967 0.500 0.538 0.700 0.417 1295.1 9.327 16 10.643 4.463 7.098 73.03 100.00 3.295 0.496 incorrect
T63_P01.M02 0.286 0.750 1.000 0.769 0.455 0.130 1107.8 5.960 10 10.792 5.251 6.977 152.64 100.00 2.020 0.287 incorrect
T63_P35.M04 0.286 0.750 1.000 0.769 0.455 0.130 1107.8 5.960 10 10.792 5.251 6.977 152.64 100.00 2.020 0.287 incorrect
T63_P35.M08 0.000 1.000 0.667 0.577 0.600 0.318 1124.6 9.682 11 10.859 4.699 6.766 172.81 100.00 3.028 0.276 incorrect
T63_P30.M07 0.190 0.936 1.000 0.962 0.571 0.419 2032.1 3.799 21 11.125 5.712 7.744 173.78 100.00 1.291 1.106 incorrect
T63_P29.M06 0.238 0.833 1.000 0.769 0.571 0.474 1651.7 11.018 11 11.866 4.620 5.209 107.55 100.00 1.807 0.352 incorrect
T63_P04.M09 0.429 0.816 1.000 0.885 0.571 0.378 1599.8 8.372 5 12.110 5.558 7.351 157.71 99.77 2.805 0.317 incorrect
T63_P23.M10 0.095 0.958 1.000 0.846 0.571 0.463 2009.8 6.025 16 12.307 6.284 8.657 176.78 100.00 1.958 1.082 incorrect
T63_P41.M07 0.000 1.000 1.000 0.577 0.538 0.444 1329.6 12.247 12 13.321 5.423 7.846 133.38 100.00 2.169 0.281 incorrect
T63_P41.M03 0.000 1.000 1.000 0.577 0.538 0.400 1254.2 12.259 14 13.377 5.447 7.700 132.72 100.00 2.250 0.281 incorrect
T63_P44.M06 0.238 0.800 0.833 0.538 0.546 0.440 1172.8 12.313 15 14.213 5.391 6.719 87.92 100.00 1.847 0.377 incorrect
T63_P44.M05 0.238 0.821 0.833 0.654 0.500 0.292 1186.3 12.541 12 14.996 5.868 7.525 119.39 100.00 1.739 0.377 incorrect
T63_P44.M09 0.000 1.000 1.000 0.385 0.538 0.630 1327.3 15.034 21 15.185 6.245 7.173 19.28 100.00 1.548 0.377 incorrect
T63_P38.M09 0.000 1.000 0.500 0.462 0.700 0.455 1084.4 14.594 9 15.539 6.141 8.100 128.48 100.00 3.330 0.495 incorrect
T63_P44.M07 0.048 0.970 1.000 0.808 0.571 0.300 1415.9 12.819 22 16.029 7.000 8.920 179.91 100.00 1.505 0.377 incorrect
T63_P30.M08 0.190 0.938 1.000 0.885 0.571 0.574 2278.0 12.120 23 16.263 7.595 10.191 169.95 100.00 1.768 1.063 incorrect
T63_P34.M04 0.095 0.900 0.833 0.231 0.583 0.727 1098.2 15.641 9 16.530 6.696 7.985 65.14 100.00 3.333 0.788 incorrect
T63_P30.M09 0.000 1.000 1.000 0.885 0.571 0.489 2272.5 16.469 19 16.804 6.808 7.888 57.04 100.00 1.706 1.233 incorrect
T63_P41.M09 0.000 1.000 0.833 0.462 0.615 0.647 1395.4 16.148 14 16.831 6.744 8.786 67.31 100.00 1.986 0.281 incorrect
T63_P23.M09 0.143 0.943 1.000 0.731 0.571 0.513 1925.5 13.303 11 16.899 7.664 9.876 177.13 100.00 1.806 1.072 incorrect
T63_P44.M04 0.190 0.862 0.833 0.615 0.500 0.333 1143.2 14.883 17 17.658 7.211 9.156 155.38 100.00 1.779 0.377 incorrect
T63_P01.M06 0.000 1.000 0.667 0.192 0.667 0.853 1591.2 16.804 8 18.245 7.477 10.016 148.44 100.00 3.883 0.278 incorrect
T63_P23.M03 0.143 0.957 1.000 0.654 0.571 0.660 2360.6 15.692 21 18.905 8.574 11.577 171.27 100.00 1.702 1.282 incorrect
T63_P23.M01 0.143 0.957 1.000 0.692 0.571 0.625 2322.8 15.739 23 18.912 8.548 11.406 167.60 100.00 1.627 1.262 incorrect
T63_P23.M02 0.143 0.957 1.000 0.731 0.571 0.604 2316.0 15.735 19 18.933 8.564 11.596 170.43 100.00 1.717 1.287 incorrect
T63_P23.M04 0.143 0.957 1.000 0.731 0.571 0.612 2362.1 15.797 20 19.020 8.623 11.542 170.10 100.00 1.740 1.275 incorrect
T63_P30.M04 0.095 0.973 1.000 0.808 0.571 0.580 2381.7 15.855 23 19.107 8.613 11.589 167.72 100.00 1.792 1.262 incorrect
T63_P11.M06 0.000 1.000 0.833 0.385 0.615 0.714 1525.1 19.881 14 20.339 8.324 10.300 84.26 100.00 1.818 0.366 incorrect
T63_P30.M05 0.095 0.968 1.000 0.615 0.571 0.673 2294.4 17.320 25 20.464 9.116 11.301 163.34 100.00 1.880 0.831 incorrect
T63_P19.M08 0.000 1.000 0.667 0.077 0.429 0.857 695.1 18.929 7 20.608 9.184 10.655 160.73 100.00 1.952 2.952 incorrect
T63_P38.M08 0.000 1.000 0.833 0.115 0.615 0.885 1376.0 19.090 21 20.650 9.020 11.645 176.84 100.00 3.422 0.545 incorrect
T63_P38.M10 0.000 1.000 1.000 0.154 0.538 0.750 1223.4 19.883 15 20.851 8.331 10.069 94.52 100.00 3.265 0.525 incorrect
T63_P14.M09 0.000 1.000 0.667 0.154 0.667 0.867 1334.3 19.588 15 21.078 8.992 11.787 158.45 100.00 3.651 0.281 incorrect
T63_P30.M06 0.048 0.981 1.000 0.538 0.571 0.674 2064.4 19.863 22 22.384 10.083 12.723 151.35 100.00 1.800 1.322 incorrect
T63_P41.M10 0.000 1.000 1.000 0.231 0.538 0.818 1420.3 22.315 16 22.669 9.407 11.891 153.94 100.00 1.798 0.281 incorrect
T63_P11.M02 0.048 0.976 1.000 0.346 0.571 0.786 1978.1 21.486 4 23.413 9.904 13.167 153.10 100.00 1.710 0.428 incorrect
T63_P11.M04 0.048 0.976 1.000 0.423 0.571 0.750 1981.0 21.843 5 23.762 9.954 12.566 166.90 100.00 1.925 7.069 incorrect
T63_P01.M04 0.000 1.000 0.833 0.000 0.615 1.000 1481.5 23.549 14 24.724 10.224 12.933 148.96 100.00 3.732 0.272 incorrect
T63_P35.M07 0.000 1.000 0.833 0.000 0.615 1.000 1481.5 23.549 14 24.724 10.224 12.933 148.96 100.00 3.732 0.272 incorrect
T63_P34.M01 0.000 1.000 0.833 0.038 0.375 0.941 888.0 24.183 9 25.421 10.823 13.225 171.85 100.00 3.059 0.841 incorrect
T63_P19.M01 0.000 1.000 1.000 0.115 0.571 0.909 1686.4 23.355 13 25.549 11.796 13.574 166.18 100.00 2.054 4.724 incorrect
T63_P19.M09 0.000 1.000 1.000 0.077 0.571 0.923 1506.3 24.140 4 25.942 11.885 13.747 165.48 100.00 1.674 3.719 incorrect
T63_P19.M06 0.000 1.000 1.000 0.115 0.571 0.885 1534.4 24.160 14 26.240 11.776 13.573 156.39 100.00 2.204 3.737 incorrect
T63_P38.M07 0.000 1.000 0.833 0.000 0.583 1.000 1348.8 26.048 13 26.334 10.113 12.597 136.91 100.00 3.358 0.558 incorrect
T63_P19.M03 0.000 1.000 1.000 0.038 0.333 0.947 1143.1 24.917 7 26.356 11.936 14.063 139.97 100.00 2.043 3.658 incorrect
T63_P19.M02 0.000 1.000 1.000 0.077 0.571 0.913 1529.0 24.510 11 26.413 12.136 13.933 166.61 100.00 2.210 4.141 incorrect
T63_P04.M03 0.000 1.000 1.000 0.000 0.571 1.000 1801.9 25.266 6 26.556 10.851 12.638 132.89 99.77 2.073 0.305 incorrect
T63_P01.M03 0.000 1.000 0.667 0.000 0.600 1.000 1126.7 25.790 6 26.914 11.161 14.439 172.55 100.00 3.039 0.270 incorrect
T63_P35.M06 0.000 1.000 0.667 0.000 0.600 1.000 1126.7 25.790 6 26.914 11.161 14.439 172.55 100.00 3.039 0.270 incorrect
T63_P19.M07 0.000 1.000 1.000 0.115 0.500 0.900 1481.9 25.129 16 27.080 12.172 13.770 171.95 100.00 1.881 2.396 incorrect
T63_P19.M04 0.000 1.000 1.000 0.115 0.571 0.906 1736.3 25.283 12 27.169 12.209 13.911 165.21 100.00 2.018 3.868 incorrect
T63_P11.M05 0.000 1.000 1.000 0.000 0.571 1.000 1692.4 27.027 11 27.214 11.286 12.447 122.72 100.00 1.941 0.436 incorrect
T63_P19.M10 0.000 1.000 0.833 0.115 0.375 0.850 1099.1 25.694 9 27.371 12.528 15.001 176.67 100.00 1.998 3.997 incorrect
T63_P34.M09 0.000 1.000 0.667 0.000 0.667 1.000 1452.7 27.517 9 27.865 11.785 13.649 121.06 100.00 1.399 0.706 incorrect
T63_P38.M04 0.000 1.000 0.667 0.000 0.600 1.000 1102.4 27.645 18 28.174 11.464 13.781 109.76 100.00 2.879 0.506 incorrect
T63_P14.M05 0.000 1.000 1.000 0.192 0.538 0.839 1639.2 27.998 12 28.234 11.547 12.937 109.06 100.00 1.979 0.281 incorrect
T63_P47.M09 0.000 1.000 1.000 0.000 0.571 1.000 1496.7 28.674 8 28.934 11.779 13.823 141.73 100.00 1.310 0.273 incorrect
T63_P39.M10 0.000 1.000 1.000 0.115 0.571 0.903 1581.7 27.439 2 29.048 12.349 14.888 171.61 100.00 1.112 0.251 incorrect
T63_P04.M01 0.000 1.000 1.000 0.000 0.538 1.000 1639.0 28.964 7 29.154 11.966 13.733 40.25 99.77 2.310 0.292 incorrect
T63_P35.M09 0.000 1.000 0.667 0.115 0.667 0.893 1463.0 28.983 7 29.213 11.999 13.549 8.05 100.00 3.752 0.279 incorrect
T63_P04.M04 0.000 1.000 1.000 0.000 0.571 1.000 1685.1 29.034 7 29.303 12.081 13.756 69.08 99.77 3.335 0.302 incorrect
T63_P35.M01 0.000 1.000 1.000 0.000 0.400 1.000 1052.8 28.723 4 29.393 12.328 14.821 113.18 100.00 3.726 0.269 incorrect
T63_P11.M03 0.000 1.000 1.000 0.269 0.571 0.833 1998.3 29.399 10 29.503 12.201 14.015 105.80 100.00 1.937 0.481 incorrect
T63_P22.M08 0.000 1.000 1.000 0.038 0.538 0.971 1509.8 29.311 8 29.560 12.283 14.062 113.78 100.00 2.276 0.652 incorrect
T63_P49.M01 0.000 1.000 1.000 0.000 0.143 1.000 1162.3 29.444 17 29.635 12.272 14.307 85.58 100.00 2.270 0.270 incorrect
T63_P35.M05 0.000 1.000 0.833 0.000 0.583 1.000 1396.0 29.439 5 29.827 12.399 14.956 105.83 100.00 3.927 0.273 incorrect
T63_P19.M05 0.000 1.000 1.000 0.077 0.571 0.933 1529.8 28.468 7 30.022 13.366 15.288 162.44 100.00 1.798 3.154 incorrect
T63_P14.M08 0.000 1.000 1.000 0.000 0.538 1.000 1487.0 28.746 11 30.044 12.000 13.923 121.51 100.00 1.804 0.281 incorrect
T63_P14.M01 0.000 1.000 0.500 0.000 0.700 1.000 1109.2 29.251 3 30.060 12.044 14.401 147.83 100.00 3.321 0.281 incorrect
T63_P04.M10 0.000 1.000 0.833 0.154 0.583 0.889 1788.1 28.951 4 30.350 12.668 14.968 159.05 99.77 1.729 0.290 incorrect
T63_P11.M01 0.000 1.000 1.000 0.269 0.571 0.833 2089.5 30.366 10 30.433 12.806 15.802 20.62 100.00 1.458 1.968 incorrect
T63_P34.M05 0.000 1.000 1.000 0.000 0.538 1.000 1417.3 30.047 11 30.921 13.207 16.316 149.18 100.00 3.107 0.656 incorrect
T63_P04.M08 0.000 1.000 1.000 0.000 0.571 1.000 2067.2 31.389 6 31.545 13.149 14.890 83.12 99.77 2.377 0.305 incorrect
T63_P32.M06 0.000 1.000 1.000 0.077 0.571 0.949 1841.3 31.767 16 31.990 13.284 14.586 66.34 100.00 1.821 0.463 incorrect
T63_P32.M02 0.000 1.000 1.000 0.000 0.571 1.000 1926.1 31.826 19 32.047 13.310 14.600 66.60 100.00 1.807 0.464 incorrect
T63_P39.M08 0.000 1.000 1.000 0.000 0.538 1.000 1484.5 31.772 5 32.228 13.221 14.867 121.56 100.00 1.165 0.256 incorrect
T63_P47.M02 0.000 1.000 1.000 0.192 0.571 0.872 1784.9 31.834 13 32.273 13.242 14.574 122.66 100.00 1.025 0.274 incorrect
T63_P42.M10 0.000 1.000 1.000 0.038 0.538 0.971 1693.6 32.095 14 32.305 13.341 14.581 112.41 100.00 1.325 0.274 incorrect
T63_P32.M07 0.000 1.000 1.000 0.077 0.538 0.949 1803.8 32.084 14 32.310 13.359 14.703 89.25 100.00 1.636 0.464 incorrect
T63_P47.M03 0.000 1.000 1.000 0.115 0.538 0.912 1701.2 32.119 16 32.346 13.360 15.133 86.18 100.00 0.921 0.274 incorrect
T63_P42.M07 0.000 1.000 1.000 0.038 0.500 0.971 1665.9 32.149 10 32.354 13.368 14.703 116.55 100.00 1.299 0.274 incorrect
T63_P39.M06 0.000 1.000 0.667 0.000 0.556 1.000 897.3 31.359 2 32.356 13.759 16.387 177.64 100.00 1.068 0.252 incorrect
T63_P42.M03 0.000 1.000 1.000 0.000 0.571 1.000 1699.9 32.165 13 32.389 13.401 14.662 125.60 100.00 1.482 0.281 incorrect
T63_P42.M01 0.000 1.000 1.000 0.000 0.571 1.000 1783.1 32.175 16 32.391 13.405 14.786 120.06 100.00 1.379 0.281 incorrect
T63_P42.M02 0.000 1.000 1.000 0.000 0.571 1.000 1823.1 32.207 10 32.409 13.407 14.716 116.37 100.00 1.328 0.160 incorrect
T63_P49.M04 0.000 1.000 1.000 0.077 0.538 0.943 1706.3 32.198 25 32.424 13.452 14.760 100.65 100.00 1.179 0.270 incorrect
T63_P29.M09 0.000 1.000 1.000 0.154 0.571 0.900 1855.7 32.217 23 32.445 13.395 14.866 101.74 100.00 1.494 0.341 incorrect
T63_P42.M04 0.000 1.000 1.000 0.000 0.538 1.000 1575.7 32.243 12 32.471 13.431 14.652 123.19 100.00 1.460 0.281 incorrect
T63_P40.M10 0.000 1.000 1.000 0.077 0.571 0.946 1815.1 32.240 8 32.476 13.424 14.933 120.54 100.00 1.441 0.325 incorrect
T63_P47.M04 0.000 1.000 1.000 0.077 0.571 0.926 1597.1 32.127 8 32.501 13.192 14.979 132.39 100.00 0.804 0.274 incorrect
T63_P47.M07 0.000 1.000 1.000 0.077 0.571 0.951 1812.9 32.134 9 32.525 13.324 14.995 118.49 100.00 0.848 0.275 incorrect
T63_P42.M05 0.000 1.000 1.000 0.000 0.538 1.000 1662.8 32.298 11 32.544 13.426 14.620 118.56 100.00 1.407 0.274 incorrect
T63_P32.M08 0.000 1.000 1.000 0.038 0.500 0.977 1950.4 32.304 16 32.561 13.496 14.857 129.31 100.00 1.722 0.361 incorrect
T63_P32.M01 0.000 1.000 1.000 0.000 0.500 1.000 1923.7 32.311 16 32.567 13.496 14.860 129.49 100.00 1.717 0.348 incorrect
T63_P20.M08 0.000 1.000 1.000 0.000 0.571 1.000 2070.3 32.386 14 32.591 13.506 15.086 111.90 100.00 1.160 0.290 incorrect
T63_P20.M06 0.000 1.000 1.000 0.000 0.571 1.000 2073.1 32.388 14 32.595 13.507 15.114 110.50 100.00 1.139 0.290 incorrect
T63_P31.M07 0.000 1.000 1.000 0.000 0.571 1.000 2019.5 32.396 20 32.613 13.472 14.662 115.54 97.89 1.429 0.280 incorrect
T63_P42.M09 0.000 1.000 1.000 0.000 0.538 1.000 1691.7 32.400 11 32.627 13.498 14.800 122.59 100.00 1.467 0.281 incorrect
T63_P20.M01 0.000 1.000 1.000 0.000 0.571 1.000 1995.9 32.410 17 32.631 13.517 15.096 111.80 100.00 1.135 0.290 incorrect
T63_P31.M09 0.000 1.000 1.000 0.000 0.571 1.000 1909.9 32.427 11 32.640 13.498 14.637 116.10 97.89 1.512 0.377 incorrect
T63_P20.M03 0.000 1.000 1.000 0.000 0.571 1.000 2118.0 32.450 16 32.650 13.531 15.033 107.83 100.00 1.261 0.290 incorrect
T63_P29.M10 0.000 1.000 1.000 0.077 0.571 0.951 1904.4 32.396 24 32.651 13.475 14.819 118.57 100.00 1.746 0.348 incorrect
T63_P42.M08 0.000 1.000 1.000 0.000 0.538 1.000 1697.9 32.449 14 32.667 13.507 14.805 121.91 100.00 1.408 0.160 incorrect
T63_P42.M06 0.000 1.000 1.000 0.000 0.538 1.000 1714.8 32.461 15 32.691 13.488 14.725 117.14 100.00 1.473 0.274 incorrect
T63_P31.M10 0.000 1.000 1.000 0.000 0.571 1.000 2041.7 32.492 19 32.712 13.542 14.894 114.72 97.89 1.445 0.295 incorrect
T63_P20.M02 0.000 1.000 1.000 0.000 0.571 1.000 2015.3 32.479 14 32.714 13.545 15.152 118.73 100.00 1.223 0.290 incorrect
T63_P20.M05 0.000 1.000 1.000 0.000 0.571 1.000 2082.9 32.516 12 32.720 13.560 15.230 108.37 100.00 1.293 0.290 incorrect
T63_P20.M07 0.000 1.000 1.000 0.000 0.571 1.000 2092.9 32.494 17 32.724 13.548 14.936 114.40 100.00 1.295 0.290 incorrect
T63_P31.M08 0.000 1.000 1.000 0.000 0.571 1.000 1937.6 32.518 22 32.729 13.515 14.789 114.80 97.89 1.469 0.320 incorrect
T63_P20.M04 0.000 1.000 1.000 0.000 0.571 1.000 1939.0 32.521 15 32.749 13.561 15.140 115.66 100.00 1.293 0.290 incorrect
T63_P02.M03 0.000 1.000 1.000 0.038 0.571 0.974 1831.1 32.583 21 32.797 13.649 14.841 107.37 100.00 1.780 0.737 incorrect
T63_P14.M10 0.000 1.000 1.000 0.231 0.571 0.800 1813.2 32.436 14 32.879 13.307 14.675 150.03 100.00 2.000 0.281 incorrect
T63_P22.M10 0.000 1.000 1.000 0.000 0.500 1.000 1670.1 32.666 9 32.923 13.716 15.701 137.99 100.00 1.649 0.657 incorrect
T63_P31.M02 0.000 1.000 1.000 0.000 0.571 1.000 1938.7 32.768 22 32.983 13.673 14.935 114.74 97.89 1.457 0.355 incorrect
T63_P41.M01 0.000 1.000 1.000 0.038 0.538 0.970 1688.5 32.698 16 32.985 13.635 14.973 106.88 100.00 1.768 0.281 incorrect
T63_P04.M06 0.000 1.000 1.000 0.000 0.571 1.000 2015.4 33.055 12 33.102 13.753 15.556 17.36 99.77 1.874 0.322 incorrect
T63_P35.M02 0.000 1.000 1.000 0.000 0.250 1.000 1176.4 33.033 4 33.210 13.944 16.124 56.30 100.00 2.081 0.274 incorrect
T63_P39.M05 0.000 1.000 1.000 0.038 0.500 0.968 1402.4 32.931 4 33.412 13.539 15.553 167.78 100.00 1.084 0.256 incorrect
T63_P47.M05 0.000 1.000 1.000 0.154 0.571 0.879 1774.8 33.256 10 33.682 13.702 15.517 113.80 100.00 0.850 0.274 incorrect
T63_P04.M07 0.000 1.000 1.000 0.000 0.571 1.000 1667.5 33.887 5 33.932 14.002 15.879 14.79 99.77 1.847 0.301 incorrect
T63_P34.M10 0.000 1.000 1.000 0.000 0.571 1.000 1589.1 33.892 6 34.132 13.672 16.185 160.13 100.00 1.513 0.683 incorrect
T63_P04.M05 0.000 1.000 1.000 0.000 0.571 1.000 1833.2 33.783 6 34.138 14.028 16.181 139.07 99.77 2.124 0.342 incorrect
T63_P34.M03 0.000 1.000 0.500 0.000 0.625 1.000 918.2 33.041 3 34.218 13.865 15.106 162.71 98.60 2.219 0.719 incorrect
T63_P44.M10 0.000 1.000 0.833 0.000 0.546 1.000 1020.8 34.354 17 34.533 14.098 15.495 139.17 100.00 1.855 0.377 incorrect
T63_P02.M10 0.000 1.000 1.000 0.000 0.538 1.000 1405.9 34.751 5 35.014 14.308 16.207 62.88 100.00 1.793 0.265 incorrect
T63_P24.M10 0.000 1.000 1.000 0.038 0.455 0.965 1403.8 34.884 8 35.163 14.462 15.717 169.95 93.60 1.879 0.879 incorrect
T63_P14.M06 0.000 1.000 0.667 0.000 0.667 1.000 1363.7 34.756 13 35.165 14.679 17.013 82.26 100.00 2.277 0.281 incorrect
T63_P29.M02 0.000 1.000 1.000 0.077 0.538 0.947 1808.4 34.929 15 35.200 14.523 16.175 139.24 100.00 1.689 0.349 incorrect
T63_P22.M09 0.000 1.000 1.000 0.000 0.455 1.000 1460.1 34.832 6 35.209 14.448 16.168 143.68 100.00 1.850 0.620 incorrect
T63_P29.M04 0.000 1.000 1.000 0.077 0.538 0.947 1840.3 34.954 14 35.226 14.537 16.221 143.09 100.00 1.706 0.349 incorrect
T63_P02.M09 0.000 1.000 0.833 0.000 0.500 1.000 1276.3 34.053 2 35.234 14.981 17.852 169.40 100.00 1.980 0.260 incorrect
T63_P24.M06 0.000 1.000 1.000 0.038 0.455 0.967 1413.2 34.969 8 35.244 14.502 15.780 160.61 93.60 1.896 0.879 incorrect
T63_P24.M08 0.000 1.000 1.000 0.000 0.400 1.000 1293.5 34.962 3 35.248 14.495 15.830 169.39 93.60 1.872 0.880 incorrect
T63_P11.M08 0.000 1.000 1.000 0.000 0.400 1.000 1375.3 34.994 5 35.262 14.620 16.082 176.03 100.00 1.770 0.404 incorrect
T63_P34.M08 0.000 1.000 0.667 0.000 0.667 1.000 1560.5 34.637 11 35.302 14.428 16.097 153.89 98.60 1.980 0.692 incorrect
T63_P02.M04 0.000 1.000 1.000 0.038 0.571 0.974 1723.7 35.034 6 35.314 14.677 16.065 153.34 100.00 1.608 0.765 incorrect
T63_P24.M07 0.000 1.000 1.000 0.038 0.455 0.969 1376.1 35.050 5 35.331 14.528 15.778 178.52 93.60 1.868 0.880 incorrect
T63_P34.M06 0.000 1.000 0.833 0.000 0.500 1.000 966.1 34.467 6 35.338 14.283 15.906 176.09 100.00 3.070 0.735 incorrect
T63_P24.M09 0.000 1.000 1.000 0.038 0.455 0.968 1445.6 35.053 5 35.341 14.531 15.754 169.82 93.60 1.880 0.878 incorrect
T63_P02.M06 0.000 1.000 0.833 0.000 0.500 1.000 1212.9 34.149 5 35.346 15.112 18.158 167.74 100.00 1.965 0.260 incorrect
T63_P11.M10 0.000 1.000 1.000 0.000 0.333 1.000 1477.0 35.136 2 35.363 14.625 15.863 67.97 100.00 1.889 0.281 incorrect
T63_P29.M03 0.000 1.000 1.000 0.038 0.571 0.975 2046.6 35.229 20 35.497 14.639 16.424 139.26 100.00 1.713 0.347 incorrect
T63_P14.M03 0.000 1.000 1.000 0.000 0.571 1.000 1610.4 35.079 9 35.523 14.459 16.063 75.29 100.00 2.817 0.281 incorrect
T63_P29.M01 0.000 1.000 1.000 0.000 0.538 1.000 1653.5 35.322 18 35.572 14.698 16.080 136.60 100.00 1.677 0.350 incorrect
T63_P02.M08 0.000 1.000 0.833 0.000 0.500 1.000 1245.8 34.654 4 35.597 15.169 17.890 161.30 100.00 2.024 0.266 incorrect
T63_P01.M01 0.000 1.000 1.000 0.000 0.538 1.000 1426.0 35.322 8 35.600 14.987 16.761 48.12 100.00 3.960 0.289 incorrect
T63_P35.M03 0.000 1.000 1.000 0.000 0.538 1.000 1426.0 35.322 8 35.600 14.987 16.761 48.12 100.00 3.960 0.289 incorrect
T63_P02.M07 0.000 1.000 1.000 0.000 0.400 1.000 1336.7 34.715 2 35.668 15.317 18.136 152.85 100.00 1.971 0.267 incorrect
T63_P49.M06 0.000 1.000 1.000 0.000 0.571 1.000 1798.7 35.715 27 35.962 14.881 16.341 61.61 100.00 1.944 0.270 incorrect
T63_P49.M07 0.000 1.000 1.000 0.000 0.571 1.000 1840.1 35.715 27 35.962 14.881 16.428 61.61 100.00 1.944 0.270 incorrect
T63_P41.M02 0.000 1.000 1.000 0.038 0.571 0.974 1770.1 35.889 22 36.158 14.942 16.330 65.65 100.00 1.842 0.281 incorrect
T63_P14.M04 0.000 1.000 1.000 0.000 0.571 1.000 1738.9 36.078 8 36.406 14.864 16.863 61.49 100.00 1.910 0.281 incorrect
T63_P36.M05 0.000 1.000 1.000 0.000 0.538 1.000 1829.5 36.157 22 36.425 15.064 16.840 43.14 100.00 1.903 1.448 incorrect
T63_P36.M07 0.000 1.000 1.000 0.000 0.538 1.000 1775.6 36.246 18 36.520 15.136 16.909 59.76 100.00 2.004 1.639 incorrect
T63_P36.M09 0.000 1.000 1.000 0.000 0.538 1.000 1642.3 36.340 18 36.622 15.268 17.246 49.68 100.00 1.872 2.086 incorrect
T63_P36.M06 0.000 1.000 1.000 0.000 0.571 1.000 1697.6 36.416 14 36.651 15.300 17.019 46.77 100.00 1.776 2.480 incorrect
T63_P36.M02 0.000 1.000 1.000 0.000 0.500 1.000 1717.7 36.367 18 36.653 15.207 16.946 58.18 100.00 1.824 1.580 incorrect
T63_P36.M03 0.000 1.000 1.000 0.000 0.571 1.000 1653.3 36.417 17 36.658 15.405 17.115 41.81 100.00 1.891 2.313 incorrect
T63_P36.M10 0.000 1.000 1.000 0.000 0.500 1.000 1652.6 36.482 16 36.747 15.306 17.248 49.42 100.00 1.795 1.970 incorrect
T63_P36.M08 0.000 1.000 1.000 0.000 0.500 1.000 1692.3 36.486 16 36.751 15.220 17.000 68.35 100.00 1.912 1.461 incorrect
T63_P36.M04 0.000 1.000 1.000 0.000 0.500 1.000 1710.1 36.575 18 36.852 15.517 17.218 53.63 100.00 1.970 2.061 incorrect
T63_P14.M07 0.000 1.000 1.000 0.000 0.571 1.000 1522.2 36.624 10 36.931 15.155 17.591 167.85 100.00 1.736 0.281 incorrect
T63_P36.M01 0.000 1.000 1.000 0.000 0.500 1.000 1816.7 36.765 14 37.078 15.518 17.396 99.76 100.00 2.017 2.446 incorrect
T63_P29.M05 0.000 1.000 0.833 0.154 0.615 0.879 1565.5 36.243 12 37.715 15.932 18.321 178.42 100.00 1.832 0.349 incorrect
T63_P29.M08 0.000 1.000 1.000 0.000 0.538 1.000 1818.8 37.346 18 37.751 15.551 18.180 177.99 100.00 1.504 0.349 incorrect
T63_P02.M05 0.000 1.000 1.000 0.000 0.538 1.000 1755.0 37.616 8 37.798 15.744 17.527 88.52 100.00 1.746 0.604 incorrect
T63_P29.M07 0.000 1.000 1.000 0.000 0.571 1.000 2009.9 37.594 15 37.976 15.643 17.926 171.04 100.00 1.393 0.347 incorrect
T63_P38.M06 0.000 1.000 0.667 0.000 0.667 1.000 1067.0 37.387 10 38.070 16.052 18.225 110.95 100.00 3.287 0.490 incorrect
T63_P41.M04 0.000 1.000 1.000 0.000 0.571 1.000 1752.1 38.948 16 39.253 16.216 18.294 141.60 100.00 1.937 0.281 incorrect
T63_P14.M02 0.000 1.000 1.000 0.000 0.538 1.000 1588.6 39.685 6 39.885 16.385 17.625 55.28 100.00 2.280 0.281 incorrect
T63_P38.M05 0.000 1.000 0.833 0.000 0.500 1.000 1162.8 40.023 22 40.823 16.981 19.191 152.33 100.00 3.242 0.488 incorrect
T63_P41.M05 0.000 1.000 1.000 0.000 0.571 1.000 1509.4 42.321 10 42.527 17.618 19.401 50.51 100.00 1.662 0.281 incorrect
T63_P34.M07 0.000 1.000 0.667 0.000 0.636 1.000 1304.1 44.159 4 44.452 18.543 20.834 63.40 98.60 2.248 0.759 incorrect
T63_P41.M06 0.000 1.000 1.000 0.000 0.538 1.000 1706.6 45.329 16 45.505 18.937 21.128 62.49 100.00 2.037 0.281 incorrect

Acceptable predictions 60, remaining 10 predictions

Acceptable predictions:

(((f(nat) >= 0.2) && (f(nat) < 0.5)) && ((L_rmsd <= 4.0) || (I_rmsdbb <= 2.0)) || ((f(nat) >= 0.5) && (L_rmsd > 2.0) && (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)
T63_P47.M06 0.476 0.697 1.000 0.846 0.571 0.405 1782.9 0.893 6 1.777 0.867 3.395 9.90 100.00 1.311 0.269 acceptable
T63_P20.M10 0.619 0.667 1.000 0.923 0.538 0.250 1579.7 0.369 8 2.023 1.050 2.896 45.86 100.00 1.574 0.290 acceptable
T63_P45.M10 0.619 0.519 1.000 0.885 0.500 0.343 1554.7 1.057 15 2.070 1.001 1.719 23.19 100.00 1.546 0.286 acceptable
T63_P48.M01 0.857 0.625 1.000 0.885 0.571 0.378 1803.1 0.777 14 2.161 1.078 1.795 22.48 100.00 1.699 0.279 acceptable
T63_P32.M05 0.762 0.543 1.000 0.885 0.500 0.343 1657.9 1.258 10 2.208 1.047 1.816 20.60 100.00 1.341 0.331 acceptable
T63_P45.M02 0.619 0.458 1.000 0.885 0.500 0.303 1522.7 1.373 15 2.216 1.025 1.846 31.52 100.00 1.524 0.286 acceptable
T63_P48.M07 0.857 0.609 0.833 0.846 0.615 0.421 1830.4 1.050 20 2.240 1.068 1.647 21.43 100.00 1.624 0.279 acceptable
T63_P45.M03 0.619 0.435 1.000 0.923 0.500 0.333 1486.3 1.563 16 2.301 1.032 1.816 23.12 100.00 1.454 0.286 acceptable
T63_P40.M07 0.762 0.515 1.000 0.846 0.500 0.333 1733.3 1.415 8 2.312 1.001 2.466 19.72 100.00 1.256 0.361 acceptable
T63_P45.M01 0.619 0.536 1.000 0.885 0.500 0.324 1644.6 1.129 19 2.312 1.131 2.131 10.04 100.00 1.871 0.286 acceptable
T63_P32.M03 0.809 0.514 1.000 0.846 0.455 0.371 1655.0 1.263 12 2.337 1.088 1.902 22.97 100.00 1.249 0.322 acceptable
T63_P40.M01 0.762 0.619 1.000 0.846 0.571 0.290 1702.4 1.217 10 2.367 1.109 2.571 41.16 100.00 1.164 0.469 acceptable
T63_P48.M04 0.762 0.568 1.000 0.885 0.500 0.233 1525.4 1.145 12 2.396 1.188 3.485 30.40 100.00 1.757 0.279 acceptable
T63_P45.M05 0.619 0.435 1.000 0.885 0.538 0.324 1535.3 1.669 15 2.406 1.050 1.813 34.33 100.00 1.296 0.286 acceptable
T63_P48.M08 0.809 0.540 1.000 0.885 0.538 0.281 1610.7 0.589 11 2.424 1.229 2.003 17.39 100.00 1.897 0.279 acceptable
T63_P44.M03 0.667 0.725 1.000 0.808 0.571 0.488 1942.1 1.555 28 2.430 1.176 2.280 24.70 100.00 1.748 0.377 acceptable
T63_P40.M06 0.571 0.657 1.000 0.731 0.538 0.406 1761.3 1.486 6 2.478 1.078 2.958 48.32 100.00 1.160 0.461 acceptable
T63_P40.M09 0.809 0.393 1.000 0.885 0.455 0.343 1560.0 1.273 5 2.481 1.145 2.249 41.64 100.00 1.213 0.423 acceptable
T63_P40.M02 0.762 0.619 1.000 0.885 0.538 0.395 1868.0 1.347 9 2.505 1.172 2.486 43.45 100.00 1.194 0.413 acceptable
T63_P48.M09 0.809 0.540 0.833 0.846 0.546 0.312 1649.9 0.879 17 2.515 1.229 1.818 19.33 100.00 1.864 0.279 acceptable
T63_P32.M04 0.667 0.682 0.833 0.808 0.615 0.512 1957.8 1.283 9 2.552 1.283 2.524 11.86 100.00 1.918 0.475 acceptable
T63_P40.M03 0.809 0.346 1.000 0.885 0.455 0.258 1520.9 1.557 6 2.578 1.151 2.179 40.53 100.00 1.268 0.407 acceptable
T63_P40.M08 0.714 0.546 1.000 0.885 0.500 0.303 1575.4 1.445 7 2.580 1.148 2.596 34.27 100.00 1.265 0.471 acceptable
T63_P40.M05 0.762 0.590 1.000 0.885 0.571 0.258 1704.6 1.152 7 2.663 1.258 2.293 56.43 100.00 1.287 0.460 acceptable
T63_P46.M01 0.619 0.552 1.000 0.808 0.455 0.364 1717.4 1.104 7 2.767 1.350 2.839 142.55 100.00 2.090 2.208 acceptable
T63_P20.M09 0.619 0.698 1.000 0.962 0.571 0.324 1833.1 0.744 11 2.774 1.401 3.172 109.24 100.00 1.913 0.290 acceptable
T63_P48.M02 0.809 0.614 1.000 0.885 0.538 0.343 1747.9 1.698 17 2.781 1.252 2.798 37.65 100.00 1.746 0.279 acceptable
T63_P48.M03 0.762 0.667 0.833 0.885 0.615 0.410 1876.2 1.418 25 2.807 1.316 2.095 17.78 100.00 1.955 0.279 acceptable
T63_P26.M06 0.714 0.651 1.000 0.885 0.571 0.425 1878.9 0.921 17 2.837 1.402 2.325 22.43 100.00 1.766 0.281 acceptable
T63_P26.M09 0.667 0.611 0.833 0.885 0.615 0.378 1777.8 1.167 17 2.889 1.369 2.093 22.58 100.00 1.664 0.281 acceptable
T63_P48.M05 0.762 0.600 1.000 0.885 0.538 0.324 1749.7 1.572 20 2.915 1.351 2.232 17.62 100.00 1.972 0.279 acceptable
T63_P48.M06 0.857 0.581 1.000 0.846 0.571 0.333 1733.9 1.510 13 2.987 1.368 2.268 21.39 100.00 1.863 0.279 acceptable
T63_P26.M01 0.714 0.625 1.000 0.885 0.571 0.343 1798.4 1.036 18 2.992 1.449 2.387 24.24 100.00 1.806 0.281 acceptable
T63_P48.M10 0.714 0.625 1.000 0.885 0.571 0.343 1798.4 1.036 18 2.992 1.449 2.387 24.24 100.00 1.806 0.281 acceptable
T63_P26.M03 0.714 0.605 1.000 0.885 0.571 0.324 1800.1 0.759 18 2.993 1.502 2.477 23.56 100.00 1.951 0.281 acceptable
T63_P26.M04 0.714 0.571 1.000 0.846 0.571 0.333 1678.5 1.138 18 3.045 1.462 2.363 36.65 100.00 1.630 0.281 acceptable
T63_P44.M01 0.667 0.641 1.000 0.846 0.538 0.333 1507.6 1.104 24 3.061 1.507 2.636 30.93 100.00 1.741 0.377 acceptable
T63_P26.M10 0.619 0.667 0.833 0.846 0.615 0.389 1803.4 1.246 19 3.080 1.466 2.335 38.50 100.00 1.738 0.281 acceptable
T63_P26.M07 0.619 0.639 1.000 0.885 0.571 0.395 1791.8 1.266 14 3.140 1.492 2.606 28.57 100.00 1.739 0.281 acceptable
T63_P39.M01 0.333 0.667 1.000 0.808 0.538 0.250 1356.3 2.775 4 3.196 1.464 3.062 37.41 100.00 1.086 0.255 acceptable
T63_P26.M02 0.619 0.639 1.000 0.846 0.571 0.371 1765.4 1.565 15 3.201 1.475 2.813 33.93 100.00 1.635 0.281 acceptable
T63_P25.M09 0.333 0.533 0.833 0.615 0.500 0.448 1125.5 2.576 10 3.217 1.454 4.604 72.40 100.00 1.338 0.281 acceptable
T63_P26.M08 0.667 0.632 1.000 0.885 0.571 0.361 1827.9 1.341 15 3.286 1.555 2.591 31.70 100.00 1.729 0.281 acceptable
T63_P22.M02 0.238 0.881 1.000 0.923 0.538 0.333 1726.5 1.692 14 3.326 1.753 5.113 156.86 100.00 1.921 0.677 acceptable
T63_P26.M05 0.667 0.611 1.000 0.846 0.571 0.353 1763.8 1.373 17 3.361 1.600 2.405 34.12 100.00 1.730 0.281 acceptable
T63_P46.M10 0.714 0.546 1.000 0.808 0.500 0.300 1510.8 2.403 7 3.516 1.330 2.407 48.92 100.00 2.167 2.061 acceptable
T63_P46.M08 0.667 0.588 1.000 0.731 0.538 0.406 1671.4 2.152 8 3.517 1.471 2.650 74.72 100.00 2.150 0.703 acceptable
T63_P11.M07 0.238 0.844 1.000 0.962 0.400 0.194 1403.2 2.466 13 3.556 1.641 5.276 175.21 100.00 1.759 0.325 acceptable
T63_P46.M02 0.714 0.583 1.000 0.808 0.571 0.417 1807.8 2.030 11 3.564 1.509 2.178 50.62 100.00 2.197 0.703 acceptable
T63_P11.M09 0.286 0.824 1.000 0.962 0.400 0.167 1355.1 2.443 1 3.570 1.631 5.042 156.09 100.00 1.679 0.280 acceptable
T63_P46.M06 0.571 0.613 1.000 0.846 0.571 0.421 1777.1 2.023 7 3.606 1.492 2.639 42.86 100.00 2.060 0.703 acceptable
T63_P46.M09 0.619 0.618 1.000 0.846 0.571 0.389 1795.4 2.220 11 3.647 1.493 2.407 42.90 100.00 2.021 0.703 acceptable
T63_P46.M05 0.619 0.606 1.000 0.885 0.538 0.410 1774.6 2.131 7 3.704 1.519 2.518 23.27 100.00 2.100 0.703 acceptable
T63_P31.M05 0.238 0.848 1.000 0.923 0.571 0.200 1536.7 2.676 10 3.740 1.684 5.147 149.82 97.89 1.503 0.415 acceptable
T63_P46.M04 0.571 0.500 0.833 0.769 0.500 0.333 1457.0 2.183 6 3.945 1.638 2.712 31.06 100.00 2.105 0.703 acceptable
T63_P31.M03 0.286 0.786 1.000 0.885 0.571 0.233 1475.2 2.774 11 3.985 1.759 4.973 155.61 97.89 1.738 0.387 acceptable
T63_P31.M01 0.238 0.792 1.000 0.808 0.400 0.222 1270.6 2.792 11 4.017 1.765 4.903 150.55 97.89 1.699 0.283 acceptable
T63_P39.M07 0.286 0.750 1.000 0.615 0.571 0.529 1523.4 3.438 5 4.393 1.999 3.649 45.83 100.00 1.072 0.260 acceptable
T63_P46.M07 0.714 0.659 1.000 0.885 0.538 0.395 1831.9 3.292 17 4.505 1.742 3.431 41.82 100.00 2.096 0.703 acceptable
T63_P30.M10 0.905 0.672 1.000 0.923 0.571 0.478 2130.6 3.866 21 4.811 1.811 2.545 32.31 100.00 1.735 1.096 acceptable

Medium predictions 10, remaining 0 predictions

Medium predictions:

((((f(nat) >= 0.5) && (f(nat) < 0.8)) && ((L_rmsd <= 2.0) || (I_rmsdbb <= 1.0))) || ((f(nat) >= 0.8) && (L_rmsd > 1.0) && (I_rmsdbb > 0.5)))
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)
T63_P45.M08 0.571 0.500 1.000 0.923 0.500 0.226 1406.0 0.655 13 0.907 0.431 1.797 2.79 100.00 0.576 0.286 medium
T63_P45.M06 0.714 0.423 1.000 0.923 0.400 0.226 1357.8 0.752 17 1.033 0.471 1.543 18.28 100.00 0.547 0.286 medium
T63_P45.M07 0.667 0.440 0.833 0.923 0.546 0.314 1569.8 0.640 16 1.219 0.610 1.451 11.54 100.00 0.964 0.286 medium
T63_P47.M10 0.524 0.593 1.000 0.923 0.538 0.333 1546.7 1.187 8 1.563 0.720 2.374 1.51 100.00 1.012 0.272 medium
T63_P02.M01 1.000 0.488 0.833 0.923 0.615 0.314 1557.9 0.615 12 1.622 0.904 1.553 11.73 100.00 1.441 0.601 medium
T63_P45.M04 0.714 0.375 1.000 0.846 0.500 0.312 1415.6 1.009 15 1.743 0.833 1.731 9.59 100.00 1.359 0.286 medium
T63_P22.M06 0.809 0.595 1.000 0.846 0.500 0.312 1700.4 0.220 6 1.781 1.011 2.823 6.72 100.00 1.728 0.628 medium
T63_P45.M09 0.571 0.400 1.000 0.846 0.538 0.312 1313.8 1.214 15 2.005 0.946 2.142 23.22 100.00 1.479 0.286 medium
T63_P40.M04 0.857 0.400 1.000 0.923 0.455 0.333 1611.4 1.333 6 2.083 0.904 2.122 22.06 100.00 1.137 0.361 medium
T63_P47.M01 0.667 0.576 1.000 0.923 0.538 0.333 1733.7 1.472 10 2.094 0.958 2.680 36.96 100.00 1.012 0.272 medium

High quality predictions 3, remaining -3 predictions

High quality predictions:

((f(nat) >= 0.8) && ((L_rmsd <= 1.0) || (I_rmsdbb <= 0.5)))
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_63_xray 1.000 0.000 1.000 1.000 0.000 0.000 1031.2 0.000 8 0.000 0.000 0.000 0.00 100.00 0.000 0.000 high
interface 0.952 0.167 1.000 0.885 0.000 0.042 1039.4 0.112 13 0.123 0.154 0.543 0.75 100.00 0.000 0.281 high
unbound 0.952 0.167 1.000 0.885 0.000 0.042 1039.4 0.112 13 0.123 0.154 0.543 0.75 100.00 0.000 0.281 high