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.M08 0.148 0.895 1.000 0.759 0.571 0.312 1583.2 3.213 99 11.372 5.663 7.649 177.94 100.00 1.670 0.270 clashes,incorrect
T63_P24.M01 0.000 1.000 1.000 0.172 0.571 0.821 1248.5 24.932 31 25.351 10.575 11.901 153.27 100.00 1.830 0.291 clashes,incorrect
T63_P24.M03 0.000 1.000 1.000 0.034 0.571 0.958 1335.4 24.972 45 25.511 10.714 11.510 136.93 100.00 2.252 0.282 clashes,incorrect
T63_P24.M02 0.000 1.000 0.833 0.000 0.583 1.000 1240.0 25.260 51 25.858 10.867 12.068 152.28 100.00 2.238 0.282 clashes,incorrect
T63_P24.M05 0.000 1.000 0.833 0.034 0.615 0.962 1205.8 25.486 63 26.093 10.950 11.655 144.21 100.00 2.547 0.283 clashes,incorrect
T63_P49.M09 0.000 1.000 1.000 0.103 0.455 0.925 1680.1 32.019 36 32.155 13.294 15.113 112.27 100.00 1.113 0.270 clashes,incorrect
T63_P49.M03 0.000 1.000 0.833 0.000 0.444 1.000 1460.0 32.018 32 32.204 13.318 15.139 108.80 100.00 0.964 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.M07 0.185 0.886 1.000 0.828 0.538 0.226 1676.2 6.079 11 6.934 3.043 4.505 35.04 83.30 1.626 0.714 low_id,incorrect
T63_P22.M04 0.259 0.806 1.000 0.862 0.571 0.306 1825.8 6.208 9 6.951 3.022 4.695 28.75 83.30 1.683 0.718 low_id,incorrect
T63_P22.M03 0.000 1.000 1.000 0.103 0.571 0.919 1829.8 28.150 23 28.294 11.454 12.938 39.41 83.30 1.096 0.702 low_id,incorrect

Incorrect predictions 244, remaining 65 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_P24.M08 0.185 0.762 1.000 0.828 0.400 0.111 1293.5 2.764 3 3.568 1.717 5.265 129.02 93.60 1.722 0.880 incorrect
T63_P49.M01 0.148 0.818 1.000 0.793 0.143 0.115 1162.3 3.203 17 4.193 1.911 5.234 156.02 100.00 2.109 0.270 incorrect
T63_P04.M06 0.444 0.782 1.000 1.000 0.571 0.293 2015.4 1.871 12 4.299 2.104 4.676 101.13 99.77 2.283 0.322 incorrect
T63_P04.M08 0.444 0.755 1.000 0.931 0.571 0.342 2067.2 1.845 6 4.775 2.351 4.253 50.06 99.77 3.040 0.305 incorrect
T63_P04.M05 0.370 0.778 1.000 0.897 0.571 0.297 1833.2 3.458 6 4.930 2.372 4.649 41.75 99.77 2.920 0.342 incorrect
T63_P11.M01 0.259 0.865 1.000 0.897 0.571 0.381 2089.5 4.030 10 5.212 2.488 3.067 118.44 100.00 1.867 1.968 incorrect
T63_P11.M03 0.222 0.870 1.000 0.793 0.571 0.452 1998.3 3.355 10 5.334 2.435 4.439 45.58 100.00 1.988 0.481 incorrect
T63_P02.M10 0.296 0.680 1.000 0.793 0.538 0.281 1405.9 4.864 5 5.460 2.441 3.506 48.67 100.00 2.170 0.265 incorrect
T63_P04.M04 0.259 0.848 1.000 0.862 0.571 0.265 1685.1 3.678 7 5.575 2.648 4.500 120.86 99.77 3.935 0.302 incorrect
T63_P04.M07 0.185 0.881 1.000 0.862 0.571 0.219 1667.5 4.452 5 5.663 2.596 4.662 113.78 99.77 2.298 0.301 incorrect
T63_P14.M05 0.111 0.900 1.000 0.621 0.538 0.419 1639.2 5.055 12 5.907 2.665 5.776 159.85 100.00 0.937 0.281 incorrect
T63_P47.M05 0.407 0.694 1.000 0.690 0.571 0.394 1774.8 4.992 10 5.932 2.528 3.168 36.10 100.00 1.557 0.274 incorrect
T63_P02.M05 0.185 0.886 1.000 0.897 0.538 0.297 1755.0 5.736 8 6.067 2.714 3.927 20.26 100.00 1.300 0.604 incorrect
T63_P47.M09 0.259 0.759 1.000 0.483 0.571 0.440 1496.7 5.500 8 6.119 2.720 3.410 26.20 100.00 2.115 0.273 incorrect
T63_P11.M05 0.222 0.838 1.000 0.862 0.571 0.219 1692.4 5.342 11 6.395 2.885 4.910 31.74 100.00 2.184 0.436 incorrect
T63_P29.M08 0.148 0.902 1.000 0.931 0.538 0.250 1818.8 5.652 18 6.422 2.833 4.606 61.88 100.00 2.078 0.349 incorrect
T63_P39.M05 0.296 0.652 1.000 0.690 0.500 0.355 1402.4 5.566 4 6.586 2.859 3.265 56.29 100.00 1.173 0.256 incorrect
T63_P29.M07 0.148 0.920 1.000 0.931 0.571 0.308 2009.9 5.881 15 6.601 2.888 4.778 65.76 100.00 2.009 0.347 incorrect
T63_P14.M10 0.222 0.854 1.000 0.552 0.571 0.467 1813.2 5.819 14 6.712 2.871 5.401 79.13 100.00 1.695 0.281 incorrect
T63_P34.M08 0.074 0.933 0.667 1.000 0.667 0.216 1560.5 5.123 11 7.016 3.272 5.568 85.04 98.60 2.150 0.692 incorrect
T63_P41.M04 0.148 0.897 1.000 0.897 0.571 0.257 1752.1 6.901 16 7.208 3.083 4.536 57.91 100.00 1.600 0.281 incorrect
T63_P35.M02 0.222 0.727 1.000 0.621 0.250 0.250 1176.4 3.622 4 7.272 3.540 5.363 101.30 100.00 2.650 0.274 incorrect
T63_P35.M05 0.074 0.917 0.833 0.655 0.583 0.424 1396.0 4.499 5 7.651 3.713 6.105 76.30 100.00 4.568 0.273 incorrect
T63_P14.M07 0.111 0.914 1.000 0.655 0.571 0.345 1522.2 6.814 10 7.757 3.249 4.327 78.60 100.00 2.376 0.281 incorrect
T63_P47.M04 0.370 0.756 1.000 0.414 0.571 0.556 1597.1 6.862 8 7.802 3.282 3.422 36.96 100.00 1.601 0.274 incorrect
T63_P04.M01 0.259 0.851 1.000 0.931 0.538 0.206 1639.0 6.255 7 8.074 3.726 4.939 135.13 99.77 2.531 0.292 incorrect
T63_P14.M03 0.037 0.974 1.000 0.862 0.571 0.219 1610.4 6.646 9 8.322 3.702 6.694 137.34 100.00 3.302 0.281 incorrect
T63_P14.M04 0.185 0.875 1.000 0.690 0.571 0.444 1738.9 7.184 8 8.330 3.473 5.622 170.18 100.00 1.412 0.281 incorrect
T63_P01.M01 0.074 0.939 1.000 0.586 0.538 0.370 1426.0 6.233 8 8.717 4.032 5.178 114.81 100.00 4.577 0.289 incorrect
T63_P35.M03 0.074 0.939 1.000 0.586 0.538 0.370 1426.0 6.233 8 8.717 4.032 5.178 114.81 100.00 4.577 0.289 incorrect
T63_P35.M01 0.037 0.944 1.000 0.621 0.400 0.280 1052.8 4.511 4 9.081 4.450 6.319 145.10 100.00 4.372 0.269 incorrect
T63_P35.M09 0.185 0.844 0.667 0.552 0.667 0.429 1463.0 7.404 7 9.117 4.191 5.429 92.09 100.00 4.408 0.279 incorrect
T63_P34.M09 0.074 0.929 0.667 0.724 0.667 0.276 1452.7 6.892 9 9.607 4.538 6.245 78.54 100.00 1.992 0.706 incorrect
T63_P34.M05 0.037 0.971 1.000 0.862 0.538 0.138 1417.3 4.389 11 9.862 4.915 6.808 154.12 100.00 3.470 0.656 incorrect
T63_P04.M10 0.148 0.907 0.833 0.897 0.583 0.278 1788.1 3.992 4 10.097 4.880 7.250 138.72 99.77 2.181 0.290 incorrect
T63_P14.M02 0.037 0.967 1.000 0.517 0.538 0.531 1588.6 9.495 6 10.264 4.312 6.619 134.86 100.00 2.652 0.281 incorrect
T63_P14.M06 0.000 1.000 0.667 0.586 0.667 0.370 1363.7 7.536 13 10.293 4.832 7.288 148.17 100.00 2.666 0.281 incorrect
T63_P04.M03 0.296 0.855 1.000 0.931 0.571 0.325 1801.9 7.780 6 10.611 4.684 6.823 171.09 99.77 2.932 0.305 incorrect
T63_P41.M05 0.037 0.972 1.000 0.759 0.571 0.333 1509.4 10.308 10 10.617 4.466 6.546 147.59 100.00 1.426 0.281 incorrect
T63_P39.M06 0.037 0.944 0.667 0.621 0.556 0.143 897.3 5.155 2 10.828 5.193 7.838 148.64 100.00 1.248 0.252 incorrect
T63_P02.M07 0.111 0.906 1.000 0.862 0.400 0.138 1336.7 3.175 2 10.979 5.465 7.074 152.76 100.00 1.131 0.267 incorrect
T63_P02.M08 0.111 0.875 0.833 0.793 0.500 0.148 1245.8 4.670 4 11.161 5.506 7.202 152.53 100.00 1.136 0.266 incorrect
T63_P41.M10 0.111 0.870 1.000 0.724 0.538 0.364 1420.3 10.267 16 11.427 5.098 6.529 61.25 100.00 1.924 0.281 incorrect
T63_P02.M06 0.074 0.905 0.833 0.724 0.500 0.276 1212.9 3.915 5 11.649 5.824 7.536 164.01 100.00 1.040 0.260 incorrect
T63_P02.M09 0.074 0.923 0.833 0.724 0.500 0.250 1276.3 4.928 2 11.725 5.800 7.561 163.19 100.00 1.039 0.260 incorrect
T63_P01.M04 0.000 1.000 0.833 0.759 0.615 0.290 1481.5 9.611 14 11.909 5.183 7.210 132.50 100.00 4.380 0.272 incorrect
T63_P35.M07 0.000 1.000 0.833 0.759 0.615 0.290 1481.5 9.611 14 11.909 5.183 7.210 132.50 100.00 4.380 0.272 incorrect
T63_P14.M08 0.037 0.971 1.000 0.724 0.538 0.276 1487.0 9.643 11 11.975 5.219 7.241 145.90 100.00 1.417 0.281 incorrect
T63_P39.M10 0.074 0.929 1.000 0.586 0.571 0.452 1581.7 6.567 2 12.648 6.074 8.031 179.82 100.00 1.250 0.251 incorrect
T63_P29.M05 0.111 0.875 0.833 0.621 0.615 0.455 1565.5 5.930 12 12.825 6.375 8.621 166.98 100.00 0.842 0.349 incorrect
T63_P34.M01 0.037 0.909 0.833 0.379 0.375 0.353 888.0 9.054 9 12.975 5.920 7.108 171.20 100.00 3.407 0.841 incorrect
T63_P01.M03 0.037 0.933 0.667 0.483 0.600 0.391 1126.7 10.079 6 13.164 5.939 7.309 171.27 100.00 3.436 0.270 incorrect
T63_P35.M06 0.037 0.933 0.667 0.483 0.600 0.391 1126.7 10.079 6 13.164 5.939 7.309 171.27 100.00 3.436 0.270 incorrect
T63_P41.M06 0.000 1.000 1.000 0.724 0.538 0.382 1706.6 13.293 16 13.664 5.655 7.528 177.36 100.00 1.785 0.281 incorrect
T63_P11.M06 0.037 0.969 0.833 0.655 0.615 0.457 1525.1 12.962 14 13.854 6.038 7.209 173.23 100.00 1.628 0.366 incorrect
T63_P14.M01 0.111 0.870 0.500 0.414 0.700 0.400 1109.2 12.814 3 14.382 6.335 7.177 162.72 100.00 3.614 0.281 incorrect
T63_P11.M04 0.074 0.951 1.000 0.862 0.571 0.432 1981.0 11.125 5 15.074 6.653 8.233 155.99 100.00 1.952 7.069 incorrect
T63_P11.M02 0.074 0.952 1.000 0.793 0.571 0.452 1978.1 11.900 4 15.616 6.747 7.923 155.03 100.00 1.675 0.428 incorrect
T63_P14.M09 0.148 0.879 0.667 0.552 0.667 0.467 1334.3 13.550 15 15.754 6.723 8.065 163.78 100.00 4.351 0.281 incorrect
T63_P30.M09 0.000 1.000 1.000 0.552 0.571 0.644 2272.5 15.962 19 16.198 6.758 7.370 77.92 100.00 0.926 1.233 incorrect
T63_P30.M06 0.259 0.870 1.000 0.655 0.571 0.558 2064.4 12.543 22 16.844 7.329 8.377 179.17 100.00 1.459 1.322 incorrect
T63_P38.M08 0.074 0.944 0.833 0.517 0.615 0.423 1376.0 14.714 21 16.937 7.135 8.148 158.06 100.00 3.876 0.545 incorrect
T63_P19.M02 0.111 0.909 1.000 0.207 0.571 0.739 1529.0 14.371 11 16.981 8.953 10.429 135.56 100.00 1.966 4.141 incorrect
T63_P41.M09 0.000 1.000 0.833 0.552 0.615 0.529 1395.4 16.959 14 17.309 7.136 8.284 171.63 100.00 2.551 0.281 incorrect
T63_P19.M04 0.000 1.000 1.000 0.207 0.571 0.812 1736.3 15.117 12 17.511 9.434 10.600 157.51 100.00 1.229 3.868 incorrect
T63_P19.M10 0.037 0.950 0.833 0.207 0.375 0.700 1099.1 14.186 9 18.150 8.821 8.854 158.42 100.00 1.076 3.997 incorrect
T63_P34.M04 0.000 1.000 0.833 0.241 0.583 0.682 1098.2 17.710 9 18.268 7.518 9.425 115.13 100.00 3.822 0.788 incorrect
T63_P19.M01 0.000 1.000 1.000 0.207 0.571 0.818 1686.4 15.591 13 18.273 10.171 10.584 171.73 100.00 1.171 4.724 incorrect
T63_P19.M09 0.000 1.000 1.000 0.172 0.571 0.808 1506.3 16.060 4 18.304 9.324 10.451 156.53 100.00 1.125 3.719 incorrect
T63_P19.M07 0.000 1.000 1.000 0.207 0.500 0.800 1481.9 16.309 16 18.758 9.103 10.504 137.01 100.00 1.075 2.396 incorrect
T63_P30.M05 0.111 0.952 1.000 0.793 0.571 0.531 2294.4 15.060 25 18.876 8.081 9.214 151.70 100.00 1.056 0.831 incorrect
T63_P19.M06 0.000 1.000 1.000 0.172 0.571 0.808 1534.4 17.156 14 19.398 9.892 10.932 173.85 100.00 1.179 3.737 incorrect
T63_P19.M05 0.000 1.000 1.000 0.207 0.571 0.800 1529.8 17.723 7 19.800 9.443 10.374 155.39 100.00 1.222 3.154 incorrect
T63_P01.M06 0.000 1.000 0.667 0.483 0.667 0.588 1591.2 18.378 8 19.802 8.243 9.352 134.19 100.00 4.503 0.278 incorrect
T63_P23.M01 0.111 0.957 1.000 0.793 0.571 0.521 2322.8 16.771 23 20.159 8.273 9.289 156.81 100.00 1.144 1.262 incorrect
T63_P23.M02 0.111 0.957 1.000 0.759 0.571 0.542 2316.0 16.794 19 20.194 8.317 9.331 157.31 100.00 1.247 1.287 incorrect
T63_P30.M04 0.111 0.960 1.000 0.793 0.571 0.540 2381.7 16.696 23 20.196 8.331 9.392 157.54 100.00 1.297 1.262 incorrect
T63_P23.M04 0.111 0.957 1.000 0.759 0.571 0.551 2362.1 16.748 20 20.225 8.328 9.308 158.47 100.00 1.231 1.275 incorrect
T63_P23.M03 0.111 0.957 1.000 0.724 0.571 0.580 2360.6 16.876 21 20.286 8.353 9.205 158.52 100.00 1.279 1.282 incorrect
T63_P19.M03 0.000 1.000 1.000 0.138 0.333 0.790 1143.1 18.575 7 21.528 10.202 10.216 145.60 100.00 1.452 3.658 incorrect
T63_P41.M07 0.000 1.000 1.000 0.172 0.538 0.815 1329.6 21.460 12 21.798 9.048 10.330 31.80 100.00 2.786 0.281 incorrect
T63_P41.M03 0.000 1.000 1.000 0.172 0.538 0.800 1254.2 21.469 14 21.832 9.077 10.165 33.94 100.00 2.838 0.281 incorrect
T63_P23.M09 0.074 0.962 1.000 0.552 0.571 0.590 1925.5 19.281 11 22.196 9.500 10.621 158.40 100.00 1.483 1.072 incorrect
T63_P29.M06 0.000 1.000 1.000 0.310 0.571 0.763 1651.7 22.795 11 22.822 9.359 10.930 41.58 100.00 1.097 0.352 incorrect
T63_P34.M07 0.000 1.000 0.667 0.138 0.636 0.833 1304.1 21.985 4 22.870 9.463 10.777 92.78 98.60 2.615 0.759 incorrect
T63_P30.M08 0.074 0.969 1.000 0.690 0.571 0.630 2278.0 20.362 23 23.409 9.686 10.597 178.46 100.00 1.079 1.063 incorrect
T63_P30.M01 0.000 1.000 1.000 0.448 0.571 0.667 2061.0 24.008 22 24.188 10.403 11.682 71.33 100.00 1.062 1.261 incorrect
T63_P23.M07 0.000 1.000 1.000 0.448 0.571 0.675 2102.5 24.048 27 24.223 10.399 11.667 70.27 100.00 1.041 1.267 incorrect
T63_P23.M06 0.000 1.000 1.000 0.483 0.571 0.650 2066.7 24.142 17 24.328 10.449 11.735 71.62 100.00 0.984 1.254 incorrect
T63_P23.M05 0.000 1.000 1.000 0.483 0.571 0.658 2089.9 24.177 24 24.347 10.442 11.646 75.12 100.00 0.982 1.250 incorrect
T63_P23.M08 0.000 1.000 1.000 0.448 0.571 0.683 2111.0 24.211 24 24.388 10.458 11.731 66.21 100.00 1.006 1.248 incorrect
T63_P08.M04 0.000 1.000 0.833 0.069 0.546 0.917 1088.7 24.276 6 24.502 10.054 11.716 159.05 100.00 1.738 0.287 incorrect
T63_P41.M08 0.000 1.000 0.833 0.103 0.583 0.906 1442.1 24.328 13 24.565 10.081 11.462 91.13 100.00 1.988 0.281 incorrect
T63_P08.M10 0.000 1.000 0.833 0.172 0.615 0.800 1165.9 24.397 9 24.579 10.057 11.692 27.40 100.00 1.960 0.285 incorrect
T63_P08.M03 0.000 1.000 0.667 0.103 0.600 0.880 1079.6 24.361 8 24.587 10.069 11.714 126.59 100.00 1.796 0.289 incorrect
T63_P08.M01 0.000 1.000 0.833 0.103 0.583 0.864 1148.2 24.411 7 24.618 10.095 11.705 124.85 100.00 1.807 0.286 incorrect
T63_P08.M06 0.000 1.000 0.833 0.034 0.583 0.963 1166.8 24.411 2 24.634 10.088 11.824 114.89 100.00 1.878 0.289 incorrect
T63_P08.M07 0.000 1.000 0.833 0.103 0.615 0.885 1404.6 24.454 26 24.637 10.094 11.655 43.73 100.00 2.073 0.288 incorrect
T63_P08.M09 0.000 1.000 0.833 0.069 0.583 0.913 1212.5 24.417 7 24.649 10.093 11.803 35.24 100.00 1.939 0.289 incorrect
T63_P08.M08 0.000 1.000 1.000 0.069 0.538 0.917 1203.0 24.441 8 24.664 10.100 11.940 36.02 100.00 1.978 0.291 incorrect
T63_P08.M02 0.000 1.000 0.833 0.207 0.615 0.786 1250.7 24.534 5 24.738 10.121 11.659 28.94 100.00 1.978 0.287 incorrect
T63_P08.M05 0.000 1.000 1.000 0.172 0.571 0.828 1440.7 24.545 20 24.749 10.128 11.772 45.31 100.00 2.117 0.288 incorrect
T63_P30.M03 0.000 1.000 1.000 0.483 0.571 0.667 1945.4 24.771 15 24.990 9.901 10.834 43.80 100.00 1.654 1.737 incorrect
T63_P24.M04 0.000 1.000 0.667 0.069 0.636 0.920 1228.7 24.892 17 25.423 10.665 11.623 134.27 100.00 2.050 0.283 incorrect
T63_P19.M08 0.000 1.000 0.667 0.138 0.429 0.714 695.1 24.755 7 25.736 12.140 14.706 80.01 100.00 1.039 2.952 incorrect
T63_P32.M10 0.000 1.000 1.000 0.103 0.538 0.900 1714.9 25.909 6 26.003 10.732 12.125 48.71 100.00 1.056 0.328 incorrect
T63_P38.M02 0.000 1.000 1.000 0.103 0.400 0.903 1358.2 25.993 17 26.304 10.744 12.252 155.06 100.00 3.507 0.518 incorrect
T63_P49.M10 0.000 1.000 1.000 0.207 0.538 0.857 1864.7 26.558 22 26.717 10.965 12.166 126.55 100.00 1.570 0.270 incorrect
T63_P30.M02 0.000 1.000 1.000 0.379 0.571 0.750 2034.1 26.796 24 26.992 11.272 12.801 84.59 100.00 1.881 1.621 incorrect
T63_P02.M02 0.000 1.000 1.000 0.103 0.571 0.923 1786.4 27.170 10 27.415 11.219 12.197 37.76 100.00 1.268 0.563 incorrect
T63_P49.M02 0.000 1.000 0.667 0.069 0.600 0.933 1353.1 27.292 14 27.558 11.301 11.999 44.13 100.00 1.423 0.270 incorrect
T63_P22.M05 0.000 1.000 1.000 0.069 0.571 0.946 1754.9 27.561 12 27.651 11.259 12.021 48.28 100.00 1.250 0.676 incorrect
T63_P05.M10 0.000 1.000 1.000 0.103 0.571 0.914 1784.3 28.229 18 28.382 11.715 13.693 47.63 100.00 1.495 0.275 incorrect
T63_P25.M04 0.000 1.000 1.000 0.103 0.500 0.914 1473.6 28.276 11 28.391 11.743 13.091 51.89 100.00 0.832 0.281 incorrect
T63_P25.M06 0.000 1.000 0.833 0.069 0.444 0.917 1156.2 28.415 3 28.589 11.822 13.635 61.76 100.00 0.958 0.281 incorrect
T63_P25.M05 0.000 1.000 1.000 0.138 0.571 0.871 1557.3 28.437 8 28.619 11.833 13.425 33.42 100.00 0.938 0.281 incorrect
T63_P05.M08 0.000 1.000 1.000 0.172 0.538 0.848 1645.4 28.496 18 28.658 11.794 12.881 91.47 100.00 0.976 0.275 incorrect
T63_P23.M10 0.000 1.000 1.000 0.448 0.571 0.683 2009.8 26.474 16 28.699 11.715 13.007 149.81 100.00 1.207 1.082 incorrect
T63_P05.M02 0.000 1.000 1.000 0.172 0.571 0.857 1671.5 28.579 16 28.708 11.863 13.051 35.20 100.00 1.270 0.275 incorrect
T63_P05.M09 0.000 1.000 1.000 0.172 0.571 0.857 1636.4 28.608 10 28.722 11.826 13.461 110.48 100.00 1.512 0.275 incorrect
T63_P05.M03 0.000 1.000 1.000 0.103 0.538 0.909 1600.9 28.641 13 28.785 11.901 12.864 45.71 100.00 1.689 0.275 incorrect
T63_P25.M02 0.000 1.000 1.000 0.103 0.571 0.912 1675.1 28.687 13 28.819 11.977 13.474 79.03 100.00 0.944 0.281 incorrect
T63_P05.M04 0.000 1.000 1.000 0.172 0.571 0.868 1763.6 28.660 16 28.821 11.897 13.105 85.74 100.00 1.003 0.275 incorrect
T63_P05.M07 0.000 1.000 1.000 0.172 0.500 0.848 1559.1 28.621 11 28.821 11.892 13.226 93.21 100.00 1.173 0.275 incorrect
T63_P05.M01 0.000 1.000 1.000 0.103 0.571 0.912 1603.7 28.659 19 28.874 11.931 13.656 64.31 100.00 1.189 0.275 incorrect
T63_P30.M10 0.000 1.000 1.000 0.379 0.571 0.761 2130.6 28.760 21 28.910 11.707 13.548 115.58 100.00 0.650 1.096 incorrect
T63_P22.M01 0.000 1.000 1.000 0.069 0.571 0.950 1853.7 28.794 6 28.929 11.781 13.007 32.41 100.00 1.223 0.800 incorrect
T63_P05.M06 0.000 1.000 1.000 0.103 0.500 0.912 1610.7 28.814 13 28.944 11.972 13.196 49.88 100.00 1.578 0.275 incorrect
T63_P05.M05 0.000 1.000 1.000 0.103 0.571 0.914 1699.1 28.847 22 28.972 11.936 13.032 95.53 100.00 1.064 0.275 incorrect
T63_P46.M03 0.000 1.000 1.000 0.034 0.571 0.969 1865.7 29.092 10 29.155 11.970 13.551 53.60 100.00 1.357 0.703 incorrect
T63_P01.M08 0.000 1.000 0.667 0.000 0.636 1.000 1131.7 28.329 10 29.491 12.272 13.031 174.88 100.00 3.425 0.276 incorrect
T63_P46.M07 0.000 1.000 1.000 0.172 0.538 0.868 1831.9 29.635 17 29.709 12.338 13.668 88.93 100.00 1.222 0.703 incorrect
T63_P31.M03 0.000 1.000 1.000 0.069 0.571 0.933 1475.2 29.864 11 30.029 12.264 13.695 31.31 97.89 1.686 0.387 incorrect
T63_P01.M02 0.000 1.000 1.000 0.000 0.455 1.000 1107.8 28.526 10 30.081 12.515 13.274 137.98 100.00 2.547 0.287 incorrect
T63_P35.M04 0.000 1.000 1.000 0.000 0.455 1.000 1107.8 28.526 10 30.081 12.515 13.274 137.98 100.00 2.547 0.287 incorrect
T63_P47.M08 0.000 1.000 0.667 0.000 0.667 1.000 1327.7 29.420 8 30.081 12.464 13.992 122.16 100.00 4.135 0.271 incorrect
T63_P11.M09 0.000 1.000 1.000 0.069 0.400 0.933 1355.1 29.941 1 30.091 12.438 13.706 64.91 100.00 1.657 0.280 incorrect
T63_P11.M07 0.000 1.000 1.000 0.069 0.400 0.936 1403.2 29.942 13 30.111 12.515 13.908 84.24 100.00 1.565 0.325 incorrect
T63_P31.M05 0.000 1.000 1.000 0.069 0.571 0.933 1536.7 29.963 10 30.118 12.542 13.962 39.03 97.89 1.439 0.415 incorrect
T63_P31.M06 0.000 1.000 1.000 0.069 0.571 0.939 1523.2 29.949 13 30.122 12.309 13.698 60.97 97.89 1.597 0.394 incorrect
T63_P31.M01 0.000 1.000 1.000 0.069 0.400 0.926 1270.6 29.985 11 30.144 12.413 13.696 30.88 97.89 1.614 0.283 incorrect
T63_P31.M04 0.000 1.000 1.000 0.069 0.400 0.929 1283.7 30.059 16 30.230 12.623 14.203 58.85 97.89 1.566 0.493 incorrect
T63_P25.M09 0.000 1.000 0.833 0.103 0.500 0.897 1125.5 30.157 10 30.337 12.548 13.862 44.07 100.00 0.943 0.281 incorrect
T63_P35.M08 0.000 1.000 0.667 0.000 0.600 1.000 1124.6 30.049 11 30.569 12.342 14.302 126.25 100.00 3.427 0.276 incorrect
T63_P30.M07 0.000 1.000 1.000 0.379 0.571 0.744 2032.1 28.644 21 30.570 12.248 13.543 157.00 100.00 1.468 1.106 incorrect
T63_P46.M04 0.000 1.000 0.833 0.172 0.500 0.833 1457.0 30.692 6 30.787 12.692 14.150 108.50 100.00 1.169 0.703 incorrect
T63_P46.M08 0.000 1.000 1.000 0.207 0.538 0.812 1671.4 30.893 8 30.996 12.870 14.292 74.51 100.00 1.146 0.703 incorrect
T63_P46.M02 0.000 1.000 1.000 0.207 0.571 0.833 1807.8 30.898 11 31.000 12.842 14.364 93.43 100.00 1.188 0.703 incorrect
T63_P46.M05 0.000 1.000 1.000 0.207 0.538 0.846 1774.6 30.969 7 31.055 12.847 14.474 104.38 100.00 1.250 0.703 incorrect
T63_P48.M02 0.000 1.000 1.000 0.034 0.538 0.971 1747.9 30.970 17 31.126 12.930 14.584 125.93 100.00 1.245 0.279 incorrect
T63_P48.M05 0.000 1.000 1.000 0.034 0.538 0.971 1749.7 31.038 20 31.181 12.911 14.778 148.41 100.00 1.421 0.279 incorrect
T63_P47.M01 0.000 1.000 1.000 0.000 0.538 1.000 1733.7 30.920 10 31.190 12.980 14.568 152.97 100.00 1.668 0.272 incorrect
T63_P46.M06 0.000 1.000 1.000 0.207 0.571 0.842 1777.1 31.137 7 31.222 12.920 14.238 94.22 100.00 1.030 0.703 incorrect
T63_P48.M06 0.000 1.000 1.000 0.034 0.571 0.970 1733.9 31.146 13 31.245 12.927 14.554 141.44 100.00 1.071 0.279 incorrect
T63_P46.M09 0.000 1.000 1.000 0.103 0.571 0.917 1795.4 31.174 11 31.274 12.938 14.510 90.08 100.00 1.032 0.703 incorrect
T63_P48.M03 0.000 1.000 0.833 0.034 0.615 0.974 1876.2 31.218 25 31.356 12.987 14.928 151.02 100.00 1.337 0.279 incorrect
T63_P01.M09 0.000 1.000 0.833 0.000 0.583 1.000 1525.9 30.862 13 31.403 12.986 14.409 173.40 100.00 4.624 0.278 incorrect
T63_P47.M10 0.000 1.000 1.000 0.000 0.538 1.000 1546.7 31.264 8 31.522 13.060 14.730 117.99 100.00 1.916 0.272 incorrect
T63_P40.M07 0.000 1.000 1.000 0.069 0.500 0.939 1733.3 31.398 8 31.586 12.979 14.671 97.99 100.00 1.128 0.361 incorrect
T63_P46.M10 0.000 1.000 1.000 0.172 0.500 0.833 1510.8 31.454 7 31.613 13.943 15.255 91.26 100.00 1.403 2.061 incorrect
T63_P40.M04 0.000 1.000 1.000 0.069 0.455 0.944 1611.4 31.589 6 31.765 13.183 14.641 92.35 100.00 1.356 0.361 incorrect
T63_P40.M03 0.000 1.000 1.000 0.034 0.455 0.968 1520.9 31.735 6 31.911 13.109 14.814 81.10 100.00 1.309 0.407 incorrect
T63_P47.M06 0.000 1.000 1.000 0.000 0.571 1.000 1782.9 31.756 6 31.950 13.216 14.779 116.18 100.00 1.826 0.269 incorrect
T63_P40.M09 0.000 1.000 1.000 0.069 0.455 0.943 1560.0 31.835 5 32.011 13.158 14.851 79.22 100.00 1.040 0.423 incorrect
T63_P32.M05 0.000 1.000 1.000 0.103 0.500 0.914 1657.9 31.797 10 32.021 13.169 14.812 95.73 100.00 1.161 0.331 incorrect
T63_P39.M07 0.000 1.000 1.000 0.103 0.571 0.912 1523.4 31.943 5 32.053 13.258 14.965 78.66 100.00 1.250 0.260 incorrect
T63_P26.M01 0.000 1.000 1.000 0.069 0.571 0.943 1798.4 31.815 18 32.075 13.163 14.790 122.58 100.00 1.609 0.281 incorrect
T63_P48.M10 0.000 1.000 1.000 0.069 0.571 0.943 1798.4 31.815 18 32.075 13.163 14.790 122.58 100.00 1.609 0.281 incorrect
T63_P48.M04 0.000 1.000 1.000 0.069 0.500 0.933 1525.4 31.948 12 32.076 13.278 14.887 100.63 100.00 1.561 0.279 incorrect
T63_P32.M03 0.000 1.000 1.000 0.103 0.455 0.914 1655.0 31.887 12 32.089 13.187 14.649 93.64 100.00 1.227 0.322 incorrect
T63_P48.M09 0.000 1.000 0.833 0.069 0.546 0.938 1649.9 31.898 17 32.116 13.246 14.593 82.15 100.00 1.117 0.279 incorrect
T63_P45.M10 0.000 1.000 1.000 0.103 0.500 0.914 1554.7 31.917 15 32.126 13.306 14.980 135.91 100.00 0.727 0.286 incorrect
T63_P32.M04 0.000 1.000 0.833 0.103 0.615 0.930 1957.8 31.956 9 32.132 13.325 14.901 120.19 100.00 0.919 0.475 incorrect
T63_P35.M10 0.000 1.000 0.833 0.000 0.583 1.000 1339.0 31.556 13 32.136 13.421 14.969 157.67 100.00 3.470 0.284 incorrect
T63_P45.M01 0.000 1.000 1.000 0.069 0.500 0.941 1644.6 31.964 19 32.154 13.320 15.068 127.75 100.00 1.002 0.286 incorrect
T63_P26.M03 0.000 1.000 1.000 0.069 0.571 0.941 1800.1 31.884 18 32.178 13.214 14.805 119.45 100.00 1.560 0.281 incorrect
T63_P26.M09 0.000 1.000 0.833 0.103 0.615 0.919 1777.8 31.955 17 32.195 13.220 14.792 131.65 100.00 1.440 0.281 incorrect
T63_P40.M02 0.000 1.000 1.000 0.103 0.538 0.921 1868.0 32.059 9 32.255 13.261 14.859 78.81 100.00 1.040 0.413 incorrect
T63_P26.M07 0.000 1.000 1.000 0.103 0.571 0.921 1791.8 32.019 14 32.268 13.230 14.591 107.94 100.00 1.604 0.281 incorrect
T63_P26.M06 0.000 1.000 1.000 0.103 0.571 0.925 1878.9 32.002 17 32.287 13.259 14.829 128.03 100.00 1.611 0.281 incorrect
T63_P20.M10 0.000 1.000 1.000 0.000 0.538 1.000 1579.7 32.069 8 32.291 13.414 15.681 165.74 100.00 0.862 0.290 incorrect
T63_P26.M08 0.000 1.000 1.000 0.069 0.571 0.944 1827.9 32.046 15 32.309 13.234 14.696 107.46 100.00 1.658 0.281 incorrect
T63_P40.M06 0.000 1.000 1.000 0.034 0.538 0.969 1761.3 32.169 6 32.323 13.391 14.899 75.03 100.00 1.335 0.461 incorrect
T63_P20.M09 0.000 1.000 1.000 0.103 0.571 0.919 1833.1 32.177 11 32.338 13.404 15.718 165.16 100.00 1.530 0.290 incorrect
T63_P26.M10 0.000 1.000 0.833 0.034 0.615 0.972 1803.4 32.100 19 32.341 13.259 14.725 85.98 100.00 1.788 0.281 incorrect
T63_P48.M07 0.000 1.000 0.833 0.069 0.615 0.947 1830.4 32.137 20 32.350 13.372 14.707 95.99 100.00 0.989 0.279 incorrect
T63_P26.M02 0.000 1.000 1.000 0.034 0.571 0.971 1765.4 32.133 15 32.383 13.283 14.484 101.55 100.00 1.640 0.281 incorrect
T63_P25.M03 0.000 1.000 1.000 0.000 0.500 1.000 1308.4 31.953 7 32.389 13.149 14.344 57.77 100.00 0.887 0.281 incorrect
T63_P40.M01 0.000 1.000 1.000 0.034 0.571 0.968 1702.4 32.213 10 32.407 13.421 14.944 81.09 100.00 1.298 0.469 incorrect
T63_P45.M04 0.000 1.000 1.000 0.000 0.500 1.000 1415.6 32.204 15 32.439 13.422 14.821 120.93 100.00 0.830 0.286 incorrect
T63_P02.M01 0.000 1.000 0.833 0.103 0.615 0.914 1557.9 32.227 12 32.440 13.366 14.999 102.35 100.00 1.075 0.601 incorrect
T63_P48.M08 0.000 1.000 1.000 0.069 0.538 0.938 1610.7 32.184 11 32.442 13.361 14.937 105.30 100.00 1.809 0.279 incorrect
T63_P45.M09 0.000 1.000 1.000 0.034 0.538 0.969 1313.8 32.181 15 32.450 13.443 14.988 138.33 100.00 0.819 0.286 incorrect
T63_P45.M02 0.000 1.000 1.000 0.000 0.500 1.000 1522.7 32.234 15 32.502 13.477 15.024 137.04 100.00 0.898 0.286 incorrect
T63_P46.M01 0.000 1.000 1.000 0.138 0.455 0.879 1717.4 32.359 7 32.506 14.438 15.680 47.67 100.00 1.365 2.208 incorrect
T63_P26.M04 0.000 1.000 1.000 0.034 0.571 0.970 1678.5 32.297 18 32.566 13.351 14.795 88.07 100.00 1.679 0.281 incorrect
T63_P40.M08 0.000 1.000 1.000 0.069 0.500 0.939 1575.4 32.378 7 32.582 13.465 15.002 89.66 100.00 1.061 0.471 incorrect
T63_P22.M06 0.000 1.000 1.000 0.103 0.500 0.906 1700.4 32.380 6 32.604 13.442 15.224 151.89 100.00 1.221 0.628 incorrect
T63_P45.M03 0.000 1.000 1.000 0.103 0.500 0.917 1486.3 32.288 16 32.608 13.533 15.009 135.83 100.00 0.994 0.286 incorrect
T63_P48.M01 0.000 1.000 1.000 0.069 0.571 0.946 1803.1 32.384 14 32.643 13.480 14.971 112.56 100.00 1.654 0.279 incorrect
T63_P26.M05 0.000 1.000 1.000 0.034 0.571 0.971 1763.8 32.394 17 32.677 13.375 14.784 101.69 100.00 1.771 0.281 incorrect
T63_P40.M05 0.000 1.000 1.000 0.034 0.571 0.968 1704.6 32.551 7 32.744 13.551 15.194 69.17 100.00 1.161 0.460 incorrect
T63_P45.M05 0.000 1.000 1.000 0.069 0.538 0.941 1535.3 32.425 15 32.763 13.600 15.031 144.00 100.00 1.071 0.286 incorrect
T63_P45.M06 0.000 1.000 1.000 0.000 0.400 1.000 1357.8 32.553 17 32.770 13.521 14.719 137.26 100.00 1.406 0.286 incorrect
T63_P45.M07 0.000 1.000 0.833 0.000 0.546 1.000 1569.8 32.573 16 32.812 13.514 14.820 106.11 100.00 1.302 0.286 incorrect
T63_P25.M01 0.000 1.000 1.000 0.000 0.538 1.000 1528.3 32.556 7 32.862 13.391 14.405 54.33 100.00 1.023 0.281 incorrect
T63_P01.M05 0.000 1.000 0.667 0.000 0.636 1.000 1316.9 32.366 9 32.928 13.601 14.910 168.59 100.00 4.611 0.278 incorrect
T63_P45.M08 0.000 1.000 1.000 0.000 0.500 1.000 1406.0 32.719 13 32.953 13.570 14.861 121.26 100.00 1.610 0.286 incorrect
T63_P44.M03 0.000 1.000 1.000 0.103 0.571 0.927 1942.1 32.767 28 33.026 13.622 14.545 108.80 100.00 1.954 0.377 incorrect
T63_P25.M08 0.000 1.000 1.000 0.000 0.250 1.000 981.3 32.575 6 33.143 13.488 14.635 102.49 100.00 1.241 0.281 incorrect
T63_P44.M01 0.000 1.000 1.000 0.000 0.538 1.000 1507.6 32.992 24 33.404 13.678 14.642 103.65 100.00 2.055 0.377 incorrect
T63_P22.M02 0.000 1.000 1.000 0.103 0.538 0.917 1726.5 33.580 14 33.703 13.669 15.403 40.56 100.00 1.438 0.677 incorrect
T63_P32.M09 0.000 1.000 1.000 0.000 0.571 1.000 1667.1 33.896 12 34.348 14.365 15.247 91.79 100.00 3.124 0.471 incorrect
T63_P25.M07 0.000 1.000 1.000 0.000 0.538 1.000 1447.0 34.067 8 34.604 14.064 15.607 64.05 100.00 1.466 0.281 incorrect
T63_P34.M02 0.000 1.000 0.667 0.069 0.667 0.938 1511.3 34.220 10 34.606 14.535 16.282 84.01 98.60 2.100 0.694 incorrect
T63_P01.M10 0.000 1.000 0.667 0.000 0.667 1.000 1313.8 34.468 12 34.843 14.441 16.694 91.81 100.00 3.452 0.275 incorrect
T63_P39.M01 0.000 1.000 1.000 0.034 0.538 0.964 1356.3 34.914 4 35.077 14.475 16.004 76.15 100.00 1.252 0.255 incorrect
T63_P25.M10 0.000 1.000 1.000 0.000 0.143 1.000 859.2 34.947 18 35.148 14.401 15.722 41.30 100.00 1.019 0.281 incorrect
T63_P44.M08 0.000 1.000 0.833 0.000 0.500 1.000 1232.0 35.220 19 35.618 14.542 16.214 91.14 100.00 2.015 0.377 incorrect
T63_P01.M07 0.000 1.000 0.667 0.000 0.667 1.000 1154.9 35.724 6 36.176 15.014 17.121 106.72 100.00 3.435 0.272 incorrect
T63_P39.M04 0.000 1.000 1.000 0.000 0.500 1.000 1494.1 36.390 8 37.042 15.191 16.548 148.23 100.00 1.246 0.255 incorrect
T63_P39.M03 0.000 1.000 1.000 0.000 0.500 1.000 1399.1 36.464 6 37.123 15.213 16.605 148.24 100.00 1.203 0.257 incorrect
T63_P38.M01 0.000 1.000 0.833 0.000 0.583 1.000 1408.2 37.319 13 37.601 15.506 17.025 137.17 100.00 3.288 0.477 incorrect
T63_P39.M02 0.000 1.000 1.000 0.000 0.400 1.000 1335.2 37.011 7 37.603 15.455 16.767 139.90 100.00 1.190 0.256 incorrect
T63_P39.M09 0.000 1.000 1.000 0.000 0.400 1.000 1481.6 37.602 8 38.138 15.703 17.108 133.14 100.00 1.162 0.257 incorrect
T63_P04.M02 0.000 1.000 1.000 0.000 0.571 1.000 1783.5 39.725 11 39.894 16.556 17.525 99.70 99.77 2.530 0.288 incorrect
T63_P38.M10 0.000 1.000 1.000 0.000 0.538 1.000 1223.4 40.211 15 40.558 16.585 17.566 77.50 100.00 3.628 0.525 incorrect
T63_P04.M09 0.000 1.000 1.000 0.034 0.571 0.973 1599.8 40.006 5 41.038 16.788 17.988 157.84 99.77 3.532 0.317 incorrect
T63_P44.M02 0.000 1.000 1.000 0.000 0.538 1.000 1407.9 40.521 23 41.057 16.824 17.645 145.63 100.00 2.605 0.377 incorrect
T63_P44.M06 0.000 1.000 0.833 0.000 0.546 1.000 1172.8 40.359 15 41.198 17.228 17.947 160.34 100.00 1.851 0.377 incorrect
T63_P38.M07 0.000 1.000 0.833 0.000 0.583 1.000 1348.8 41.016 13 41.330 17.493 19.428 78.86 100.00 3.660 0.558 incorrect
T63_P38.M03 0.000 1.000 0.500 0.000 0.700 1.000 1295.1 41.557 16 42.109 17.162 18.481 115.34 100.00 3.602 0.496 incorrect
T63_P44.M05 0.000 1.000 0.833 0.000 0.500 1.000 1186.3 41.446 12 42.466 17.617 18.202 169.51 100.00 2.070 0.377 incorrect
T63_P38.M09 0.000 1.000 0.500 0.000 0.700 1.000 1084.4 44.485 9 44.856 18.584 20.014 64.21 100.00 3.773 0.495 incorrect
T63_P38.M04 0.000 1.000 0.667 0.000 0.600 1.000 1102.4 44.473 18 44.912 18.938 21.575 149.45 100.00 3.165 0.506 incorrect
T63_P44.M04 0.000 1.000 0.833 0.000 0.500 1.000 1143.2 44.770 17 45.800 18.803 19.550 170.11 100.00 2.056 0.377 incorrect
T63_P44.M07 0.000 1.000 1.000 0.000 0.571 1.000 1415.9 45.106 22 46.301 18.830 20.376 174.23 100.00 1.807 0.377 incorrect
T63_P44.M09 0.000 1.000 1.000 0.000 0.538 1.000 1327.3 47.378 21 47.593 19.756 21.246 138.70 100.00 1.738 0.377 incorrect
T63_P44.M10 0.000 1.000 0.833 0.000 0.546 1.000 1020.8 53.730 17 53.829 22.695 24.815 32.15 100.00 2.262 0.377 incorrect
T63_P34.M03 0.000 1.000 0.500 0.000 0.625 1.000 918.2 56.538 3 57.380 24.161 25.265 162.51 98.60 2.637 0.719 incorrect
T63_P34.M10 0.000 1.000 1.000 0.000 0.571 1.000 1589.1 57.997 6 58.076 24.576 27.218 89.14 100.00 2.080 0.683 incorrect
T63_P34.M06 0.000 1.000 0.833 0.000 0.500 1.000 966.1 58.205 6 58.687 24.878 26.702 103.57 100.00 3.431 0.735 incorrect
T63_P38.M05 0.000 1.000 0.833 0.000 0.500 1.000 1162.8 66.727 22 67.150 28.120 30.444 155.40 100.00 3.638 0.488 incorrect
T63_P38.M06 0.000 1.000 0.667 0.000 0.667 1.000 1067.0 67.387 10 67.657 28.146 30.488 110.86 100.00 3.607 0.490 incorrect

Acceptable predictions 30, remaining 35 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.M03 0.778 0.462 1.000 0.965 0.538 0.177 1701.2 0.473 16 2.066 1.076 1.824 36.08 100.00 1.792 0.274 acceptable
T63_P39.M08 0.630 0.469 1.000 0.828 0.538 0.294 1484.5 1.035 5 2.646 1.297 2.542 22.16 100.00 1.238 0.256 acceptable
T63_P47.M02 0.593 0.529 1.000 0.965 0.571 0.282 1784.9 1.389 13 3.258 1.565 2.383 25.96 100.00 1.824 0.274 acceptable
T63_P47.M07 0.593 0.590 1.000 0.897 0.571 0.366 1812.9 2.178 9 3.426 1.575 2.567 23.61 100.00 1.664 0.275 acceptable
T63_P24.M10 0.222 0.750 1.000 0.828 0.455 0.172 1403.8 2.706 8 3.492 1.687 5.259 125.64 93.60 1.715 0.879 acceptable
T63_P02.M04 0.222 0.872 1.000 0.965 0.571 0.263 1723.7 2.786 6 3.570 1.763 5.470 125.05 100.00 1.577 0.765 acceptable
T63_P11.M10 0.259 0.781 1.000 1.000 0.333 0.216 1477.0 3.036 2 3.573 1.677 5.361 119.76 100.00 1.368 0.281 acceptable
T63_P24.M06 0.222 0.750 1.000 0.828 0.455 0.200 1413.2 2.802 8 3.576 1.717 5.240 135.13 93.60 1.727 0.879 acceptable
T63_P24.M07 0.222 0.739 1.000 0.862 0.455 0.219 1376.1 2.856 5 3.595 1.712 5.231 124.44 93.60 1.675 0.880 acceptable
T63_P24.M09 0.222 0.769 1.000 0.862 0.455 0.194 1445.6 2.821 5 3.619 1.725 5.261 129.28 93.60 1.730 0.878 acceptable
T63_P29.M02 0.333 0.791 1.000 0.965 0.538 0.263 1808.4 2.830 15 3.651 1.684 5.400 140.21 100.00 1.632 0.349 acceptable
T63_P11.M08 0.296 0.771 1.000 1.000 0.400 0.094 1375.3 2.854 5 3.667 1.713 5.309 121.02 100.00 1.839 0.404 acceptable
T63_P29.M04 0.333 0.791 1.000 0.965 0.538 0.263 1840.3 2.863 14 3.697 1.713 5.520 138.92 100.00 1.687 0.349 acceptable
T63_P22.M08 0.519 0.658 1.000 0.965 0.538 0.177 1509.8 3.062 8 3.858 1.722 4.468 138.14 100.00 2.201 0.652 acceptable
T63_P29.M01 0.259 0.841 1.000 0.965 0.538 0.200 1653.5 3.202 18 3.866 1.764 5.562 143.54 100.00 1.544 0.350 acceptable
T63_P29.M03 0.333 0.833 1.000 0.965 0.571 0.300 2046.6 3.268 20 3.963 1.815 5.609 145.77 100.00 1.605 0.347 acceptable
T63_P49.M06 0.259 0.829 1.000 0.931 0.571 0.290 1798.7 3.568 27 4.067 1.883 5.485 175.50 100.00 0.982 0.270 acceptable
T63_P49.M07 0.259 0.829 1.000 0.897 0.571 0.366 1840.1 3.568 27 4.067 1.883 5.476 175.50 100.00 0.982 0.270 acceptable
T63_P22.M09 0.259 0.788 1.000 0.897 0.455 0.188 1460.1 3.074 6 4.080 1.930 5.264 94.62 100.00 1.656 0.620 acceptable
T63_P41.M02 0.296 0.809 1.000 0.897 0.571 0.316 1770.1 3.636 22 4.168 1.889 5.473 175.80 100.00 0.921 0.281 acceptable
T63_P36.M05 0.296 0.826 1.000 0.931 0.538 0.250 1829.5 3.862 22 4.305 1.837 5.502 135.61 100.00 0.899 1.448 acceptable
T63_P36.M07 0.259 0.848 1.000 0.965 0.538 0.222 1775.6 3.953 18 4.378 1.787 5.458 150.29 100.00 0.990 1.639 acceptable
T63_P36.M06 0.333 0.786 1.000 0.965 0.571 0.200 1697.6 4.163 14 4.565 1.777 5.452 119.03 100.00 1.044 2.480 acceptable
T63_P36.M09 0.296 0.818 1.000 0.965 0.538 0.243 1642.3 4.080 18 4.569 1.814 5.528 136.41 100.00 1.010 2.086 acceptable
T63_P36.M02 0.296 0.818 1.000 0.931 0.500 0.290 1717.7 4.105 18 4.593 1.855 5.553 132.27 100.00 1.157 1.580 acceptable
T63_P36.M03 0.259 0.821 1.000 0.931 0.571 0.182 1653.3 4.211 17 4.631 1.825 5.543 127.71 100.00 0.959 2.313 acceptable
T63_P36.M04 0.296 0.809 1.000 0.931 0.500 0.229 1710.1 4.231 18 4.652 1.778 5.543 132.06 100.00 1.187 2.061 acceptable
T63_P36.M10 0.333 0.786 1.000 0.965 0.500 0.263 1652.6 4.230 16 4.661 1.848 5.541 129.44 100.00 1.012 1.970 acceptable
T63_P36.M08 0.333 0.796 1.000 0.931 0.500 0.290 1692.3 4.275 16 4.687 1.851 5.593 139.21 100.00 1.225 1.461 acceptable
T63_P36.M01 0.296 0.805 1.000 0.931 0.500 0.325 1816.7 4.468 14 4.924 1.876 5.510 146.97 100.00 1.224 2.446 acceptable

Medium predictions 10, remaining 25 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_P31.M07 0.778 0.562 1.000 0.965 0.571 0.364 2019.5 0.250 20 0.659 0.396 1.940 2.97 97.89 0.589 0.280 medium
T63_P20.M08 0.778 0.596 1.000 1.000 0.571 0.275 2070.3 0.234 14 0.780 0.426 2.391 12.19 100.00 0.632 0.290 medium
T63_P31.M02 0.778 0.543 1.000 0.897 0.571 0.395 1938.7 0.565 22 0.804 0.380 2.103 4.90 97.89 0.571 0.355 medium
T63_P20.M06 0.778 0.580 1.000 1.000 0.571 0.293 2073.1 0.255 14 0.815 0.442 2.404 12.66 100.00 0.662 0.290 medium
T63_P20.M01 0.778 0.562 1.000 1.000 0.571 0.256 1995.9 0.290 17 0.846 0.455 2.383 10.79 100.00 0.724 0.290 medium
T63_P02.M03 0.778 0.611 1.000 0.965 0.571 0.282 1831.1 0.374 21 0.883 0.627 1.955 7.72 100.00 0.764 0.737 medium
T63_P32.M07 0.778 0.533 1.000 0.965 0.538 0.282 1803.8 0.767 14 1.543 0.767 2.146 12.91 100.00 0.931 0.464 medium
T63_P49.M04 0.667 0.471 1.000 0.931 0.538 0.229 1706.3 1.473 25 1.781 0.769 1.997 18.99 100.00 0.823 0.270 medium
T63_P32.M02 0.667 0.640 1.000 0.931 0.571 0.325 1926.1 1.000 19 2.130 0.989 2.501 34.51 100.00 1.123 0.464 medium
T63_P32.M06 0.704 0.587 1.000 0.931 0.571 0.308 1841.3 1.041 16 2.131 0.983 2.537 34.10 100.00 1.133 0.463 medium

High quality predictions 28, 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 1306.8 0.000 6 0.000 0.000 0.000 0.00 100.00 0.000 0.000 high
unbound 1.000 0.129 1.000 1.000 0.000 0.000 1314.6 0.115 10 0.116 0.238 0.368 0.43 100.00 0.000 0.281 high
interface 0.963 0.133 1.000 1.000 0.000 0.000 1316.0 0.223 12 0.228 0.245 0.378 1.32 100.00 0.000 0.281 high
T63_P42.M04 0.889 0.314 1.000 0.965 0.538 0.097 1575.7 0.236 12 0.629 0.395 2.262 2.65 100.00 0.533 0.281 high
T63_P42.M05 0.889 0.368 1.000 1.000 0.538 0.147 1662.8 0.121 11 0.642 0.376 2.271 2.87 100.00 0.626 0.274 high
T63_P42.M08 0.852 0.439 1.000 1.000 0.538 0.171 1697.9 0.237 14 0.659 0.340 2.122 4.16 100.00 0.576 0.160 high
T63_P20.M04 0.852 0.589 1.000 1.000 0.571 0.256 1939.0 0.297 15 0.678 0.372 2.436 8.73 100.00 0.566 0.290 high
T63_P31.M08 0.852 0.521 1.000 0.931 0.571 0.325 1937.6 0.311 22 0.681 0.386 2.122 3.69 97.89 0.584 0.320 high
T63_P31.M10 0.852 0.540 1.000 0.965 0.571 0.364 2041.7 0.337 19 0.687 0.389 2.148 3.85 97.89 0.585 0.295 high
T63_P42.M03 0.852 0.410 1.000 1.000 0.571 0.237 1699.9 0.274 13 0.691 0.414 2.298 3.25 100.00 0.548 0.281 high
T63_P31.M09 0.852 0.521 1.000 0.931 0.571 0.413 1909.9 0.264 11 0.694 0.406 1.981 2.18 97.89 0.613 0.377 high
T63_P42.M01 0.852 0.425 1.000 1.000 0.571 0.256 1783.1 0.274 16 0.695 0.416 2.306 4.88 100.00 0.556 0.281 high
T63_P40.M10 0.852 0.531 1.000 0.965 0.571 0.243 1815.1 0.301 8 0.696 0.415 2.439 2.13 100.00 0.609 0.325 high
T63_P42.M10 0.852 0.378 1.000 1.000 0.538 0.171 1693.6 0.279 14 0.705 0.377 2.226 7.65 100.00 0.563 0.274 high
T63_P20.M02 0.852 0.558 1.000 1.000 0.571 0.275 2015.3 0.286 14 0.706 0.387 2.322 6.05 100.00 0.628 0.290 high
T63_P42.M09 0.815 0.436 1.000 1.000 0.538 0.216 1691.7 0.343 11 0.711 0.434 2.305 4.27 100.00 0.609 0.281 high
T63_P42.M07 0.889 0.368 1.000 1.000 0.500 0.171 1665.9 0.259 10 0.725 0.386 2.165 7.00 100.00 0.565 0.274 high
T63_P20.M07 0.815 0.585 1.000 1.000 0.571 0.293 2092.9 0.306 17 0.731 0.397 2.181 9.47 100.00 0.622 0.290 high
T63_P42.M06 0.815 0.421 1.000 0.965 0.538 0.177 1714.8 0.284 15 0.739 0.424 2.118 3.00 100.00 0.653 0.274 high
T63_P42.M02 0.852 0.410 1.000 1.000 0.571 0.216 1823.1 0.300 10 0.744 0.366 2.216 7.23 100.00 0.590 0.160 high
T63_P20.M03 0.852 0.589 1.000 1.000 0.571 0.256 2118.0 0.228 16 0.764 0.415 2.411 12.84 100.00 0.573 0.290 high
T63_P32.M01 0.815 0.569 1.000 1.000 0.500 0.293 1923.7 0.321 16 0.770 0.486 2.367 3.45 100.00 0.676 0.348 high
T63_P20.M05 0.852 0.603 1.000 1.000 0.571 0.237 2082.9 0.295 12 0.772 0.413 2.707 12.85 100.00 0.549 0.290 high
T63_P32.M08 0.815 0.569 1.000 1.000 0.500 0.341 1950.4 0.334 16 0.778 0.489 2.368 3.45 100.00 0.677 0.361 high
T63_P29.M10 0.852 0.558 1.000 0.965 0.571 0.317 1904.4 0.177 24 0.831 0.488 2.353 4.06 100.00 0.749 0.348 high
T63_P29.M09 0.889 0.529 1.000 0.965 0.571 0.300 1855.7 0.337 23 0.880 0.521 2.409 11.62 100.00 0.718 0.341 high
T63_P22.M10 0.815 0.450 1.000 0.931 0.500 0.182 1670.1 0.420 9 0.900 0.574 1.706 5.55 100.00 0.667 0.657 high
T63_P41.M01 0.815 0.463 1.000 0.862 0.538 0.242 1688.5 0.511 16 0.998 0.558 1.851 10.90 100.00 0.792 0.281 high