Results for CAPRI round 23 target T48

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: 158

Clashes threshold filtering: 110.61
Average: 30.40
StdDev: 40.10
Sequence Identity threshold filtering: 70.0

Eliminated 21, remaining 137 predictions

Removed predictions:

(nclash > 110.61)
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)
T48_P37.M05 0.208 0.948 0.741 0.618 0.592 0.700 4207.9 7.711 199 15.668 6.651 6.616 90.46 99.80 0.350 0.911 clashes,incorrect
T48_P02.M01 0.000 1.000 0.852 0.647 0.521 0.656 3845.5 7.189 338 19.200 10.967 11.426 147.97 99.80 0.411 0.911 clashes,incorrect
T48_P02.M03 0.000 1.000 0.926 0.647 0.456 0.633 3792.2 10.413 265 20.678 10.563 11.259 151.91 99.80 0.382 0.911 clashes,incorrect
T48_P02.M02 0.000 1.000 0.889 0.676 0.571 0.657 3954.5 10.454 433 21.233 11.031 11.755 168.62 99.80 0.374 0.911 clashes,incorrect
T48_P37.M10 0.021 0.992 0.333 0.500 0.804 0.679 3187.6 12.183 158 21.788 8.353 8.871 178.70 99.80 0.350 0.918 clashes,incorrect
T48_P37.M06 0.021 0.991 0.370 0.324 0.778 0.744 2764.4 14.616 146 23.036 9.123 9.672 155.59 99.80 0.350 0.919 clashes,incorrect
T48_P02.M05 0.000 1.000 0.741 0.353 0.592 0.809 3825.4 18.041 380 25.666 14.452 14.617 153.75 99.80 0.450 0.911 clashes,incorrect
T48_P02.M06 0.000 1.000 0.741 0.265 0.623 0.850 3936.7 18.275 586 26.235 14.570 14.664 169.53 99.80 0.425 0.911 clashes,incorrect
T48_P02.M04 0.000 1.000 0.667 0.177 0.514 0.829 2487.4 20.775 359 26.846 13.433 13.280 145.85 99.80 0.432 0.911 clashes,incorrect
T48_P04.M06 0.000 1.000 0.333 0.324 0.471 0.542 1341.4 20.093 225 27.200 12.901 12.902 173.26 99.80 0.349 0.908 clashes,incorrect
T48_P02.M07 0.000 1.000 0.444 0.088 0.657 0.906 2239.2 23.100 295 29.176 14.537 14.433 148.21 99.80 0.386 0.911 clashes,incorrect
T48_P02.M10 0.000 1.000 0.741 0.088 0.459 0.909 2641.6 30.305 196 33.560 13.961 14.625 92.42 99.80 0.397 0.910 clashes,incorrect
T48_P04.M01 0.000 1.000 0.407 0.000 0.522 1.000 1556.1 35.735 302 38.063 16.426 16.904 109.71 99.80 0.349 0.908 clashes,incorrect
T48_P02.M09 0.000 1.000 0.815 0.029 0.436 0.977 2735.1 35.753 274 40.018 15.917 17.245 151.22 99.80 0.401 0.911 clashes,incorrect
T48_P04.M07 0.000 1.000 0.333 0.059 0.836 0.963 3728.9 43.232 1149 46.484 19.216 19.499 161.68 99.80 0.350 0.908 clashes,incorrect
T48_P40.M06 0.000 1.000 0.593 0.000 0.714 1.000 4132.3 49.630 255 51.420 21.282 21.290 121.97 99.80 0.350 0.908 clashes,incorrect
T48_P40.M07 0.000 1.000 0.852 0.000 0.489 1.000 3045.9 51.785 116 54.310 19.464 19.181 144.56 99.80 0.350 0.908 clashes,incorrect
T48_P40.M05 0.000 1.000 0.778 0.000 0.500 1.000 2955.8 52.373 123 54.969 19.599 19.336 150.61 99.80 0.350 0.908 clashes,incorrect
T48_P04.M05 0.000 1.000 0.407 0.000 0.823 1.000 4317.5 62.147 1076 64.781 26.140 26.535 141.33 99.80 0.350 0.908 clashes,incorrect
T48_P04.M02 0.000 1.000 0.259 0.000 0.788 1.000 2085.1 67.884 552 70.599 27.553 27.718 142.98 99.80 0.351 0.908 clashes,incorrect
T48_P04.M10 0.000 1.000 0.259 0.000 0.462 1.000 785.4 75.234 147 77.122 30.007 29.857 114.64 99.80 0.350 0.908 clashes,incorrect

Eliminated 0, remaining 137 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 116, remaining 21 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)
T48_P20.M09 0.062 0.960 0.704 0.529 0.457 0.581 2815.3 6.432 24 8.696 4.992 5.350 43.59 98.70 0.710 0.963 incorrect
T48_P44.M05 0.125 0.850 0.481 0.588 0.316 0.286 1555.1 5.336 35 10.118 4.200 4.739 63.14 99.80 0.351 0.908 incorrect
T48_P20.M03 0.104 0.919 0.556 0.559 0.516 0.406 1932.0 5.230 17 10.120 5.719 5.974 62.88 98.70 0.592 0.945 incorrect
T48_P47.M09 0.083 0.922 0.519 0.559 0.576 0.269 1959.6 2.289 11 10.500 5.507 5.811 76.06 99.80 0.396 0.922 incorrect
T48_P12.M06 0.062 0.971 0.667 0.529 0.526 0.684 3298.2 4.777 14 10.691 6.033 6.441 67.54 99.80 0.963 0.908 incorrect
T48_P44.M06 0.042 0.950 0.407 0.441 0.593 0.318 1405.5 3.382 10 10.956 5.907 6.201 79.01 99.80 0.349 0.908 incorrect
T48_P48.M09 0.208 0.800 0.519 0.706 0.177 0.040 1600.9 5.756 28 10.963 5.270 5.581 68.35 99.80 0.378 0.942 incorrect
T48_P48.M08 0.188 0.899 0.704 0.794 0.537 0.550 3208.9 4.635 35 11.013 5.836 6.045 76.64 99.80 0.508 0.928 incorrect
T48_P22.M04 0.146 0.942 0.741 0.588 0.583 0.649 3539.2 6.729 8 11.021 4.794 5.179 62.60 99.80 0.726 1.043 incorrect
T48_P12.M02 0.021 0.984 0.481 0.265 0.629 0.700 1977.1 6.546 7 11.258 6.701 6.834 56.95 99.80 1.021 0.909 incorrect
T48_P47.M02 0.062 0.952 0.593 0.647 0.529 0.371 2099.5 2.712 13 11.641 6.213 6.515 78.20 99.80 0.400 0.921 incorrect
T48_P12.M07 0.104 0.934 0.815 0.353 0.405 0.667 2343.4 8.948 8 11.858 5.248 5.662 56.94 99.80 0.909 0.909 incorrect
T48_P47.M06 0.125 0.895 0.593 0.765 0.407 0.297 1888.2 4.478 11 12.395 7.341 7.744 97.52 99.80 0.394 0.922 incorrect
T48_P47.M08 0.062 0.958 0.593 0.735 0.568 0.375 2475.5 7.837 11 13.881 6.292 6.513 71.58 99.80 0.390 0.922 incorrect
T48_P20.M02 0.062 0.958 0.333 0.853 0.757 0.370 2493.4 4.141 23 14.326 7.832 7.974 109.60 98.70 0.639 0.966 incorrect
T48_P47.M01 0.125 0.931 0.519 0.618 0.667 0.523 2910.6 6.024 16 14.397 7.847 8.127 115.84 99.80 0.409 0.921 incorrect
T48_P48.M02 0.021 0.991 0.704 0.206 0.472 0.860 3171.2 9.698 43 15.055 7.733 8.459 90.17 99.80 0.851 0.905 incorrect
T48_P47.M10 0.062 0.938 0.519 0.676 0.391 0.258 1615.9 5.678 3 15.235 8.968 9.351 130.38 99.80 0.418 0.922 incorrect
T48_P20.M01 0.042 0.982 0.852 0.441 0.521 0.727 3532.4 13.219 23 15.242 5.832 6.037 47.17 98.70 0.629 0.952 incorrect
T48_P48.M05 0.000 1.000 0.741 0.412 0.429 0.720 2905.7 9.220 21 16.116 8.640 9.362 109.11 99.80 0.393 0.908 incorrect
T48_P48.M03 0.000 1.000 0.630 0.824 0.638 0.562 4028.6 8.919 48 16.176 7.289 7.588 93.50 99.80 0.538 0.977 incorrect
T48_P20.M06 0.083 0.933 0.556 0.588 0.559 0.459 2198.2 3.827 18 16.177 8.791 9.468 170.36 98.70 0.805 0.951 incorrect
T48_P20.M04 0.083 0.950 0.593 0.529 0.543 0.609 2684.8 7.011 17 17.571 8.465 9.195 173.61 98.70 0.786 0.962 incorrect
T48_P44.M02 0.000 1.000 0.407 0.324 0.500 0.522 1353.5 9.457 22 17.682 9.651 9.608 136.47 99.80 0.351 0.908 incorrect
T48_P20.M10 0.000 1.000 0.481 0.500 0.683 0.595 2181.2 11.245 13 17.810 6.711 6.867 90.43 98.70 0.724 0.948 incorrect
T48_P22.M08 0.000 1.000 0.556 0.706 0.700 0.613 3791.6 10.992 2 17.845 7.130 7.188 94.00 99.80 0.775 1.033 incorrect
T48_P22.M09 0.021 0.993 0.778 0.794 0.604 0.591 3938.7 8.672 11 18.735 9.609 9.684 120.96 99.80 0.868 1.021 incorrect
T48_P01.M04 0.000 1.000 0.259 0.529 0.667 0.250 1378.4 7.485 4 18.912 10.056 10.376 123.90 99.80 0.522 0.908 incorrect
T48_P01.M01 0.000 1.000 0.296 0.471 0.818 0.754 3637.5 11.157 15 19.541 10.928 11.498 139.57 99.80 0.910 0.908 incorrect
T48_P37.M09 0.021 0.987 0.444 0.676 0.625 0.395 2441.6 9.727 29 19.552 8.668 8.797 126.54 99.80 0.350 0.918 incorrect
T48_P22.M10 0.021 0.991 0.889 0.706 0.467 0.579 3464.9 10.328 5 20.830 10.275 10.861 175.98 99.80 0.722 1.036 incorrect
T48_P37.M07 0.083 0.934 0.444 0.559 0.520 0.441 1699.7 10.581 20 20.890 9.117 9.516 178.07 99.80 0.350 0.917 incorrect
T48_P20.M05 0.188 0.908 0.630 0.471 0.575 0.709 3327.7 10.898 17 20.903 9.067 9.582 176.30 98.70 0.663 0.954 incorrect
T48_P01.M03 0.000 1.000 0.259 0.471 0.837 0.673 3290.2 5.673 19 20.958 10.903 10.939 164.00 99.80 0.693 0.908 incorrect
T48_P48.M10 0.000 1.000 0.074 0.559 0.943 0.596 2415.1 8.002 24 21.321 11.111 11.376 179.96 99.80 0.373 0.912 incorrect
T48_P01.M02 0.000 1.000 0.407 0.382 0.800 0.814 4294.5 13.945 31 21.680 11.591 12.145 145.53 99.80 0.972 0.908 incorrect
T48_P20.M08 0.062 0.966 0.778 0.559 0.512 0.620 3093.9 11.952 26 21.829 10.049 10.585 175.17 98.70 0.741 0.964 incorrect
T48_P01.M06 0.000 1.000 0.111 0.588 0.857 0.333 1660.6 7.933 7 22.127 12.885 13.053 167.70 99.80 0.514 0.908 incorrect
T48_P37.M04 0.042 0.965 0.407 0.529 0.522 0.357 1629.0 13.012 12 22.339 10.063 10.354 166.63 99.80 0.350 0.919 incorrect
T48_P37.M03 0.042 0.962 0.519 0.324 0.177 0.577 1352.5 20.930 15 24.327 8.752 9.335 90.28 99.80 0.350 0.919 incorrect
T48_P44.M03 0.000 1.000 0.370 0.088 0.231 0.812 886.2 25.496 10 29.728 14.592 14.142 152.83 99.80 0.349 0.908 incorrect
T48_P44.M08 0.000 1.000 0.370 0.206 0.167 0.533 849.2 26.341 10 30.096 10.813 11.174 103.91 99.80 0.350 0.908 incorrect
T48_P02.M08 0.000 1.000 0.407 0.118 0.560 0.862 1866.5 24.313 83 30.286 14.943 14.702 152.78 99.80 0.366 0.910 incorrect
T48_P04.M08 0.000 1.000 0.111 0.000 0.000 1.000 176.2 32.208 5 34.048 15.315 15.603 93.19 99.80 0.350 0.908 incorrect
T48_P01.M07 0.000 1.000 0.296 0.029 0.619 0.958 1353.4 38.861 5 39.977 18.565 18.466 59.33 99.80 0.509 0.908 incorrect
T48_P01.M05 0.000 1.000 0.370 0.000 0.565 1.000 1587.6 46.411 7 49.882 19.757 19.543 146.12 99.80 0.545 0.908 incorrect
T48_P46.M02 0.000 1.000 0.407 0.000 0.312 1.000 1114.4 48.963 3 50.531 19.278 18.945 84.38 96.90 0.438 0.912 incorrect
T48_P22.M06 0.000 1.000 0.407 0.000 0.694 1.000 2712.6 48.120 5 51.310 22.633 21.853 160.70 99.80 0.709 1.042 incorrect
T48_P22.M07 0.000 1.000 0.778 0.000 0.644 1.000 3967.3 50.698 6 53.734 18.567 18.808 179.68 99.80 0.715 1.043 incorrect
T48_P40.M01 0.000 1.000 0.852 0.000 0.465 1.000 3201.5 51.564 102 54.121 18.969 18.645 138.10 99.80 0.350 0.908 incorrect
T48_P48.M04 0.000 1.000 0.630 0.000 0.605 1.000 3350.1 52.333 40 54.737 18.080 18.094 111.99 99.80 0.350 0.907 incorrect
T48_P22.M01 0.000 1.000 0.778 0.000 0.488 1.000 3217.9 52.356 5 54.915 18.900 18.540 134.64 99.80 0.723 1.036 incorrect
T48_P40.M08 0.000 1.000 0.370 0.000 0.655 1.000 2406.9 52.151 110 55.248 20.885 21.198 173.10 99.80 0.350 0.908 incorrect
T48_P40.M03 0.000 1.000 0.185 0.000 0.868 1.000 2990.9 53.719 102 55.292 23.587 23.887 108.58 99.80 0.350 0.908 incorrect
T48_P22.M05 0.000 1.000 0.815 0.000 0.560 1.000 3717.5 52.579 8 55.332 19.577 19.255 142.30 99.80 0.788 1.047 incorrect
T48_P40.M02 0.000 1.000 0.333 0.000 0.710 1.000 1948.9 53.444 40 56.643 20.653 20.495 155.11 99.80 0.350 0.908 incorrect
T48_P32.M06 0.000 1.000 0.481 0.000 0.381 1.000 1299.2 56.375 29 58.236 27.202 29.011 97.21 98.70 0.350 47.911 incorrect
T48_P46.M05 0.000 1.000 0.185 0.000 0.853 1.000 2228.5 57.427 16 59.718 25.868 25.258 165.65 96.90 0.440 0.915 incorrect
T48_P40.M04 0.000 1.000 0.370 0.000 0.655 1.000 1741.4 57.834 34 59.829 23.958 24.054 143.31 99.80 0.350 0.908 incorrect
T48_P01.M09 0.000 1.000 0.630 0.000 0.414 1.000 1693.1 62.068 7 63.671 24.931 24.618 85.55 99.80 0.465 0.908 incorrect
T48_P13.M09 0.000 1.000 0.259 0.000 0.759 1.000 2135.1 62.020 89 63.925 29.077 30.932 126.57 98.70 0.350 47.911 incorrect
T48_P46.M06 0.000 1.000 0.444 0.000 0.333 1.000 1263.3 62.050 3 64.608 23.027 23.994 177.62 97.00 0.396 0.912 incorrect
T48_P46.M01 0.000 1.000 0.481 0.000 0.235 1.000 1190.3 63.103 10 64.955 23.843 24.681 110.16 97.00 0.447 0.910 incorrect
T48_P13.M06 0.000 1.000 0.185 0.000 0.872 1.000 2919.1 63.000 10 65.115 29.312 31.207 125.10 99.80 0.749 48.069 incorrect
T48_P04.M04 0.000 1.000 0.000 0.000 1.000 1.000 1025.5 63.175 97 66.166 29.392 28.845 142.51 99.80 0.350 0.908 incorrect
T48_P32.M08 0.000 1.000 0.519 0.000 0.333 1.000 1522.0 64.655 17 67.016 28.545 30.100 136.85 98.70 0.350 47.911 incorrect
T48_P13.M02 0.000 1.000 0.481 0.000 0.639 1.000 2091.4 65.941 10 67.048 32.096 33.099 83.03 99.80 0.811 48.068 incorrect
T48_P13.M05 0.000 1.000 0.593 0.000 0.515 1.000 2345.5 65.563 12 67.111 30.726 31.761 95.06 99.80 0.767 48.067 incorrect
T48_P32.M07 0.000 1.000 0.593 0.000 0.238 1.000 1728.7 65.260 37 67.316 29.597 30.918 116.96 98.70 0.350 47.911 incorrect
T48_P13.M08 0.000 1.000 0.444 0.000 0.368 1.000 1422.9 65.376 31 67.564 30.372 31.853 132.95 98.70 0.350 47.911 incorrect
T48_P46.M07 0.000 1.000 0.444 0.000 0.368 1.000 1428.3 65.797 4 67.689 22.845 23.404 105.41 97.00 0.441 0.911 incorrect
T48_P32.M02 0.000 1.000 0.444 0.000 0.333 1.000 1317.8 66.441 5 67.990 31.272 32.319 94.24 98.70 0.350 47.911 incorrect
T48_P46.M04 0.000 1.000 0.519 0.000 0.391 1.000 1736.2 68.091 21 68.153 30.488 29.757 16.09 97.00 0.414 0.910 incorrect
T48_P32.M01 0.000 1.000 0.519 0.000 0.067 1.000 1350.6 66.664 15 68.176 31.006 32.020 89.69 98.70 0.350 47.911 incorrect
T48_P44.M10 0.000 1.000 0.556 0.000 0.423 1.000 1769.1 67.610 31 68.569 27.259 27.504 73.15 99.80 0.350 0.908 incorrect
T48_P32.M09 0.000 1.000 0.519 0.000 0.067 1.000 1240.2 66.684 13 68.572 30.117 31.213 105.99 98.70 0.350 47.911 incorrect
T48_P32.M04 0.000 1.000 0.519 0.000 0.067 1.000 1349.3 66.786 9 68.573 30.388 31.470 100.04 98.70 0.350 47.911 incorrect
T48_P01.M08 0.000 1.000 0.148 0.000 0.897 1.000 2325.7 66.459 11 69.052 26.565 28.108 170.07 99.80 0.577 0.908 incorrect
T48_P32.M05 0.000 1.000 0.481 0.000 0.188 1.000 1061.3 67.928 21 69.337 31.471 32.535 86.39 98.70 0.350 47.911 incorrect
T48_P04.M09 0.000 1.000 0.000 0.000 1.000 1.000 696.2 67.149 41 69.648 29.284 29.126 145.30 99.80 0.350 0.908 incorrect
T48_P13.M03 0.000 1.000 0.370 0.000 0.643 1.000 2139.4 68.383 9 69.673 31.211 32.372 82.70 99.80 0.712 48.064 incorrect
T48_P13.M04 0.000 1.000 0.593 0.000 0.500 1.000 2389.5 66.738 12 69.783 29.443 31.038 162.17 99.80 0.673 48.081 incorrect
T48_P13.M01 0.000 1.000 0.519 0.000 0.576 1.000 2161.4 67.099 15 69.941 28.672 30.231 151.29 99.80 0.886 48.064 incorrect
T48_P44.M09 0.000 1.000 0.148 0.000 0.857 1.000 1680.2 68.088 32 69.953 28.899 29.589 149.14 99.80 0.351 0.908 incorrect
T48_P13.M07 0.000 1.000 0.148 0.000 0.900 1.000 2453.6 68.575 8 70.733 33.227 34.007 154.87 99.80 0.694 48.061 incorrect
T48_P13.M10 0.000 1.000 0.407 0.000 0.542 1.000 1753.0 71.032 44 71.576 33.988 34.927 54.51 98.70 0.350 47.911 incorrect
T48_P22.M03 0.000 1.000 0.370 0.000 0.697 1.000 2622.7 69.458 5 71.968 27.232 27.357 162.15 99.80 0.692 1.049 incorrect
T48_P32.M10 0.000 1.000 0.407 0.000 0.154 1.000 1178.5 69.820 13 72.058 31.244 32.467 126.34 98.70 0.350 47.911 incorrect
T48_P01.M10 0.000 1.000 0.481 0.000 0.188 1.000 1214.2 70.072 2 72.188 27.864 27.599 150.38 99.80 0.568 0.908 incorrect
T48_P46.M09 0.000 1.000 0.185 0.000 0.762 1.000 1442.6 71.676 10 73.405 29.599 30.954 99.86 97.00 0.423 0.908 incorrect
T48_P46.M08 0.000 1.000 0.037 0.000 0.960 1.000 1755.8 72.576 25 73.644 31.117 31.567 104.91 96.90 0.396 0.916 incorrect
T48_P43.M08 0.000 1.000 0.556 0.000 0.375 1.000 1785.6 72.758 87 74.154 33.804 34.862 99.89 98.70 0.350 47.911 incorrect
T48_P32.M03 0.000 1.000 0.370 0.000 0.546 1.000 1482.5 72.590 22 75.087 29.821 31.033 167.82 98.70 0.350 47.911 incorrect
T48_P46.M10 0.000 1.000 0.037 0.000 0.944 1.000 962.5 73.698 25 75.201 29.881 30.687 103.30 97.00 0.415 0.910 incorrect
T48_P43.M06 0.000 1.000 0.630 0.000 0.292 1.000 1757.9 76.638 59 78.013 34.799 35.622 98.35 98.70 0.350 47.911 incorrect
T48_P04.M03 0.000 1.000 0.000 0.000 1.000 1.000 598.2 76.610 37 78.322 31.679 31.927 150.81 99.80 0.350 0.908 incorrect
T48_P12.M10 0.000 1.000 0.556 0.000 0.348 1.000 1640.5 77.232 2 79.634 28.887 29.200 178.47 99.80 1.014 0.910 incorrect
T48_P43.M07 0.000 1.000 0.593 0.000 0.304 1.000 1596.7 78.913 56 80.492 35.045 35.778 111.17 98.70 0.350 47.911 incorrect
T48_P46.M03 0.000 1.000 0.444 0.000 0.200 1.000 1158.6 82.864 5 84.309 33.018 32.361 102.94 96.90 0.412 0.912 incorrect
T48_P43.M10 0.000 1.000 0.519 0.000 0.177 1.000 1158.7 84.032 49 85.527 38.479 38.805 117.98 98.70 0.350 47.911 incorrect
T48_P43.M09 0.000 1.000 0.593 0.000 0.273 1.000 1796.0 85.731 68 86.971 37.288 37.704 99.25 98.70 0.350 47.911 incorrect
T48_P29.M10 0.000 1.000 0.222 0.029 0.333 0.909 706.7 85.762 4 87.068 37.967 38.626 134.99 99.80 0.696 47.912 incorrect
T48_P29.M08 0.000 1.000 0.222 0.029 0.500 0.929 1018.3 87.407 7 88.644 39.472 40.137 144.98 99.80 0.631 47.912 incorrect
T48_P43.M04 0.000 1.000 0.556 0.029 0.286 0.958 1435.7 94.453 64 96.294 40.446 40.767 161.25 98.70 0.350 47.911 incorrect
T48_P43.M05 0.000 1.000 0.593 0.029 0.238 0.960 1330.6 96.735 54 98.483 41.476 41.791 148.17 98.70 0.350 47.911 incorrect
T48_P43.M03 0.000 1.000 0.519 0.000 0.300 1.000 1390.0 97.274 62 98.917 43.835 43.931 158.27 98.70 0.350 47.911 incorrect
T48_P43.M01 0.000 1.000 0.481 0.000 0.316 1.000 1421.2 97.642 46 99.451 43.632 43.866 168.85 98.70 0.350 47.911 incorrect
T48_P43.M02 0.000 1.000 0.481 0.000 0.278 1.000 1081.7 99.769 44 101.555 44.677 44.838 157.24 98.70 0.350 47.911 incorrect
T48_P29.M04 0.000 1.000 0.111 0.000 0.571 1.000 705.5 109.121 5 110.365 48.613 48.843 116.59 99.80 0.600 47.912 incorrect
T48_P29.M06 0.000 1.000 0.259 0.000 0.500 1.000 992.0 109.272 5 110.464 48.514 48.551 123.50 99.80 0.731 47.912 incorrect
T48_P29.M07 0.000 1.000 0.148 0.000 0.600 1.000 736.6 110.671 4 111.323 52.838 52.566 94.16 99.80 0.666 47.912 incorrect
T48_P29.M01 0.000 1.000 0.259 0.000 0.364 1.000 730.1 110.894 4 112.144 50.459 50.506 127.86 99.80 0.683 47.912 incorrect
T48_P29.M09 0.000 1.000 0.148 0.000 0.600 1.000 795.5 111.450 5 112.677 52.939 53.130 137.15 99.80 0.747 47.912 incorrect
T48_P29.M03 0.000 1.000 0.185 0.000 0.444 1.000 666.1 112.559 3 113.613 52.390 52.377 127.93 99.80 0.691 47.912 incorrect
T48_P29.M02 0.000 1.000 0.111 0.000 0.625 1.000 567.5 112.857 2 113.897 53.397 53.460 126.75 99.80 0.658 47.912 incorrect
T48_P29.M05 0.000 1.000 0.111 0.000 0.400 1.000 398.1 113.387 1 114.265 52.154 52.217 95.40 99.80 0.646 47.912 incorrect

Acceptable predictions 17, remaining 4 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)
T48_P44.M07 0.125 0.818 0.667 0.647 0.182 0.185 1333.8 4.855 13 5.818 2.301 2.813 22.47 99.80 0.350 0.908 acceptable
T48_P44.M01 0.312 0.659 0.593 0.676 0.304 0.179 1602.4 4.097 22 6.089 2.131 2.547 27.77 99.80 0.351 0.908 acceptable
T48_P48.M01 0.208 0.906 0.889 0.618 0.429 0.611 3183.0 4.659 49 7.023 4.117 4.608 35.15 99.80 0.350 0.908 acceptable
T48_P22.M02 0.188 0.915 0.852 0.588 0.452 0.623 3161.2 4.362 5 7.372 4.584 4.817 37.55 99.80 0.845 1.048 acceptable
T48_P12.M09 0.354 0.746 0.667 0.765 0.250 0.257 2101.7 3.983 7 7.650 3.431 4.098 46.87 99.80 0.902 0.908 acceptable
T48_P48.M07 0.250 0.809 0.741 0.824 0.286 0.222 1959.8 3.155 24 7.702 3.924 4.174 50.88 99.80 0.625 0.925 acceptable
T48_P37.M02 0.396 0.729 0.704 0.735 0.208 0.375 2143.8 5.095 31 7.856 3.024 3.465 40.92 99.80 0.350 0.922 acceptable
T48_P48.M06 0.417 0.649 0.556 0.706 0.250 0.273 1727.4 6.866 35 8.631 2.425 2.817 31.64 99.80 0.350 0.908 acceptable
T48_P44.M04 0.125 0.793 0.444 0.235 0.400 0.385 984.3 7.570 20 8.743 4.155 4.222 29.13 99.80 0.351 0.908 acceptable
T48_P37.M01 0.271 0.772 0.667 0.794 0.308 0.308 1988.9 3.827 41 8.757 4.081 4.529 57.11 99.80 0.350 0.920 acceptable
T48_P47.M07 0.312 0.746 0.667 0.647 0.280 0.371 1929.1 5.986 9 8.857 3.279 3.822 45.19 99.80 0.398 0.923 acceptable
T48_P37.M08 0.250 0.786 0.593 0.735 0.304 0.265 1861.0 6.330 8 9.004 3.414 3.904 44.35 99.80 0.350 0.919 acceptable
T48_P47.M05 0.208 0.792 0.556 0.676 0.286 0.179 1706.0 5.926 8 9.222 3.334 3.775 46.59 99.80 0.399 0.922 acceptable
T48_P12.M01 0.146 0.936 0.852 0.382 0.439 0.740 3248.8 7.298 20 9.510 5.135 5.452 44.32 99.80 1.056 0.908 acceptable
T48_P12.M05 0.188 0.848 0.704 0.588 0.441 0.310 2087.4 2.523 11 9.649 4.762 5.178 69.86 99.80 0.810 0.909 acceptable
T48_P47.M04 0.250 0.778 0.630 0.618 0.452 0.323 1843.7 6.055 6 9.820 5.065 5.509 59.23 99.80 0.394 0.922 acceptable
T48_P20.M07 0.292 0.813 0.704 0.647 0.457 0.488 2473.4 7.253 25 11.115 3.631 3.863 50.74 98.70 0.715 0.954 acceptable

Medium predictions 4, remaining 0 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)
T48_P12.M04 0.479 0.681 0.889 0.618 0.250 0.400 2393.6 1.918 14 3.600 2.431 2.794 17.76 99.80 1.029 0.907 medium
T48_P47.M03 0.375 0.581 0.778 0.706 0.192 0.294 1840.7 2.553 8 3.921 1.653 2.048 16.57 99.80 0.405 0.921 medium
T48_P12.M03 0.562 0.640 0.778 0.765 0.160 0.350 2253.9 1.490 9 3.979 2.192 2.895 25.89 99.80 0.969 0.908 medium
T48_P12.M08 0.625 0.546 0.815 0.735 0.154 0.342 2214.8 3.453 8 4.662 1.526 2.191 18.00 99.80 1.055 0.908 medium

High quality predictions 3, 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_48_xray 1.000 0.000 1.000 1.000 0.000 0.000 1826.4 0.000 2 0.000 0.000 0.000 0.00 100.00 0.000 0.000 high
unbound 0.708 0.433 0.704 0.735 0.136 0.167 1881.8 0.704 64 0.840 0.584 1.423 1.76 99.80 0.350 0.908 high
interface 0.708 0.443 0.778 0.735 0.125 0.194 1900.0 0.744 71 0.908 0.590 1.425 2.31 99.80 0.350 0.908 high