Results for CAPRI round 23 target T49

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: 132.68
Average: 41.69
StdDev: 45.50
Sequence Identity threshold filtering: 70.0

Eliminated 23, remaining 135 predictions

Removed predictions:

(nclash > 132.68)
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)
T49_P28.M02 0.146 0.951 0.704 0.588 0.587 0.608 3331.1 6.310 232 11.201 4.768 5.311 65.49 98.70 0.350 0.840 clashes,incorrect
T49_P28.M03 0.188 0.958 0.704 0.735 0.678 0.638 4586.7 8.498 335 12.788 4.422 4.881 55.77 98.70 0.350 0.837 clashes,incorrect
T49_P28.M01 0.146 0.944 0.481 0.706 0.649 0.478 2939.9 4.181 215 13.471 6.015 6.629 105.44 98.70 0.350 0.842 clashes,incorrect
T49_P28.M06 0.167 0.967 0.593 0.618 0.660 0.644 3781.3 9.941 622 16.593 6.136 6.822 103.48 98.70 0.350 0.841 clashes,incorrect
T49_P27.M01 0.000 1.000 0.519 0.559 0.696 0.648 3418.5 10.385 139 19.566 7.199 7.940 109.80 98.70 0.356 0.844 clashes,incorrect
T49_P27.M02 0.000 1.000 0.556 0.559 0.681 0.642 3431.7 10.385 136 19.566 7.199 7.942 109.80 98.70 0.356 0.845 clashes,incorrect
T49_P27.M03 0.000 1.000 0.556 0.559 0.681 0.661 3473.6 10.385 139 19.566 7.199 7.942 109.80 98.70 0.355 0.845 clashes,incorrect
T49_P28.M05 0.083 0.986 0.519 0.559 0.746 0.753 4203.3 11.231 763 20.069 6.725 7.574 160.22 98.70 0.350 0.844 clashes,incorrect
T49_P23.M04 0.021 0.993 0.852 0.735 0.521 0.554 3705.0 10.156 171 20.716 8.538 9.331 179.03 99.80 0.350 0.832 clashes,incorrect
T49_P27.M07 0.083 0.977 0.519 0.088 0.622 0.925 2657.5 20.059 329 28.661 12.797 13.905 176.01 98.70 0.371 0.846 clashes,incorrect
T49_P27.M08 0.000 1.000 0.370 0.029 0.600 0.962 1617.6 28.334 150 33.892 15.401 15.179 165.94 98.70 0.356 0.840 clashes,incorrect
T49_P27.M10 0.000 1.000 0.519 0.088 0.462 0.885 1716.2 31.967 165 36.568 14.843 14.710 168.41 98.70 0.364 0.848 clashes,incorrect
T49_P42.M04 0.021 0.994 0.667 0.088 0.455 0.917 2208.1 34.784 543 37.541 14.456 14.527 113.75 99.80 0.350 0.832 clashes,incorrect
T49_P42.M06 0.000 1.000 0.481 0.000 0.581 1.000 2070.0 37.900 635 40.166 16.441 16.402 111.41 99.80 0.350 0.832 clashes,incorrect
T49_P42.M07 0.000 1.000 0.148 0.000 0.867 1.000 1808.9 39.839 311 43.656 19.910 19.732 141.99 99.80 0.350 0.832 clashes,incorrect
T49_P40.M04 0.000 1.000 0.778 0.000 0.618 1.000 4055.4 48.746 667 51.958 16.256 16.348 136.19 99.60 0.350 0.917 clashes,incorrect
T49_P40.M05 0.000 1.000 0.815 0.000 0.522 1.000 3253.0 52.160 339 55.103 17.567 17.698 139.32 99.60 0.350 0.917 clashes,incorrect
T49_P42.M10 0.000 1.000 0.741 0.000 0.394 1.000 2637.6 61.301 684 64.092 21.358 21.233 149.20 99.80 0.350 0.832 clashes,incorrect
T49_P42.M08 0.000 1.000 0.148 0.000 0.926 1.000 3366.5 61.806 973 64.448 26.610 25.933 155.32 99.80 0.350 0.832 clashes,incorrect
T49_P42.M03 0.000 1.000 0.259 0.000 0.781 1.000 2159.8 64.806 437 65.977 26.699 25.856 105.95 99.80 0.350 0.832 clashes,incorrect
T49_P42.M05 0.000 1.000 0.667 0.000 0.486 1.000 2315.7 64.474 517 66.897 23.570 23.170 163.60 99.80 0.350 0.832 clashes,incorrect
T49_P42.M01 0.000 1.000 0.630 0.000 0.346 1.000 1515.3 65.305 287 67.739 23.210 22.919 146.27 99.80 0.351 0.832 clashes,incorrect
T49_P42.M09 0.000 1.000 0.148 0.000 0.897 1.000 2911.9 65.707 404 68.424 27.991 27.183 169.64 99.80 0.351 0.832 clashes,incorrect

Eliminated 0, remaining 135 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 123, remaining 12 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)
T49_P49.M04 0.083 0.949 0.852 0.618 0.378 0.553 2825.8 4.275 19 7.162 3.860 4.284 37.35 99.80 0.406 0.844 incorrect
T49_P05.M09 0.062 0.960 0.704 0.529 0.457 0.581 2815.3 6.384 24 8.653 4.440 4.911 43.52 99.80 0.710 0.964 incorrect
T49_P22.M06 0.042 0.946 0.556 0.382 0.500 0.381 1537.4 4.053 21 9.001 3.913 4.492 58.94 98.70 0.351 0.832 incorrect
T49_P22.M04 0.062 0.909 0.370 0.294 0.565 0.375 1061.7 4.932 11 9.119 4.244 4.379 49.98 98.70 0.350 0.832 incorrect
T49_P07.M09 0.062 0.952 0.593 0.676 0.429 0.361 2061.2 5.365 27 9.154 3.340 3.638 46.29 99.80 0.350 0.832 incorrect
T49_P22.M02 0.062 0.925 0.556 0.382 0.423 0.350 1365.0 2.851 19 9.553 4.293 4.588 55.78 98.70 0.350 0.832 incorrect
T49_P22.M03 0.000 1.000 0.556 0.324 0.500 0.421 1384.3 4.922 21 9.716 4.198 4.747 61.79 98.70 0.350 0.832 incorrect
T49_P22.M01 0.104 0.902 0.630 0.294 0.414 0.565 1621.7 3.737 32 10.002 5.047 5.521 56.50 98.70 0.350 0.832 incorrect
T49_P05.M03 0.104 0.919 0.556 0.559 0.516 0.406 1932.0 5.151 17 10.079 5.045 5.415 62.85 99.80 0.592 0.936 incorrect
T49_P28.M04 0.146 0.936 0.704 0.647 0.513 0.532 2847.8 7.523 124 10.197 4.665 5.101 47.45 98.70 0.350 0.842 incorrect
T49_P07.M04 0.229 0.750 0.519 0.647 0.417 0.185 1657.1 5.458 32 10.426 4.928 5.306 69.17 99.80 0.350 0.832 incorrect
T49_P22.M05 0.062 0.897 0.481 0.441 0.409 0.211 1181.0 3.569 24 10.962 5.051 5.467 78.44 98.70 0.350 0.832 incorrect
T49_P49.M01 0.229 0.800 0.667 0.441 0.486 0.531 1926.5 10.420 8 11.688 4.633 4.921 37.92 99.80 0.391 0.846 incorrect
T49_P10.M01 0.125 0.932 0.667 0.647 0.550 0.532 2855.4 8.788 35 11.896 4.650 5.151 55.24 99.10 0.406 0.837 incorrect
T49_P41.M06 0.125 0.951 0.852 0.647 0.540 0.600 3747.9 6.646 12 12.007 5.685 6.272 58.52 99.80 0.866 0.834 incorrect
T49_P13.M06 0.062 0.970 0.630 0.500 0.585 0.638 3043.3 4.334 46 12.047 5.831 6.555 91.17 99.80 0.350 0.832 incorrect
T49_P02.M08 0.062 0.974 0.593 0.559 0.619 0.667 3474.5 5.141 91 12.170 5.771 6.408 80.67 99.80 0.350 0.832 incorrect
T49_P41.M04 0.062 0.965 0.704 0.559 0.578 0.596 2934.1 6.460 14 12.243 5.987 6.518 61.03 99.80 0.962 0.834 incorrect
T49_P13.M03 0.021 0.987 0.593 0.353 0.500 0.755 2647.8 10.434 33 12.427 5.781 6.499 50.48 99.80 0.436 0.836 incorrect
T49_P49.M07 0.042 0.956 0.481 0.676 0.409 0.115 1636.7 7.020 12 12.564 4.251 4.629 62.39 99.80 0.401 0.846 incorrect
T49_P02.M07 0.062 0.976 0.593 0.529 0.636 0.684 3639.6 4.771 106 12.769 5.697 6.340 86.48 99.80 0.350 0.832 incorrect
T49_P02.M06 0.062 0.976 0.593 0.529 0.628 0.705 3622.8 4.942 103 12.834 5.838 6.482 86.48 99.80 0.350 0.832 incorrect
T49_P49.M09 0.062 0.952 0.704 0.765 0.500 0.395 2581.0 7.720 9 12.993 4.633 5.076 62.79 99.80 0.396 0.846 incorrect
T49_P49.M10 0.042 0.971 0.519 0.706 0.632 0.250 2356.8 3.812 12 13.002 6.594 6.930 102.50 99.80 0.410 0.844 incorrect
T49_P02.M02 0.021 0.983 0.370 0.441 0.714 0.595 2001.6 3.003 34 13.058 6.383 6.915 91.78 99.80 0.350 0.832 incorrect
T49_P07.M05 0.062 0.954 0.704 0.735 0.500 0.444 2313.6 8.685 45 13.709 4.721 5.184 64.09 99.80 0.350 0.832 incorrect
T49_P13.M08 0.104 0.922 0.667 0.794 0.438 0.250 2162.5 5.992 25 14.004 5.388 5.665 76.90 99.80 0.350 0.832 incorrect
T49_P02.M05 0.000 1.000 0.333 0.412 0.710 0.600 1863.0 4.925 32 14.145 7.306 7.792 88.96 99.80 0.350 0.832 incorrect
T49_P41.M02 0.042 0.952 0.259 0.353 0.741 0.556 1677.0 3.567 10 14.266 7.375 7.770 92.73 99.80 0.879 0.837 incorrect
T49_P05.M02 0.062 0.958 0.333 0.853 0.757 0.370 2493.4 4.132 23 14.323 6.659 6.978 109.55 99.80 0.639 0.954 incorrect
T49_P22.M08 0.021 0.970 0.296 0.294 0.667 0.333 1111.7 6.840 16 14.592 6.843 6.823 97.18 98.70 0.350 0.832 incorrect
T49_P09.M08 0.062 0.960 0.704 0.706 0.472 0.368 2548.1 8.348 19 14.642 5.494 6.012 77.47 99.80 0.678 0.831 incorrect
T49_P02.M04 0.021 0.980 0.370 0.471 0.697 0.610 2046.6 2.263 21 14.760 7.249 7.754 111.80 99.80 0.350 0.832 incorrect
T49_P23.M01 0.042 0.986 0.630 0.824 0.653 0.491 3840.6 6.603 117 14.775 5.969 6.480 84.10 99.80 0.350 0.832 incorrect
T49_P49.M06 0.000 1.000 0.407 0.618 0.560 0.192 1690.3 10.150 9 15.100 5.085 5.443 72.63 99.80 0.406 0.845 incorrect
T49_P05.M01 0.042 0.982 0.852 0.441 0.521 0.727 3532.3 13.159 23 15.188 5.279 5.614 47.13 99.80 0.629 0.944 incorrect
T49_P11.M08 0.042 0.983 0.667 0.882 0.640 0.464 3770.9 6.238 9 15.210 6.061 6.517 90.34 99.80 0.797 0.973 incorrect
T49_P10.M09 0.104 0.934 0.296 0.765 0.778 0.381 2552.7 5.976 12 15.524 6.820 7.072 113.65 99.10 0.453 0.836 incorrect
T49_P23.M03 0.021 0.993 0.593 0.882 0.680 0.516 4011.3 6.408 124 15.635 6.022 6.495 90.49 99.80 0.350 0.832 incorrect
T49_P49.M03 0.083 0.939 0.296 0.794 0.765 0.325 2465.9 5.852 8 15.812 7.027 7.288 119.64 99.80 0.384 0.845 incorrect
T49_P07.M01 0.104 0.930 0.519 0.676 0.576 0.378 2220.5 2.177 60 15.857 7.520 8.050 168.31 99.80 0.350 0.832 incorrect
T49_P28.M09 0.083 0.963 0.333 0.824 0.769 0.391 2970.5 6.417 22 15.890 6.614 6.863 115.02 98.70 0.350 0.840 incorrect
T49_P07.M06 0.167 0.860 0.741 0.647 0.459 0.371 2147.6 8.284 43 16.078 6.393 7.023 104.22 99.80 0.350 0.832 incorrect
T49_P05.M06 0.083 0.933 0.556 0.588 0.559 0.459 2198.2 3.721 18 16.152 7.305 8.150 170.38 99.80 0.805 0.942 incorrect
T49_P23.M07 0.000 1.000 0.481 0.676 0.711 0.589 3242.9 8.378 90 16.296 6.060 6.487 97.62 99.80 0.350 0.832 incorrect
T49_P23.M06 0.000 1.000 0.593 0.794 0.673 0.526 3657.3 7.047 126 16.622 7.867 8.602 147.26 99.80 0.350 0.832 incorrect
T49_P23.M02 0.000 1.000 0.519 0.794 0.725 0.526 3439.7 6.735 77 16.677 7.843 8.524 146.00 99.80 0.350 0.832 incorrect
T49_P49.M05 0.104 0.921 0.630 0.588 0.469 0.429 2281.6 9.580 7 16.840 7.213 7.938 118.84 99.80 0.410 0.846 incorrect
T49_P07.M02 0.042 0.961 0.519 0.618 0.588 0.400 2161.7 1.685 34 16.878 7.262 7.632 162.03 99.80 0.350 0.832 incorrect
T49_P23.M05 0.000 1.000 0.556 0.912 0.694 0.456 3450.4 8.250 122 17.265 7.877 8.517 144.05 99.80 0.350 0.832 incorrect
T49_P05.M04 0.083 0.950 0.593 0.529 0.543 0.609 2684.9 6.933 17 17.540 7.024 7.932 173.62 99.80 0.786 0.956 incorrect
T49_P05.M10 0.000 1.000 0.481 0.500 0.683 0.595 2181.3 11.153 13 17.746 5.833 6.187 90.36 99.80 0.724 0.948 incorrect
T49_P22.M07 0.000 1.000 0.185 0.235 0.792 0.556 1220.0 5.602 12 17.783 7.918 8.252 162.80 98.70 0.350 0.832 incorrect
T49_P23.M10 0.042 0.983 0.370 0.824 0.787 0.364 2920.9 9.275 113 17.861 8.065 8.515 140.70 99.80 0.350 0.832 incorrect
T49_P14.M02 0.000 1.000 0.222 0.559 0.786 0.406 2003.2 9.373 14 17.886 9.314 9.665 107.02 99.80 0.741 0.831 incorrect
T49_P13.M10 0.062 0.968 0.519 0.765 0.674 0.381 2841.2 7.914 36 18.369 7.476 7.869 126.97 99.80 0.461 0.834 incorrect
T49_P14.M01 0.000 1.000 0.296 0.588 0.704 0.310 1912.9 6.473 13 19.100 10.097 10.294 127.13 99.80 0.652 0.831 incorrect
T49_P28.M10 0.208 0.859 0.519 0.647 0.533 0.312 2164.8 15.077 14 19.105 5.968 6.068 75.06 98.70 0.350 0.844 incorrect
T49_P09.M09 0.000 1.000 0.148 0.559 0.833 0.321 1807.5 8.189 15 19.177 9.969 10.508 157.06 99.80 0.705 0.831 incorrect
T49_P41.M09 0.000 1.000 0.778 0.147 0.488 0.906 3097.8 18.633 7 19.278 8.984 9.129 27.80 99.80 0.921 0.835 incorrect
T49_P09.M10 0.000 1.000 0.407 0.618 0.761 0.500 2862.7 8.959 15 19.318 7.302 7.942 126.40 99.80 0.642 0.831 incorrect
T49_P11.M07 0.000 1.000 0.704 0.529 0.548 0.679 3143.3 11.425 7 19.436 8.953 9.973 174.60 99.80 0.758 0.969 incorrect
T49_P09.M07 0.000 1.000 0.148 0.529 0.889 0.357 2170.5 7.845 17 19.565 7.978 8.447 125.67 99.80 0.799 0.831 incorrect
T49_P09.M06 0.062 0.975 0.296 0.676 0.833 0.521 3486.5 5.305 18 19.575 8.728 9.321 149.63 99.80 0.970 0.831 incorrect
T49_P23.M08 0.167 0.904 0.593 0.529 0.529 0.609 2618.2 8.576 32 19.744 7.311 7.968 171.93 99.80 0.350 0.832 incorrect
T49_P13.M07 0.000 1.000 0.630 0.235 0.553 0.822 2651.2 12.632 31 19.781 7.958 8.805 103.82 99.80 0.581 0.833 incorrect
T49_P02.M03 0.021 0.980 0.185 0.206 0.821 0.696 1698.2 8.147 71 19.898 10.100 10.351 129.96 99.80 0.350 0.832 incorrect
T49_P02.M01 0.000 1.000 0.333 0.618 0.827 0.618 3535.5 11.539 68 20.053 9.368 9.899 139.06 99.80 0.350 0.832 incorrect
T49_P07.M10 0.188 0.892 0.593 0.471 0.568 0.667 2723.6 9.379 28 20.093 7.379 8.095 177.43 99.80 0.350 0.832 incorrect
T49_P13.M02 0.000 1.000 0.704 0.529 0.500 0.647 3286.8 11.829 48 20.366 8.958 9.994 178.81 99.80 0.437 0.848 incorrect
T49_P09.M05 0.000 1.000 0.148 0.676 0.913 0.465 2786.0 11.221 13 20.408 9.610 10.074 151.53 99.80 0.895 0.831 incorrect
T49_P11.M10 0.021 0.993 0.741 0.647 0.630 0.633 3672.5 12.961 5 20.661 9.048 10.117 116.59 99.80 0.718 0.983 incorrect
T49_P05.M05 0.188 0.908 0.630 0.471 0.575 0.709 3327.7 10.810 17 20.856 7.483 8.216 176.32 99.80 0.663 0.953 incorrect
T49_P07.M07 0.104 0.881 0.593 0.618 0.360 0.125 1462.4 12.200 16 20.876 8.744 9.153 146.70 99.80 0.350 0.832 incorrect
T49_P28.M08 0.000 1.000 0.444 0.706 0.714 0.600 3430.2 11.380 130 20.987 8.393 8.917 151.36 98.70 0.350 0.837 incorrect
T49_P41.M10 0.000 1.000 0.259 0.206 0.696 0.650 1645.7 8.459 9 21.651 11.655 12.094 144.51 99.80 0.873 0.833 incorrect
T49_P07.M08 0.167 0.909 0.593 0.559 0.610 0.642 2860.3 11.940 21 21.712 7.633 8.297 171.88 99.80 0.350 0.832 incorrect
T49_P05.M08 0.062 0.966 0.778 0.559 0.512 0.620 3093.9 11.856 26 21.774 8.294 9.057 175.20 99.80 0.741 0.951 incorrect
T49_P11.M05 0.167 0.935 0.630 0.471 0.605 0.709 3447.6 12.460 10 21.828 7.633 8.344 170.88 99.80 0.724 0.978 incorrect
T49_P23.M09 0.021 0.989 0.852 0.559 0.465 0.596 2791.6 11.577 75 21.952 8.334 9.141 176.81 99.80 0.350 0.832 incorrect
T49_P28.M07 0.146 0.945 0.556 0.471 0.659 0.724 3416.0 14.898 92 23.465 7.717 8.399 165.90 98.70 0.350 0.838 incorrect
T49_P13.M05 0.042 0.981 0.519 0.324 0.667 0.788 3012.6 16.002 22 23.943 7.598 8.406 176.85 99.80 0.533 0.850 incorrect
T49_P27.M04 0.000 1.000 0.630 0.088 0.190 0.889 1596.4 18.624 125 26.064 10.751 12.130 151.98 98.70 0.387 0.843 incorrect
T49_P14.M08 0.000 1.000 0.444 0.118 0.455 0.852 1617.9 19.772 10 26.746 11.982 11.978 168.02 99.80 0.822 0.831 incorrect
T49_P14.M09 0.000 1.000 0.148 0.265 0.790 0.571 1401.4 18.236 8 26.793 13.841 13.954 142.06 99.80 0.675 0.831 incorrect
T49_P27.M06 0.000 1.000 0.370 0.029 0.474 0.952 1130.8 25.199 108 30.701 14.150 14.146 155.10 98.70 0.367 0.844 incorrect
T49_P27.M05 0.000 1.000 0.481 0.059 0.500 0.931 1951.4 26.297 83 31.474 13.512 13.367 156.65 98.70 0.358 0.842 incorrect
T49_P27.M09 0.000 1.000 0.333 0.000 0.471 1.000 1124.0 30.220 74 35.474 15.614 15.379 171.31 98.70 0.355 0.840 incorrect
T49_P11.M09 0.000 1.000 0.333 0.000 0.833 1.000 3905.8 52.350 13 52.829 20.342 20.153 45.37 99.80 0.733 0.987 incorrect
T49_P41.M08 0.000 1.000 0.630 0.000 0.575 1.000 3658.0 52.093 14 54.046 19.437 18.780 115.85 99.80 1.105 0.838 incorrect
T49_P10.M03 0.000 1.000 0.704 0.000 0.578 1.000 3210.3 52.405 38 54.839 18.744 18.128 132.78 99.10 0.391 0.836 incorrect
T49_P13.M01 0.000 1.000 0.741 0.000 0.487 1.000 3311.5 52.248 29 55.020 18.342 17.918 144.62 99.80 0.529 0.833 incorrect
T49_P11.M01 0.000 1.000 0.778 0.000 0.500 1.000 3375.4 52.823 9 55.505 18.499 17.910 140.98 99.80 0.789 0.979 incorrect
T49_P10.M02 0.000 1.000 0.630 0.000 0.575 1.000 2912.3 52.615 42 55.890 17.973 17.603 166.01 99.10 0.441 0.835 incorrect
T49_P11.M06 0.000 1.000 0.667 0.000 0.633 1.000 3648.4 53.042 8 55.967 18.294 17.717 145.33 99.80 0.856 1.000 incorrect
T49_P11.M04 0.000 1.000 0.630 0.000 0.605 1.000 3495.1 52.881 7 56.263 19.393 18.989 141.72 99.80 0.735 0.998 incorrect
T49_P11.M03 0.000 1.000 0.889 0.000 0.529 1.000 3285.8 54.261 7 57.726 18.674 18.196 163.53 99.80 0.829 1.014 incorrect
T49_P14.M10 0.000 1.000 0.481 0.000 0.594 1.000 1996.1 55.420 17 57.819 23.978 23.049 106.14 99.80 0.897 0.831 incorrect
T49_P14.M07 0.000 1.000 0.519 0.000 0.533 1.000 1962.3 56.478 13 58.766 21.140 20.527 101.76 99.80 0.775 0.831 incorrect
T49_P10.M05 0.000 1.000 0.556 0.000 0.464 1.000 1807.7 55.868 15 59.115 19.309 19.031 175.48 99.10 0.428 0.835 incorrect
T49_P10.M06 0.000 1.000 0.444 0.000 0.571 1.000 1969.0 56.395 25 59.594 20.831 20.726 139.34 99.10 0.426 0.835 incorrect
T49_P10.M08 0.000 1.000 0.519 0.000 0.533 1.000 1932.9 56.645 21 60.206 22.798 22.501 178.78 99.10 0.427 0.835 incorrect
T49_P10.M04 0.000 1.000 0.815 0.000 0.267 1.000 2048.9 57.645 15 60.739 19.943 19.642 171.73 99.10 0.412 0.836 incorrect
T49_P40.M09 0.000 1.000 0.630 0.000 0.261 1.000 1832.3 58.118 68 60.967 19.959 19.116 139.03 99.60 0.350 0.917 incorrect
T49_P09.M03 0.000 1.000 0.185 0.000 0.872 1.000 2965.2 60.444 18 62.054 23.862 23.873 92.53 99.80 1.066 0.831 incorrect
T49_P22.M09 0.000 1.000 0.667 0.000 0.471 1.000 2233.3 59.635 43 63.140 23.588 22.521 173.98 98.70 0.350 0.832 incorrect
T49_P09.M02 0.000 1.000 0.148 0.000 0.840 1.000 1458.4 63.417 9 65.484 25.486 25.261 113.26 99.80 0.598 0.831 incorrect
T49_P10.M10 0.000 1.000 0.519 0.000 0.300 1.000 1485.2 62.627 9 65.751 22.652 22.771 158.38 99.10 0.408 0.835 incorrect
T49_P40.M10 0.000 1.000 0.519 0.000 0.177 1.000 1158.7 66.856 49 68.131 24.927 23.977 94.45 99.60 0.350 0.917 incorrect
T49_P09.M01 0.000 1.000 0.111 0.000 0.812 1.000 1080.6 67.332 10 69.427 28.590 28.330 176.33 99.80 0.653 0.831 incorrect
T49_P40.M01 0.000 1.000 0.481 0.000 0.316 1.000 1421.2 67.592 46 70.039 23.705 23.994 141.64 99.60 0.350 0.917 incorrect
T49_P40.M07 0.000 1.000 0.593 0.000 0.304 1.000 1596.7 67.583 56 70.127 24.214 23.204 155.98 99.60 0.350 0.917 incorrect
T49_P40.M02 0.000 1.000 0.481 0.000 0.278 1.000 1081.8 68.403 44 70.544 24.284 24.540 125.16 99.60 0.350 0.917 incorrect
T49_P09.M04 0.000 1.000 0.111 0.000 0.842 1.000 1435.5 70.037 10 70.766 28.796 28.137 72.48 99.80 0.695 0.831 incorrect
T49_P14.M04 0.000 1.000 0.333 0.000 0.654 1.000 1643.1 69.391 10 71.016 25.330 25.476 118.99 99.80 0.566 0.831 incorrect
T49_P40.M03 0.000 1.000 0.519 0.000 0.300 1.000 1390.1 68.972 62 71.374 24.057 24.157 142.77 99.60 0.350 0.917 incorrect
T49_P14.M06 0.000 1.000 0.222 0.000 0.667 1.000 1455.0 69.097 6 71.430 26.016 25.621 136.60 99.80 0.746 0.831 incorrect
T49_P14.M03 0.000 1.000 0.407 0.000 0.593 1.000 1777.1 69.404 6 71.468 26.511 27.193 111.83 99.80 0.838 0.831 incorrect
T49_P14.M05 0.000 1.000 0.111 0.000 0.769 1.000 931.2 70.467 2 72.771 27.223 27.929 122.76 99.80 0.650 0.831 incorrect
T49_P40.M06 0.000 1.000 0.630 0.000 0.292 1.000 1757.9 71.062 59 73.629 25.347 24.323 154.42 99.60 0.350 0.917 incorrect
T49_P42.M02 0.000 1.000 0.259 0.000 0.650 1.000 1174.0 72.186 108 74.815 29.099 27.988 142.54 99.80 0.349 0.832 incorrect
T49_P40.M08 0.000 1.000 0.556 0.000 0.375 1.000 1785.6 73.357 87 75.834 26.311 25.306 154.67 99.60 0.350 0.917 incorrect
T49_P22.M10 0.000 1.000 0.074 0.000 0.920 1.000 1776.5 74.933 31 76.343 30.308 30.172 113.12 98.70 0.350 0.832 incorrect

Acceptable predictions 11, remaining 1 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)
T49_P41.M03 0.333 0.790 0.852 0.529 0.324 0.591 2664.1 4.303 11 5.045 2.519 3.067 16.62 99.80 0.941 0.833 acceptable
T49_P49.M08 0.312 0.674 0.778 0.588 0.344 0.333 1693.9 4.765 9 5.678 2.177 2.594 19.39 99.80 0.397 0.845 acceptable
T49_P13.M04 0.146 0.881 0.741 0.588 0.375 0.355 2230.7 3.981 20 6.952 3.516 3.867 33.61 99.80 0.372 0.833 acceptable
T49_P11.M02 0.104 0.952 0.852 0.618 0.465 0.596 3143.0 4.379 6 7.196 3.878 4.430 36.53 99.80 1.124 0.995 acceptable
T49_P41.M01 0.167 0.916 0.889 0.618 0.385 0.596 3168.5 5.171 15 7.330 3.849 4.324 34.27 99.80 0.952 0.833 acceptable
T49_P41.M07 0.188 0.855 0.630 0.529 0.433 0.486 2269.1 2.108 10 7.609 3.409 3.917 45.24 99.80 0.879 0.833 acceptable
T49_P07.M03 0.208 0.863 0.815 0.618 0.371 0.523 2621.8 4.931 55 8.332 3.309 3.720 39.19 99.80 0.350 0.832 acceptable
T49_P13.M09 0.458 0.690 0.630 0.765 0.370 0.212 2158.1 6.076 23 9.171 2.930 3.169 41.71 99.80 0.350 0.832 acceptable
T49_P49.M02 0.104 0.911 0.741 0.676 0.394 0.378 2169.2 4.371 5 10.522 3.980 4.349 55.03 99.80 0.396 0.845 acceptable
T49_P05.M07 0.292 0.813 0.704 0.647 0.457 0.488 2473.3 7.164 25 11.052 3.144 3.526 50.69 99.80 0.715 0.952 acceptable
T49_P10.M07 0.250 0.842 0.593 0.853 0.360 0.237 2224.9 6.540 12 11.488 3.594 3.910 61.54 99.10 0.405 0.836 acceptable

Medium predictions 1, 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)
T49_P41.M05 0.479 0.635 0.778 0.588 0.250 0.333 2025.5 1.602 6 4.509 2.083 2.677 27.90 99.80 0.898 0.832 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_49_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 0.812 0.443 0.889 0.676 0.111 0.207 2039.5 0.427 104 0.606 0.613 1.309 1.48 99.80 0.350 0.832 high
interface 0.812 0.435 0.889 0.676 0.143 0.207 2053.8 0.432 101 0.649 0.617 1.310 1.99 99.80 0.350 0.832 high