Results for CAPRI round 31 target T97

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: 270

Clashes threshold filtering: 72.27
Average: 16.70
StdDev: 27.78
Sequence Identity threshold filtering: 70.0

Eliminated 9, remaining 261 predictions

Removed predictions:

(nclash > 72.27)
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)
unbound 0.451 0.626 0.758 0.949 0.306 0.159 2696.1 0.479 199 2.617 2.423 2.986 1.76 79.40 2.557 0.408 clashes,medium
interface 0.378 0.508 0.697 0.897 0.233 0.103 2270.5 1.544 137 3.127 2.507 3.090 4.53 79.40 2.557 0.408 clashes,medium
T97_P37.M08 0.024 0.981 0.848 0.692 0.282 0.342 2931.6 22.633 171 25.566 7.416 8.296 52.30 98.70 4.544 0.411 clashes,incorrect
T97_P37.M04 0.049 0.957 0.788 0.385 0.212 0.643 2742.4 22.800 186 27.237 7.066 7.970 66.15 98.70 4.544 0.411 clashes,incorrect
T97_P37.M03 0.024 0.981 0.939 0.154 0.205 0.857 3159.8 28.107 206 37.672 15.396 16.423 171.52 98.70 4.544 0.411 clashes,incorrect
T97_P37.M02 0.061 0.954 0.727 0.231 0.314 0.809 2984.4 30.336 145 38.571 15.231 16.521 161.59 98.70 4.544 0.411 clashes,incorrect
T97_P37.M10 0.000 1.000 0.333 0.333 0.389 0.552 1775.7 36.919 125 38.582 13.011 13.726 51.35 98.70 4.544 0.411 clashes,incorrect
T97_P37.M01 0.012 0.992 0.758 0.256 0.405 0.800 3088.4 32.816 233 38.807 10.738 11.595 107.79 98.70 4.544 0.411 clashes,incorrect
T97_P10.M05 0.000 1.000 0.273 0.000 0.690 1.000 1907.5 53.157 78 57.332 15.544 16.319 158.21 98.20 2.320 0.408 clashes,incorrect

Eliminated 0, remaining 261 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 244, remaining 17 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)
T97_P12.M10 0.098 0.867 0.667 0.667 0.267 0.333 2206.0 8.181 2 9.122 4.353 5.242 18.85 98.70 0.599 0.618 incorrect
T97_P19.M07 0.268 0.667 0.818 0.641 0.206 0.194 2358.4 3.635 11 10.576 4.768 5.068 46.54 98.10 0.564 0.450 incorrect
T97_P49.M08 0.134 0.857 0.788 0.564 0.257 0.389 2559.5 9.277 9 11.780 4.881 5.437 35.38 98.10 0.814 0.850 incorrect
T97_P03.M08 0.134 0.874 0.788 0.692 0.316 0.325 2548.4 10.602 6 12.567 4.870 5.505 31.74 98.10 0.613 0.565 incorrect
T97_P38.M08 0.134 0.841 0.818 0.590 0.308 0.258 2367.4 3.653 35 13.041 6.149 6.591 59.99 98.70 0.569 0.422 incorrect
T97_P40.M01 0.110 0.775 0.576 0.410 0.000 0.333 1340.1 12.784 11 13.869 4.444 5.158 28.86 98.70 0.825 0.877 incorrect
T97_P27.M06 0.110 0.830 0.697 0.641 0.179 0.265 2066.5 6.393 6 15.352 6.985 7.210 67.43 98.20 0.506 0.433 incorrect
T97_P40.M08 0.183 0.651 0.606 0.385 0.167 0.286 1483.9 14.705 7 15.837 4.070 4.897 34.66 98.70 0.775 0.964 incorrect
T97_P23.M09 0.024 0.913 0.212 0.256 0.650 0.444 1104.7 15.137 1 15.915 5.749 6.449 27.94 98.70 0.553 0.597 incorrect
T97_P40.M07 0.110 0.816 0.667 0.590 0.185 0.233 1854.0 8.833 12 16.254 7.087 7.385 65.77 98.70 0.736 0.953 incorrect
T97_P37.M07 0.110 0.855 0.667 0.513 0.185 0.444 2099.0 14.641 71 17.266 5.188 5.884 37.84 98.70 4.544 0.411 incorrect
T97_P49.M01 0.098 0.922 0.818 0.487 0.357 0.472 2853.0 16.108 10 19.010 5.451 6.227 51.69 98.10 0.807 0.861 incorrect
T97_P23.M01 0.000 1.000 0.485 0.359 0.273 0.263 1089.1 19.699 5 20.177 6.949 8.012 22.85 98.70 0.553 0.597 incorrect
T97_P16.M07 0.073 0.924 0.697 0.462 0.233 0.538 2561.2 17.093 13 20.301 5.326 6.236 56.31 98.70 0.582 0.520 incorrect
T97_P16.M04 0.061 0.941 0.727 0.462 0.429 0.561 2882.0 15.482 11 20.397 6.586 7.441 67.86 98.70 0.619 0.535 incorrect
T97_P23.M02 0.000 1.000 0.000 0.359 1.000 0.462 1347.4 14.823 2 20.787 12.837 14.113 94.37 98.70 0.553 0.597 incorrect
T97_P39.M01 0.049 0.952 0.606 0.744 0.474 0.275 2566.0 5.594 7 21.057 11.200 11.453 108.87 98.70 0.998 1.128 incorrect
T97_P38.M05 0.061 0.938 0.758 0.436 0.405 0.564 2703.4 16.193 34 21.092 6.706 7.534 69.22 98.70 0.569 0.422 incorrect
T97_P27.M08 0.037 0.946 0.667 0.538 0.214 0.276 1741.0 16.423 24 21.197 8.259 8.907 65.17 98.20 0.602 0.426 incorrect
T97_P15.M07 0.085 0.899 0.879 0.436 0.356 0.514 3064.3 18.910 20 21.217 6.156 7.225 49.42 98.70 0.605 0.687 incorrect
T97_P22.M04 0.049 0.938 0.697 0.385 0.207 0.531 2145.1 17.968 14 21.475 5.562 6.496 61.33 98.70 0.589 0.497 incorrect
T97_P49.M03 0.024 0.978 0.879 0.436 0.171 0.575 2815.2 19.688 7 22.128 5.852 6.560 52.56 98.10 0.953 0.897 incorrect
T97_P03.M02 0.000 1.000 0.636 0.436 0.300 0.452 1949.9 17.349 5 22.810 9.630 10.372 82.77 98.10 0.616 0.570 incorrect
T97_P15.M02 0.085 0.916 0.667 0.385 0.421 0.605 2672.7 19.812 22 22.844 6.986 8.110 58.05 98.70 0.693 0.683 incorrect
T97_P23.M04 0.012 0.964 0.333 0.333 0.312 0.567 1344.2 17.293 2 22.900 7.997 8.717 79.74 98.70 0.553 0.597 incorrect
T97_P13.M08 0.061 0.918 0.636 0.564 0.192 0.312 2050.5 18.806 11 23.082 7.537 8.020 64.60 98.70 0.833 0.730 incorrect
T97_P24.M08 0.012 0.986 0.727 0.333 0.111 0.567 2101.1 22.274 8 23.998 7.086 7.886 48.87 98.70 0.685 0.681 incorrect
T97_P07.M03 0.000 1.000 0.727 0.487 0.250 0.486 2309.0 20.042 36 24.023 8.274 9.321 68.65 98.20 1.071 0.408 incorrect
T97_P07.M02 0.012 0.983 0.606 0.359 0.200 0.562 2009.5 22.130 33 24.156 7.222 7.917 50.18 98.20 0.935 0.408 incorrect
T97_P15.M09 0.024 0.979 0.121 0.231 0.918 0.769 2813.2 18.700 18 24.198 9.676 11.661 103.99 98.70 0.587 0.610 incorrect
T97_P49.M10 0.049 0.959 0.818 0.538 0.290 0.500 2792.5 6.738 9 24.539 13.534 14.602 146.30 98.10 0.784 0.870 incorrect
T97_P15.M08 0.012 0.990 0.879 0.590 0.408 0.566 3198.2 22.286 20 24.690 6.930 7.670 55.16 98.70 0.589 0.616 incorrect
T97_P24.M10 0.000 1.000 0.606 0.256 0.167 0.600 1849.1 22.961 11 24.808 7.699 8.544 55.60 98.70 0.754 0.719 incorrect
T97_P47.M05 0.037 0.968 0.212 0.769 0.816 0.250 2423.2 5.229 33 24.938 15.615 16.518 161.66 98.20 0.639 0.428 incorrect
T97_P03.M01 0.049 0.946 0.818 0.564 0.229 0.353 2399.1 7.021 10 24.954 13.883 14.500 147.43 98.10 0.606 0.561 incorrect
T97_P27.M05 0.049 0.948 0.818 0.667 0.156 0.316 2582.1 11.456 18 24.968 12.052 13.068 124.97 98.20 0.561 0.434 incorrect
T97_P03.M05 0.049 0.918 0.364 0.615 0.478 0.077 1642.7 6.480 5 25.019 16.672 17.214 170.65 98.10 0.613 0.535 incorrect
T97_P19.M10 0.037 0.948 0.667 0.718 0.185 0.067 1905.0 3.480 16 25.109 14.608 15.457 162.90 98.10 0.601 0.459 incorrect
T97_P22.M10 0.061 0.933 0.636 0.487 0.276 0.441 2152.7 10.802 10 25.396 13.176 14.245 141.50 98.70 0.595 0.487 incorrect
T97_P47.M08 0.000 1.000 0.273 0.564 0.757 0.476 2344.2 21.879 17 25.472 8.464 10.034 84.73 98.20 0.633 0.435 incorrect
T97_P07.M07 0.061 0.937 0.727 0.641 0.226 0.194 2174.8 7.122 28 25.564 14.623 15.210 158.94 98.20 1.128 0.408 incorrect
T97_P27.M02 0.024 0.975 0.818 0.846 0.100 0.108 2351.4 5.747 11 25.637 15.168 16.184 170.65 98.20 0.642 0.495 incorrect
T97_P10.M08 0.024 0.964 0.333 0.436 0.522 0.227 1332.6 21.799 18 25.663 9.289 10.295 73.12 98.20 2.320 0.408 incorrect
T97_P03.M03 0.000 1.000 0.424 0.487 0.417 0.269 1542.6 19.337 5 25.677 11.208 11.980 109.66 98.10 0.608 0.551 incorrect
T97_P19.M08 0.061 0.924 0.667 0.538 0.120 0.382 2032.1 9.838 12 25.775 13.960 14.762 150.60 98.10 0.578 0.455 incorrect
T97_P38.M09 0.049 0.946 0.727 0.590 0.172 0.303 2044.9 10.336 37 25.885 14.500 15.330 147.65 98.70 0.569 0.422 incorrect
T97_P12.M03 0.012 0.989 0.909 0.795 0.348 0.262 2974.8 7.244 1 25.915 14.337 15.259 164.07 98.70 0.598 0.613 incorrect
T97_P13.M04 0.000 1.000 0.758 0.513 0.138 0.231 2077.0 23.342 13 25.922 7.553 8.319 57.61 98.70 0.715 0.664 incorrect
T97_P02.M06 0.049 0.925 0.636 0.641 0.125 0.107 1888.8 7.016 13 25.932 15.702 16.377 172.36 97.47 1.093 0.646 incorrect
T97_P16.M03 0.049 0.946 0.727 0.590 0.226 0.303 2096.2 10.623 16 26.021 14.525 15.377 148.93 98.70 0.593 0.495 incorrect
T97_P22.M02 0.012 0.987 0.788 0.821 0.133 0.111 2490.8 7.031 20 26.064 14.816 15.837 173.37 98.70 0.603 0.494 incorrect
T97_P38.M06 0.049 0.960 0.636 0.513 0.432 0.535 2804.3 11.653 48 26.069 13.413 14.593 150.44 98.70 0.569 0.422 incorrect
T97_P03.M07 0.012 0.978 0.394 0.641 0.409 0.107 1559.3 10.375 8 26.185 16.618 16.805 173.64 98.10 0.597 0.544 incorrect
T97_P16.M10 0.061 0.953 0.758 0.538 0.405 0.562 3063.4 11.940 17 26.197 13.429 14.613 151.40 98.70 0.634 0.499 incorrect
T97_P03.M06 0.012 0.981 0.394 0.590 0.458 0.148 1602.0 11.440 8 26.225 16.215 16.330 172.27 98.10 0.617 0.559 incorrect
T97_P22.M07 0.073 0.922 0.667 0.538 0.267 0.462 2301.7 19.114 13 26.359 10.701 11.272 98.03 98.70 0.596 0.483 incorrect
T97_P02.M08 0.049 0.920 0.515 0.410 0.227 0.333 1727.6 15.515 17 26.415 12.209 12.759 132.19 97.47 1.059 0.649 incorrect
T97_P19.M06 0.037 0.951 0.727 0.667 0.040 0.071 1961.9 8.499 17 26.444 15.248 16.030 174.51 98.10 0.564 0.447 incorrect
T97_P16.M01 0.024 0.978 0.879 0.333 0.256 0.698 2822.4 23.925 8 26.526 6.184 7.278 61.82 98.70 0.611 0.499 incorrect
T97_P47.M10 0.061 0.939 0.151 0.744 0.839 0.194 2074.1 11.407 25 26.792 15.390 17.152 170.59 98.20 0.639 0.425 incorrect
T97_P39.M03 0.073 0.937 0.818 0.410 0.400 0.590 2826.8 13.715 8 26.817 13.428 14.779 157.05 98.70 1.033 1.126 incorrect
T97_P35.M03 0.073 0.938 0.727 0.487 0.351 0.578 2880.7 18.224 5 26.823 11.570 12.446 113.16 98.70 0.589 0.609 incorrect
T97_P19.M09 0.037 0.940 0.667 0.538 0.120 0.276 1813.2 10.622 13 26.835 15.021 16.011 178.11 98.10 0.602 0.452 incorrect
T97_P05.M06 0.024 0.963 0.727 0.641 0.077 0.167 2081.1 10.503 5 26.878 14.625 15.298 163.73 98.70 0.474 0.405 incorrect
T97_P38.M02 0.024 0.979 0.848 0.359 0.282 0.682 2835.1 24.309 29 26.964 6.286 7.335 63.05 98.70 0.569 0.422 incorrect
T97_P07.M10 0.024 0.971 0.727 0.513 0.200 0.459 2087.4 12.395 16 26.983 14.807 15.481 171.56 98.20 1.069 0.408 incorrect
T97_P16.M08 0.049 0.950 0.697 0.615 0.179 0.368 2387.9 12.163 4 27.100 14.676 15.632 172.66 98.70 0.569 0.512 incorrect
T97_P15.M06 0.024 0.983 0.697 0.308 0.582 0.750 3184.9 21.819 19 27.134 10.617 13.000 134.13 98.70 0.594 0.618 incorrect
T97_P22.M03 0.073 0.926 0.788 0.590 0.133 0.343 2367.6 12.227 18 27.176 13.943 14.563 154.15 98.70 0.590 0.493 incorrect
T97_P22.M08 0.012 0.986 0.636 0.667 0.300 0.297 2296.9 14.356 14 27.291 13.913 14.473 138.29 98.70 0.590 0.495 incorrect
T97_P16.M09 0.073 0.941 0.758 0.462 0.375 0.550 2846.8 14.043 23 27.393 13.978 15.090 155.18 98.70 0.565 0.494 incorrect
T97_P22.M05 0.085 0.915 0.727 0.615 0.226 0.314 2294.6 12.685 12 27.437 14.806 15.944 164.24 98.70 0.594 0.498 incorrect
T97_P35.M08 0.000 1.000 0.727 0.410 0.294 0.619 2532.8 24.429 3 27.612 6.714 7.895 73.89 98.70 0.584 0.612 incorrect
T97_P34.M05 0.000 1.000 0.242 0.256 0.385 0.375 804.3 22.428 5 27.744 12.100 13.194 81.55 98.70 0.825 0.743 incorrect
T97_P21.M04 0.000 1.000 0.455 0.385 0.516 0.500 2070.0 24.328 2 27.804 9.571 10.978 74.40 98.70 2.583 0.478 incorrect
T97_P35.M07 0.024 0.956 0.121 0.538 0.790 0.250 1713.0 14.021 2 27.900 16.375 16.904 152.36 98.70 0.588 0.608 incorrect
T97_P08.M02 0.049 0.936 0.697 0.667 0.115 0.188 1962.8 12.529 5 28.013 15.322 16.159 171.54 98.70 0.811 1.311 incorrect
T97_P35.M01 0.061 0.928 0.758 0.410 0.167 0.619 2536.8 14.392 1 28.039 14.899 16.036 167.80 98.70 0.591 0.611 incorrect
T97_P12.M08 0.061 0.926 0.758 0.436 0.138 0.614 2499.9 14.415 3 28.051 14.887 16.023 167.79 98.70 0.584 0.610 incorrect
T97_P41.M08 0.049 0.961 0.848 0.538 0.349 0.488 2950.3 15.159 12 28.408 14.570 15.746 171.13 98.67 0.631 0.459 incorrect
T97_P12.M06 0.049 0.943 0.788 0.385 0.188 0.643 2473.6 14.929 3 28.451 15.031 16.185 177.20 98.70 0.597 0.610 incorrect
T97_P08.M10 0.000 1.000 0.546 0.333 0.250 0.536 1763.0 25.804 6 28.457 7.582 8.643 76.47 98.70 0.679 1.083 incorrect
T97_P10.M10 0.061 0.884 0.333 0.462 0.450 0.250 1389.7 21.081 9 28.587 11.671 12.425 105.33 98.20 2.320 0.408 incorrect
T97_P49.M06 0.049 0.959 0.818 0.385 0.270 0.643 3012.3 15.779 14 28.605 14.599 15.807 167.62 98.10 0.938 0.890 incorrect
T97_P07.M06 0.012 0.985 0.667 0.359 0.185 0.576 2013.3 18.836 30 29.252 13.932 14.875 139.79 98.20 1.088 0.408 incorrect
T97_P05.M03 0.000 1.000 0.636 0.359 0.323 0.622 2204.5 23.276 3 29.266 9.745 10.652 97.29 98.70 0.474 0.405 incorrect
T97_P08.M08 0.024 0.961 0.727 0.564 0.077 0.214 1916.3 15.582 5 29.351 15.525 16.294 168.01 98.70 0.634 1.294 incorrect
T97_P03.M04 0.000 1.000 0.636 0.308 0.160 0.600 1825.3 26.142 8 29.513 9.758 10.518 72.08 98.10 0.611 0.547 incorrect
T97_P08.M07 0.049 0.875 0.515 0.308 0.105 0.333 1113.5 20.696 4 29.554 12.381 12.723 139.91 98.70 0.665 1.107 incorrect
T97_P47.M02 0.061 0.949 0.182 0.513 0.833 0.444 2268.3 18.870 27 29.556 14.655 16.707 173.19 98.20 0.654 0.426 incorrect
T97_P38.M10 0.049 0.952 0.818 0.410 0.290 0.619 2939.7 17.856 39 29.639 14.660 15.630 166.83 98.70 0.569 0.422 incorrect
T97_P07.M01 0.000 1.000 0.697 0.308 0.148 0.613 2136.2 27.170 20 29.687 8.694 9.679 63.77 98.20 1.164 0.408 incorrect
T97_P02.M10 0.037 0.957 0.818 0.462 0.069 0.550 2463.9 17.313 16 29.700 14.992 15.956 178.96 97.47 1.149 0.541 incorrect
T97_P38.M07 0.061 0.937 0.788 0.513 0.257 0.375 2712.6 17.269 27 29.754 14.101 14.807 162.59 98.70 0.569 0.422 incorrect
T97_P27.M07 0.061 0.923 0.546 0.667 0.357 0.278 2085.0 21.374 8 30.057 12.178 13.141 115.87 98.20 0.524 0.447 incorrect
T97_P49.M02 0.061 0.952 0.818 0.359 0.290 0.714 3040.8 18.836 10 30.316 14.857 16.029 175.60 98.10 1.131 0.891 incorrect
T97_P39.M09 0.000 1.000 0.000 0.103 1.000 0.600 251.1 24.865 0 30.364 15.758 17.686 129.63 98.70 1.178 1.195 incorrect
T97_P08.M03 0.024 0.963 0.697 0.513 0.080 0.200 1740.3 17.888 8 30.461 14.817 15.436 158.01 98.70 0.812 1.374 incorrect
T97_P07.M08 0.000 1.000 0.546 0.231 0.280 0.679 1812.3 19.380 23 30.484 15.284 16.082 167.15 98.20 1.134 0.408 incorrect
T97_P05.M07 0.024 0.962 0.758 0.410 0.138 0.568 1969.8 20.958 4 30.504 14.063 15.014 143.82 98.70 0.759 0.405 incorrect
T97_P34.M06 0.000 1.000 0.091 0.026 0.786 0.857 427.5 22.739 0 30.735 15.381 17.715 178.24 98.70 0.825 0.743 incorrect
T97_P41.M01 0.037 0.974 0.848 0.359 0.282 0.750 3312.4 21.254 19 30.739 13.678 14.690 140.59 98.67 0.679 0.494 incorrect
T97_P37.M05 0.049 0.915 0.667 0.462 0.120 0.333 1909.3 21.908 65 31.073 11.602 12.716 106.56 98.70 4.544 0.411 incorrect
T97_P39.M02 0.000 1.000 0.212 0.410 0.860 0.714 3620.0 26.631 16 31.285 11.265 13.228 121.43 98.70 1.019 1.153 incorrect
T97_P20.M02 0.000 1.000 0.788 0.282 0.316 0.775 2663.7 28.403 5 31.300 7.681 9.210 71.33 98.70 0.554 0.667 incorrect
T97_P24.M02 0.085 0.877 0.788 0.513 0.000 0.412 2054.0 19.696 9 31.325 14.207 14.833 163.56 98.70 0.808 0.671 incorrect
T97_P35.M06 0.012 0.982 0.636 0.308 0.300 0.657 1951.0 25.110 4 31.360 10.988 11.856 106.77 98.70 0.599 0.608 incorrect
T97_P41.M06 0.024 0.978 0.697 0.410 0.281 0.636 2629.7 23.089 8 31.485 13.714 14.039 148.97 98.67 0.655 0.481 incorrect
T97_P08.M05 0.000 1.000 0.212 0.128 0.125 0.615 537.9 28.233 2 31.569 8.910 9.598 75.39 98.70 0.653 1.133 incorrect
T97_P16.M02 0.073 0.941 0.727 0.718 0.429 0.349 2953.6 21.880 19 31.741 13.869 15.043 140.54 98.70 0.543 0.488 incorrect
T97_P20.M07 0.012 0.986 0.758 0.641 0.324 0.375 2573.2 21.254 7 31.746 14.006 14.946 162.01 98.70 0.554 0.448 incorrect
T97_P22.M09 0.049 0.949 0.697 0.590 0.343 0.258 2310.7 21.188 13 31.835 14.192 15.087 156.32 98.70 0.598 0.493 incorrect
T97_P10.M02 0.000 1.000 0.546 0.410 0.514 0.568 2620.6 24.333 44 31.944 12.394 12.887 131.90 98.20 2.575 0.408 incorrect
T97_P10.M04 0.000 1.000 0.242 0.308 0.733 0.657 2237.0 24.018 15 32.140 14.386 15.593 153.96 98.20 2.519 0.408 incorrect
T97_P49.M07 0.037 0.967 0.758 0.692 0.359 0.290 2684.2 22.275 12 32.149 13.949 14.911 146.38 98.10 0.841 0.847 incorrect
T97_P38.M03 0.073 0.940 0.727 0.692 0.467 0.372 2759.6 22.590 41 32.233 13.960 15.096 139.92 98.70 0.569 0.422 incorrect
T97_P41.M10 0.000 1.000 0.879 0.282 0.216 0.725 2760.0 30.000 8 32.310 7.955 9.190 66.54 98.67 0.673 0.494 incorrect
T97_P13.M05 0.073 0.914 0.758 0.436 0.107 0.514 2270.8 21.366 13 32.324 14.302 14.934 169.15 98.70 0.726 0.717 incorrect
T97_P24.M01 0.073 0.914 0.758 0.436 0.107 0.514 2270.8 21.366 13 32.324 14.302 14.934 169.15 98.70 0.726 0.717 incorrect
T97_P21.M03 0.000 1.000 0.576 0.282 0.296 0.593 1548.6 25.929 14 32.345 11.640 12.684 111.86 98.70 2.434 0.468 incorrect
T97_P07.M05 0.000 1.000 0.546 0.179 0.280 0.774 2012.1 22.910 24 32.400 14.157 14.944 162.19 98.20 1.142 0.408 incorrect
T97_P15.M10 0.000 1.000 0.424 0.256 0.714 0.667 2910.7 28.190 11 32.484 10.907 13.326 124.11 98.70 0.635 0.809 incorrect
T97_P39.M05 0.000 1.000 0.667 0.359 0.371 0.682 2590.6 29.069 10 32.499 8.072 9.479 78.57 98.70 1.056 1.149 incorrect
T97_P49.M04 0.024 0.971 0.758 0.205 0.138 0.778 2283.6 24.962 4 32.636 13.394 13.651 139.90 98.10 0.770 0.873 incorrect
T97_P41.M03 0.000 1.000 0.939 0.282 0.225 0.771 3002.1 27.404 8 32.725 10.938 11.582 105.70 98.67 0.705 0.497 incorrect
T97_P41.M07 0.037 0.972 0.909 0.410 0.211 0.619 3043.0 23.549 15 32.797 15.278 16.273 163.41 98.67 0.658 0.481 incorrect
T97_P08.M04 0.049 0.809 0.364 0.282 0.000 0.214 859.8 27.973 1 32.856 10.901 11.386 87.48 98.70 0.654 1.103 incorrect
T97_P22.M06 0.049 0.944 0.697 0.436 0.148 0.553 2185.5 23.321 19 32.865 15.095 15.689 158.17 98.70 0.578 0.487 incorrect
T97_P27.M03 0.012 0.986 0.758 0.205 0.194 0.795 2233.9 30.562 8 33.145 8.723 9.803 77.63 98.20 0.542 0.482 incorrect
T97_P16.M05 0.061 0.950 0.818 0.410 0.325 0.628 3063.0 23.623 16 33.174 15.061 15.861 162.64 98.70 0.605 0.525 incorrect
T97_P13.M01 0.037 0.954 0.727 0.462 0.143 0.500 2270.3 22.742 10 33.396 15.299 15.875 163.46 98.70 1.277 0.730 incorrect
T97_P23.M06 0.000 1.000 0.606 0.231 0.259 0.700 1386.1 27.656 2 33.403 12.904 13.770 111.77 98.70 0.553 0.597 incorrect
T97_P13.M02 0.061 0.919 0.758 0.410 0.138 0.500 2142.3 22.998 13 33.569 15.451 16.040 166.67 98.70 0.873 0.683 incorrect
T97_P22.M01 0.000 1.000 0.848 0.282 0.125 0.738 2475.9 30.984 18 33.647 8.425 9.437 71.20 98.70 0.614 0.492 incorrect
T97_P07.M04 0.012 0.984 0.636 0.128 0.160 0.821 1948.6 30.532 30 33.668 12.148 12.831 75.63 98.20 1.069 0.408 incorrect
T97_P23.M07 0.012 0.960 0.333 0.231 0.312 0.654 1119.9 24.551 6 33.841 15.663 16.723 170.28 98.70 0.553 0.597 incorrect
T97_P07.M09 0.012 0.985 0.667 0.128 0.214 0.839 2117.3 24.374 20 33.957 15.142 16.343 173.88 98.20 1.023 0.408 incorrect
T97_P41.M02 0.000 1.000 0.939 0.308 0.326 0.774 3469.7 25.455 20 34.014 13.210 14.471 140.70 98.67 0.723 0.562 incorrect
T97_P05.M02 0.000 1.000 0.697 0.231 0.080 0.710 1837.5 31.384 3 34.055 8.144 9.500 83.09 98.70 0.474 0.405 incorrect
T97_P37.M09 0.000 1.000 0.455 0.231 0.250 0.550 1587.7 33.592 65 34.096 13.621 14.441 22.71 98.70 4.544 0.411 incorrect
T97_P40.M10 0.000 1.000 0.394 0.026 0.235 0.954 1374.2 28.371 5 34.301 13.764 14.928 143.67 98.70 0.825 0.737 incorrect
T97_P41.M05 0.000 1.000 0.818 0.385 0.270 0.615 2534.3 29.716 10 34.846 10.652 11.968 100.91 98.67 0.643 0.507 incorrect
T97_P34.M08 0.000 1.000 0.182 0.026 0.143 0.857 288.3 29.608 0 34.850 11.791 13.276 98.72 98.70 0.825 0.743 incorrect
T97_P27.M04 0.000 1.000 0.727 0.103 0.111 0.867 1703.9 26.020 6 34.927 14.734 15.970 169.13 98.20 0.521 0.435 incorrect
T97_P20.M04 0.037 0.956 0.788 0.359 0.212 0.588 2283.7 26.219 6 34.942 14.542 15.138 179.63 98.70 0.554 0.686 incorrect
T97_P34.M03 0.000 1.000 0.333 0.077 0.577 0.870 1554.7 29.090 17 34.948 15.768 16.917 110.57 98.70 0.825 0.743 incorrect
T97_P20.M01 0.000 1.000 0.788 0.282 0.278 0.703 2518.8 31.689 5 35.012 8.234 9.774 83.61 98.70 0.554 0.438 incorrect
T97_P05.M09 0.000 1.000 0.697 0.282 0.115 0.656 1858.4 30.897 5 35.112 11.040 11.752 99.93 98.70 0.741 0.405 incorrect
T97_P12.M07 0.024 0.967 0.788 0.513 0.161 0.333 2135.7 26.624 5 35.115 13.613 14.124 150.18 98.70 0.594 0.601 incorrect
T97_P02.M09 0.024 0.972 0.727 0.256 0.077 0.722 2098.0 28.356 12 35.156 14.076 14.193 139.77 97.47 1.131 0.591 incorrect
T97_P27.M09 0.000 1.000 0.697 0.154 0.000 0.778 1798.3 30.512 8 35.388 13.306 14.325 111.01 98.20 0.532 0.430 incorrect
T97_P40.M02 0.012 0.982 0.697 0.179 0.179 0.788 1978.7 32.802 13 35.897 12.268 13.183 82.29 98.70 0.627 0.712 incorrect
T97_P39.M07 0.012 0.923 0.182 0.205 0.684 0.529 777.5 28.052 2 36.203 16.139 17.380 146.55 98.70 1.193 1.200 incorrect
T97_P46.M01 0.012 0.923 0.182 0.205 0.684 0.529 777.5 28.052 2 36.203 16.139 17.380 146.55 98.70 1.193 1.200 incorrect
T97_P08.M09 0.012 0.952 0.394 0.205 0.133 0.500 940.3 27.375 2 36.273 14.469 15.251 170.42 98.70 0.700 1.151 incorrect
T97_P34.M04 0.000 1.000 0.091 0.103 0.833 0.750 895.9 32.262 16 36.327 12.419 14.669 134.77 98.70 0.825 0.743 incorrect
T97_P02.M05 0.037 0.933 0.515 0.385 0.150 0.348 1685.9 28.539 13 36.527 14.196 15.240 141.09 97.47 0.884 0.655 incorrect
T97_P15.M05 0.024 0.969 0.818 0.205 0.342 0.714 2929.2 31.188 9 36.759 12.537 13.866 118.63 98.70 0.638 0.713 incorrect
T97_P21.M01 0.024 0.944 0.333 0.205 0.542 0.556 1490.9 28.243 2 37.141 16.059 17.696 172.01 98.70 2.410 0.436 incorrect
T97_P34.M01 0.000 1.000 0.000 0.026 1.000 0.833 480.1 32.796 3 37.275 15.181 17.858 171.76 98.70 0.825 0.743 incorrect
T97_P05.M01 0.000 1.000 0.636 0.231 0.222 0.735 1974.5 32.897 3 37.388 11.329 11.977 109.30 98.70 0.725 0.405 incorrect
T97_P34.M02 0.000 1.000 0.394 0.179 0.594 0.788 1927.4 33.001 41 37.428 15.503 16.627 96.49 98.70 0.825 0.743 incorrect
T97_P12.M02 0.000 1.000 0.758 0.179 0.219 0.811 2249.8 34.069 3 37.433 9.480 10.686 86.61 98.70 0.592 0.611 incorrect
T97_P23.M05 0.012 0.970 0.606 0.179 0.130 0.696 1303.6 30.249 2 38.083 14.343 14.824 141.12 98.70 0.553 0.597 incorrect
T97_P24.M06 0.000 1.000 0.818 0.154 0.000 0.812 2075.5 34.216 10 38.114 13.222 13.430 113.01 98.70 0.701 0.674 incorrect
T97_P21.M08 0.037 0.969 0.485 0.282 0.568 0.744 2768.6 31.260 13 38.552 14.275 15.836 148.02 98.70 2.341 0.737 incorrect
T97_P35.M09 0.000 1.000 0.758 0.077 0.265 0.919 2443.3 30.999 2 38.669 15.150 16.425 170.08 98.70 0.583 0.614 incorrect
T97_P12.M09 0.000 1.000 0.818 0.179 0.270 0.841 2713.5 35.677 6 38.831 9.604 10.907 90.05 98.70 0.594 0.603 incorrect
T97_P35.M04 0.000 1.000 0.818 0.179 0.270 0.833 2664.1 35.684 7 38.839 9.610 10.955 90.09 98.70 0.597 0.599 incorrect
T97_P35.M10 0.000 1.000 0.818 0.179 0.270 0.833 2664.1 35.684 7 38.839 9.610 10.955 90.09 98.70 0.597 0.599 incorrect
T97_P13.M07 0.000 1.000 0.788 0.128 0.103 0.815 1687.3 35.768 11 39.157 13.256 13.497 106.39 98.70 1.078 0.635 incorrect
T97_P08.M01 0.037 0.952 0.758 0.205 0.107 0.765 2160.3 32.490 8 39.652 14.863 15.266 166.16 98.70 0.701 1.058 incorrect
T97_P41.M04 0.000 1.000 0.788 0.154 0.278 0.857 2854.3 35.841 15 40.031 9.598 10.893 101.57 98.67 0.718 0.507 incorrect
T97_P38.M04 0.073 0.944 0.818 0.308 0.342 0.745 2917.4 33.309 39 40.084 14.363 14.970 179.00 98.70 0.569 0.422 incorrect
T97_P21.M07 0.000 1.000 0.455 0.103 0.318 0.852 1648.5 36.803 5 40.339 10.841 12.165 96.66 98.70 2.410 0.436 incorrect
T97_P40.M09 0.000 1.000 0.697 0.103 0.207 0.875 1864.9 36.775 11 40.493 9.054 10.789 100.26 98.70 0.808 1.186 incorrect
T97_P02.M01 0.037 0.935 0.636 0.205 0.160 0.714 1852.2 36.479 13 40.689 12.417 13.258 115.40 97.47 0.946 0.626 incorrect
T97_P49.M05 0.000 1.000 0.758 0.154 0.194 0.800 2452.9 34.175 4 41.081 14.263 15.671 145.60 98.10 0.801 0.797 incorrect
T97_P02.M02 0.049 0.930 0.758 0.231 0.074 0.735 2098.5 34.375 8 41.138 14.491 15.113 176.24 97.47 0.825 0.471 incorrect
T97_P23.M10 0.000 1.000 0.030 0.077 0.960 0.833 1326.1 36.148 14 41.224 17.354 19.586 128.07 98.70 0.553 0.597 incorrect
T97_P47.M01 0.000 1.000 0.394 0.231 0.658 0.727 2077.3 35.976 16 41.353 15.302 17.172 174.65 98.20 0.649 0.429 incorrect
T97_P08.M06 0.000 1.000 0.424 0.000 0.177 1.000 864.5 38.564 4 41.655 11.477 12.498 91.67 98.70 0.778 1.156 incorrect
T97_P02.M04 0.037 0.921 0.636 0.282 0.087 0.607 1615.2 35.570 14 42.152 14.821 15.505 173.58 97.47 1.129 0.587 incorrect
T97_P21.M02 0.000 1.000 0.273 0.128 0.308 0.667 834.6 38.833 3 42.295 15.127 16.324 94.24 98.70 2.410 0.429 incorrect
T97_P13.M09 0.000 1.000 0.727 0.077 0.111 0.880 1820.2 39.655 9 42.459 14.538 15.330 104.30 98.70 1.040 0.681 incorrect
T97_P41.M09 0.012 0.988 0.606 0.103 0.355 0.892 2357.6 38.232 8 42.460 17.241 18.001 125.41 98.67 0.708 0.509 incorrect
T97_P02.M03 0.024 0.957 0.727 0.231 0.077 0.710 1903.9 35.865 15 42.563 14.805 15.344 177.81 97.47 1.050 0.636 incorrect
T97_P35.M02 0.000 1.000 0.727 0.051 0.294 0.941 2521.4 38.880 7 42.761 14.485 15.639 126.75 98.70 0.589 0.616 incorrect
T97_P24.M03 0.000 1.000 0.818 0.077 0.100 0.900 2130.9 39.877 11 42.854 14.640 15.344 110.11 98.70 0.631 0.679 incorrect
T97_P23.M08 0.000 1.000 0.455 0.051 0.211 0.882 985.0 40.867 5 43.020 13.606 14.691 95.25 98.70 0.553 0.597 incorrect
T97_P40.M05 0.000 1.000 0.818 0.051 0.100 0.941 2270.9 39.874 12 43.372 10.191 12.087 114.52 98.70 0.818 1.007 incorrect
T97_P24.M04 0.000 1.000 0.818 0.077 0.036 0.889 1867.8 40.413 9 43.413 14.887 15.621 110.23 98.70 0.720 0.719 incorrect
T97_P10.M06 0.000 1.000 0.394 0.179 0.567 0.781 2203.5 40.717 30 43.901 14.671 14.737 124.73 98.20 2.551 0.408 incorrect
T97_P20.M08 0.000 1.000 0.758 0.128 0.219 0.848 2034.2 40.068 13 43.908 10.483 12.159 109.07 98.70 0.554 0.674 incorrect
T97_P13.M03 0.000 1.000 0.848 0.128 0.243 0.833 2221.0 40.743 13 44.408 15.675 16.389 119.69 98.70 1.227 0.673 incorrect
T97_P34.M09 0.000 1.000 0.242 0.000 0.529 1.000 883.6 39.510 13 44.465 13.451 15.559 124.94 98.70 0.825 0.743 incorrect
T97_P49.M09 0.000 1.000 0.818 0.103 0.308 0.909 2904.3 41.055 7 45.521 10.917 12.068 118.74 98.10 0.826 1.033 incorrect
T97_P20.M09 0.012 0.985 0.848 0.128 0.222 0.848 2406.5 40.901 8 45.541 14.460 15.330 172.10 98.70 0.554 0.436 incorrect
T97_P46.M08 0.000 1.000 0.000 0.026 1.000 0.933 596.4 43.639 2 45.813 20.759 21.199 89.28 98.70 1.199 1.198 incorrect
T97_P46.M10 0.000 1.000 0.000 0.000 1.000 1.000 246.8 39.580 1 46.070 18.209 19.076 164.48 98.70 1.185 1.195 incorrect
T97_P13.M06 0.000 1.000 0.697 0.026 0.042 0.964 1971.9 43.786 15 46.079 14.590 15.085 116.67 98.70 1.252 0.683 incorrect
T97_P21.M10 0.000 1.000 0.424 0.051 0.462 0.929 2042.1 43.751 11 46.158 15.526 16.873 100.73 98.70 2.526 0.725 incorrect
T97_P24.M09 0.012 0.981 0.697 0.103 0.000 0.846 1755.4 41.607 13 46.486 14.850 14.913 154.97 98.70 0.701 0.751 incorrect
T97_P38.M01 0.012 0.989 0.939 0.077 0.225 0.919 2763.1 41.466 32 46.602 14.663 15.344 167.63 98.70 0.569 0.422 incorrect
T97_P23.M03 0.000 1.000 0.091 0.051 0.400 0.667 169.0 41.237 6 46.620 15.517 16.498 176.94 98.70 0.553 0.597 incorrect
T97_P20.M06 0.000 1.000 0.879 0.051 0.256 0.954 2549.5 42.557 3 46.997 11.065 12.534 125.30 98.70 0.554 0.670 incorrect
T97_P34.M07 0.000 1.000 0.273 0.000 0.609 1.000 1070.1 43.561 16 47.006 17.000 19.367 179.24 98.70 0.825 0.743 incorrect
T97_P02.M07 0.000 1.000 0.576 0.103 0.296 0.871 1880.8 41.636 16 47.224 14.636 14.857 126.43 97.47 1.185 0.582 incorrect
T97_P15.M03 0.000 1.000 0.515 0.000 0.469 1.000 1761.8 41.844 14 47.260 16.164 17.009 146.74 98.70 0.579 0.617 incorrect
T97_P47.M06 0.000 1.000 0.364 0.103 0.714 0.867 2228.6 41.864 22 47.313 15.814 18.428 175.34 98.20 0.660 0.443 incorrect
T97_P46.M05 0.000 1.000 0.000 0.026 1.000 0.833 479.5 43.848 2 47.339 20.741 21.207 118.68 98.70 1.200 1.197 incorrect
T97_P24.M05 0.000 1.000 0.697 0.026 0.000 0.962 1801.0 45.158 5 47.400 15.101 15.680 115.83 98.70 0.619 0.683 incorrect
T97_P21.M06 0.000 1.000 0.121 0.128 0.733 0.643 995.5 43.986 1 47.491 20.818 22.349 133.82 98.70 2.418 0.452 incorrect
T97_P39.M08 0.000 1.000 0.000 0.000 1.000 1.000 795.0 46.841 4 47.700 20.870 23.044 51.03 98.70 1.182 1.206 incorrect
T97_P46.M02 0.000 1.000 0.000 0.000 1.000 1.000 795.0 46.841 4 47.700 20.870 23.044 51.03 98.70 1.182 1.206 incorrect
T97_P05.M08 0.000 1.000 0.788 0.000 0.235 1.000 2418.2 43.412 6 47.728 14.822 15.457 179.89 98.70 0.474 0.405 incorrect
T97_P21.M09 0.000 1.000 0.455 0.051 0.595 0.944 2718.6 41.357 11 47.873 15.203 17.525 149.84 98.70 2.687 0.646 incorrect
T97_P37.M06 0.000 1.000 0.242 0.128 0.652 0.762 1612.0 45.395 54 48.064 14.127 16.128 76.27 98.70 4.544 0.411 incorrect
T97_P13.M10 0.000 1.000 0.606 0.000 0.091 1.000 1862.3 45.532 5 48.077 14.712 14.905 121.70 98.70 0.662 0.699 incorrect
T97_P24.M07 0.000 1.000 0.606 0.000 0.091 1.000 1862.3 45.532 5 48.077 14.712 14.905 121.70 98.70 0.662 0.699 incorrect
T97_P46.M03 0.000 1.000 0.121 0.077 0.765 0.812 596.9 44.797 2 48.343 18.878 20.255 115.12 98.70 1.186 1.197 incorrect
T97_P20.M03 0.000 1.000 0.758 0.000 0.306 1.000 2795.8 46.621 6 49.743 15.098 16.087 168.31 98.70 0.554 0.674 incorrect
T97_P39.M10 0.000 1.000 0.000 0.000 1.000 1.000 846.4 49.226 1 49.750 21.202 23.059 36.49 98.70 1.199 1.209 incorrect
T97_P05.M05 0.000 1.000 0.758 0.077 0.242 0.893 1970.5 44.666 4 49.947 14.274 14.885 140.09 98.70 0.474 0.405 incorrect
T97_P39.M04 0.000 1.000 0.606 0.000 0.333 1.000 2440.9 45.500 7 50.319 13.730 14.869 141.06 98.70 1.070 1.157 incorrect
T97_P47.M07 0.000 1.000 0.364 0.026 0.739 0.978 2925.8 45.426 31 50.512 16.158 18.354 132.85 98.20 0.686 0.428 incorrect
T97_P39.M06 0.000 1.000 0.000 0.128 1.000 0.375 429.2 47.264 1 50.520 19.148 19.771 135.11 98.70 1.195 1.194 incorrect
T97_P12.M05 0.000 1.000 0.758 0.077 0.219 0.921 2549.4 45.339 5 50.590 14.376 14.767 136.78 98.70 0.600 0.611 incorrect
T97_P20.M05 0.000 1.000 0.788 0.000 0.235 1.000 2364.9 46.711 7 51.236 12.203 13.828 147.07 98.70 0.554 0.667 incorrect
T97_P46.M09 0.000 1.000 0.000 0.154 1.000 0.455 527.1 48.473 0 51.813 20.463 21.552 127.74 98.70 1.172 1.193 incorrect
T97_P20.M10 0.000 1.000 0.848 0.000 0.263 1.000 2564.5 47.127 7 52.000 12.189 14.207 157.23 98.70 0.554 0.438 incorrect
T97_P10.M09 0.000 1.000 0.242 0.000 0.750 1.000 1927.4 47.273 69 52.006 16.311 17.280 171.18 98.20 2.320 0.408 incorrect
T97_P47.M03 0.012 0.984 0.424 0.077 0.462 0.900 1881.1 49.756 12 52.386 15.290 17.074 142.48 98.20 0.629 0.429 incorrect
T97_P46.M06 0.000 1.000 0.061 0.026 0.714 0.909 337.1 48.166 3 52.639 20.384 21.668 147.87 98.70 1.182 1.199 incorrect
T97_P46.M04 0.000 1.000 0.000 0.103 1.000 0.500 298.6 49.215 2 52.937 19.841 20.489 140.07 98.70 1.181 1.192 incorrect
T97_P47.M09 0.000 1.000 0.364 0.000 0.684 1.000 2235.9 50.869 15 53.009 17.319 19.499 134.24 98.20 0.630 0.428 incorrect
T97_P34.M10 0.000 1.000 0.182 0.000 0.760 1.000 914.4 48.736 12 53.547 16.575 19.335 166.93 98.70 0.825 0.743 incorrect
T97_P47.M04 0.000 1.000 0.788 0.000 0.297 1.000 2845.0 50.303 18 53.804 13.746 15.916 179.27 98.20 0.641 0.429 incorrect
T97_P46.M07 0.000 1.000 0.030 0.026 0.750 0.800 203.0 50.050 0 54.669 21.029 21.745 170.06 98.70 1.181 1.196 incorrect
T97_P10.M07 0.000 1.000 0.151 0.026 0.853 0.974 2362.8 52.548 41 54.900 16.247 18.159 95.60 98.20 2.576 0.408 incorrect
T97_P12.M04 0.000 1.000 0.697 0.000 0.207 1.000 1962.4 51.463 4 55.327 14.245 15.643 162.01 98.70 0.594 0.606 incorrect
T97_P10.M01 0.000 1.000 0.303 0.000 0.688 1.000 2494.1 52.336 38 56.245 13.962 15.498 151.95 98.20 2.662 0.408 incorrect
T97_P03.M09 0.000 1.000 0.424 0.000 0.364 1.000 1555.0 54.266 6 56.559 17.153 17.983 154.68 98.10 0.616 0.569 incorrect
T97_P10.M03 0.000 1.000 0.303 0.000 0.667 1.000 2209.0 54.707 23 57.805 15.338 17.115 149.53 98.20 2.552 0.408 incorrect

Acceptable predictions 14, remaining 3 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)
T97_P35.M05 0.232 0.765 0.758 0.769 0.219 0.167 2608.9 4.573 3 4.996 2.480 3.627 12.50 98.70 0.580 0.617 acceptable
T97_P16.M06 0.512 0.447 0.909 0.692 0.167 0.270 2644.8 2.839 15 5.143 2.094 2.924 20.50 98.70 0.627 0.477 acceptable
T97_P40.M03 0.281 0.258 0.636 0.462 0.000 0.100 1269.1 4.457 6 5.189 2.304 2.825 15.27 98.70 0.761 0.901 acceptable
T97_P19.M03 0.439 0.390 0.758 0.641 0.107 0.107 1873.0 3.435 13 6.086 2.372 3.076 23.40 98.10 0.566 0.451 acceptable
T97_P05.M10 0.256 0.500 0.758 0.667 0.038 0.071 1678.7 5.504 8 6.364 2.251 3.051 15.29 98.70 0.720 0.405 acceptable
T97_P19.M02 0.342 0.600 0.788 0.718 0.133 0.151 2183.9 5.285 19 7.274 2.960 3.613 23.23 98.10 0.568 0.444 acceptable
T97_P12.M01 0.268 0.681 0.727 0.641 0.351 0.219 2377.9 4.032 2 7.802 3.400 4.059 33.19 98.70 0.587 0.606 acceptable
T97_P05.M04 0.488 0.322 0.879 0.667 0.121 0.235 2273.1 7.014 8 8.587 2.214 3.053 26.58 98.70 0.474 0.405 acceptable
T97_P40.M04 0.390 0.475 0.758 0.692 0.167 0.156 2276.5 5.657 8 8.650 3.755 4.068 33.46 98.70 0.913 0.861 acceptable
T97_P19.M04 0.171 0.763 0.818 0.538 0.036 0.276 2090.6 8.644 16 9.156 3.558 4.275 15.31 98.10 0.564 0.448 acceptable
T97_P21.M05 0.171 0.808 0.546 0.641 0.419 0.306 2185.8 7.690 13 9.714 3.471 4.502 28.41 98.70 2.436 0.431 acceptable
T97_P15.M04 0.146 0.889 0.909 0.718 0.348 0.429 3211.7 7.796 23 9.716 4.720 5.361 26.47 98.70 0.688 0.634 acceptable
T97_P40.M06 0.232 0.642 0.697 0.590 0.115 0.207 2023.8 6.488 5 9.986 4.384 4.759 36.31 98.70 0.715 0.901 acceptable
T97_P03.M10 0.122 0.833 0.909 0.513 0.143 0.444 2192.8 12.863 7 14.553 3.971 4.433 34.60 98.10 0.608 0.563 acceptable

Medium predictions 5, remaining -2 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)
T97_P19.M01 0.451 0.260 0.848 0.769 0.034 0.062 1892.0 2.429 11 2.867 1.332 2.183 7.31 98.10 0.552 0.449 medium
T97_P19.M05 0.402 0.326 0.788 0.667 0.071 0.071 1869.8 2.642 10 2.872 1.401 2.584 5.24 98.10 0.594 0.453 medium
T97_P15.M01 0.451 0.593 0.788 0.744 0.257 0.256 2612.4 3.902 16 4.185 1.628 3.115 7.01 98.70 0.580 0.657 medium
T97_P27.M01 0.573 0.397 0.848 0.821 0.200 0.111 2593.1 4.635 21 4.896 1.887 2.960 6.82 98.20 0.606 0.469 medium
T97_P27.M10 0.427 0.527 0.758 0.821 0.107 0.135 2340.8 2.450 10 4.928 2.584 3.155 20.95 98.20 0.532 0.439 medium

High quality predictions 1, 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_97_xray 1.000 0.000 1.000 1.000 0.000 0.000 2570.3 0.000 11 0.000 0.000 0.000 0.00 100.00 0.000 0.000 high