Results for CAPRI round 27 target T57

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: 256

Clashes threshold filtering: 64.12
Average: 17.20
StdDev: 23.46
Sequence Identity threshold filtering: 70.0

Eliminated 8, remaining 248 predictions

Removed predictions:

(nclash > 64.12)
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)
T57_P23.M01 0.824 0.600 1.000 0.947 0.000 0.438 1523.6 7.583 141 9.000 3.682 4.527 125.76 100.00 3.680 0.330 clashes,acceptable
T57_P23.M04 0.294 0.848 1.000 0.368 0.000 0.788 1410.2 16.288 161 20.225 7.895 8.275 145.62 100.00 3.680 0.330 clashes,incorrect
T57_P23.M07 0.059 0.960 1.000 0.158 0.000 0.864 1321.9 25.789 166 29.529 11.584 11.838 156.30 100.00 3.680 0.330 clashes,incorrect
T57_P23.M03 0.000 1.000 1.000 0.000 0.000 1.000 1403.5 33.177 97 33.429 12.797 12.315 44.11 100.00 3.680 0.330 clashes,incorrect
T57_P23.M06 0.000 1.000 1.000 0.000 0.000 1.000 1350.8 30.882 142 34.077 13.884 13.828 136.37 100.00 3.680 0.330 clashes,incorrect
T57_P23.M09 0.000 1.000 1.000 0.000 0.000 1.000 1388.9 32.833 101 35.602 14.582 14.168 174.73 100.00 3.680 0.330 clashes,incorrect
T57_P23.M02 0.000 1.000 1.000 0.000 0.000 1.000 1212.2 36.426 89 37.774 14.879 14.496 110.39 100.00 3.680 0.330 clashes,incorrect
T57_P23.M08 0.000 1.000 1.000 0.000 0.000 1.000 1223.4 39.042 111 41.274 16.260 15.736 120.50 100.00 3.680 0.330 clashes,incorrect

Eliminated 0, remaining 248 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 217, remaining 31 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)
T57_P12.M08 0.529 0.625 1.000 0.526 0.000 0.615 1393.1 6.536 22 10.444 4.440 5.141 104.57 100.00 1.796 0.330 incorrect
T57_P44.M04 0.529 0.591 1.000 0.526 0.000 0.583 1177.1 9.032 7 10.652 4.212 4.965 65.48 100.00 4.112 0.330 incorrect
T57_P25.M10 0.471 0.758 1.000 0.526 0.000 0.714 1668.9 6.810 5 11.162 4.763 5.148 107.71 100.00 3.733 0.359 incorrect
T57_P34.M06 0.588 0.583 1.000 0.684 0.000 0.500 1341.5 8.627 13 11.209 4.519 5.062 174.91 100.00 3.922 0.330 incorrect
T57_P25.M04 0.647 0.353 1.000 0.632 0.000 0.333 1057.7 10.390 14 11.240 4.297 5.209 161.15 100.00 3.770 0.350 incorrect
T57_P18.M03 0.529 0.609 1.000 0.579 0.000 0.542 1189.1 9.614 22 11.720 4.635 5.095 122.41 100.00 3.680 0.330 incorrect
T57_P32.M01 0.529 0.357 1.000 0.526 0.000 0.500 966.3 5.123 8 11.753 5.161 5.128 113.65 100.00 9.682 0.352 incorrect
T57_P17.M02 0.588 0.615 1.000 0.737 0.000 0.533 1256.7 4.214 5 11.986 5.293 5.737 138.97 100.00 6.147 0.330 incorrect
T57_P20.M09 0.471 0.529 1.000 0.368 0.000 0.562 1115.2 11.073 21 12.029 4.532 5.196 57.77 100.00 3.584 0.704 incorrect
T57_P17.M04 0.647 0.522 1.000 0.632 0.000 0.520 1293.0 4.068 8 12.044 5.329 5.700 136.85 100.00 6.095 0.330 incorrect
T57_P46.M03 0.412 0.611 1.000 0.526 0.000 0.565 1054.1 10.141 4 12.580 4.960 5.398 117.82 100.00 3.680 0.715 incorrect
T57_P11.M03 0.647 0.312 1.000 0.632 0.000 0.250 926.7 10.894 12 12.661 4.859 5.457 156.07 100.00 3.680 0.330 incorrect
T57_P34.M09 0.471 0.467 1.000 0.474 0.000 0.438 856.9 4.798 9 12.686 5.501 5.851 111.89 100.00 3.908 0.330 incorrect
T57_P34.M07 0.471 0.529 1.000 0.579 0.000 0.450 998.2 3.024 5 12.773 5.624 5.997 130.84 100.00 3.836 0.330 incorrect
T57_P32.M03 0.235 0.600 1.000 0.579 0.000 0.421 782.2 7.926 4 13.321 5.616 5.774 175.57 100.00 9.570 0.344 incorrect
T57_P12.M06 0.529 0.591 1.000 0.526 0.000 0.565 1247.2 12.174 30 13.387 5.147 5.840 169.24 100.00 2.516 0.330 incorrect
T57_P24.M07 0.529 0.400 1.000 0.474 0.000 0.400 932.7 12.272 33 13.388 4.975 5.508 32.08 100.00 4.614 0.580 incorrect
T57_P33.M10 0.647 0.421 1.000 0.632 0.000 0.429 1281.9 3.242 30 13.922 6.198 6.775 167.14 100.00 3.598 0.330 incorrect
T57_P16.M03 0.471 0.619 1.000 0.526 0.000 0.583 1097.3 12.830 12 13.944 5.449 5.797 68.12 100.00 4.921 0.330 incorrect
T57_P17.M07 0.529 0.591 1.000 0.579 0.000 0.577 1143.4 8.431 4 13.987 5.836 6.068 109.78 100.00 4.817 0.330 incorrect
T57_P42.M10 0.353 0.667 1.000 0.316 0.000 0.647 949.2 12.508 10 13.994 5.307 5.690 89.56 100.00 4.685 0.330 incorrect
T57_P01.M09 0.412 0.300 1.000 0.474 0.000 0.357 700.9 8.979 14 14.184 5.907 6.485 174.39 100.00 4.621 0.346 incorrect
T57_P12.M09 0.588 0.615 1.000 0.579 0.000 0.577 1457.1 7.629 20 14.309 5.995 6.602 159.07 100.00 2.033 0.330 incorrect
T57_P34.M05 0.471 0.500 1.000 0.474 0.000 0.471 905.1 3.306 10 14.369 6.371 6.527 147.25 100.00 3.925 0.330 incorrect
T57_P20.M01 0.588 0.333 1.000 0.526 0.000 0.375 1073.9 9.444 29 14.544 6.137 6.832 118.09 100.00 5.126 0.595 incorrect
T57_P32.M02 0.412 0.417 1.000 0.421 0.000 0.500 677.6 9.269 5 14.570 6.095 6.281 134.19 100.00 9.758 0.342 incorrect
T57_P32.M04 0.412 0.417 1.000 0.421 0.000 0.500 677.6 9.269 5 14.570 6.095 6.281 134.19 100.00 9.758 0.342 incorrect
T57_P12.M02 0.647 0.500 1.000 0.632 0.000 0.520 1472.7 4.318 26 14.577 6.502 7.032 146.92 100.00 2.150 0.330 incorrect
T57_P46.M01 0.529 0.571 1.000 0.526 0.000 0.524 1119.7 12.313 6 14.593 5.671 5.978 131.77 100.00 3.680 0.715 incorrect
T57_P12.M03 0.824 0.300 1.000 0.790 0.000 0.348 1242.9 2.210 35 14.640 6.622 7.030 177.41 100.00 1.893 0.330 incorrect
T57_P34.M01 0.118 0.875 1.000 0.105 0.000 0.875 933.3 13.457 7 14.804 5.584 5.852 82.40 100.00 3.805 0.330 incorrect
T57_P33.M06 0.882 0.483 1.000 0.842 0.000 0.448 1586.4 3.305 20 14.875 6.702 7.244 163.42 100.00 3.541 0.330 incorrect
T57_P11.M09 0.529 0.182 1.000 0.632 0.000 0.200 716.5 3.087 12 14.898 6.686 6.977 161.27 100.00 2.964 0.331 incorrect
T57_P33.M03 0.529 0.743 1.000 0.526 0.000 0.697 1624.1 7.885 24 14.918 6.419 7.008 134.15 100.00 3.343 0.330 incorrect
T57_P44.M09 0.353 0.667 1.000 0.316 0.000 0.684 962.1 11.950 6 15.024 5.878 6.804 143.37 100.00 4.736 0.330 incorrect
T57_P41.M08 0.765 0.316 1.000 0.790 0.000 0.375 1129.4 3.356 9 15.034 6.766 7.262 178.38 100.00 4.052 0.330 incorrect
T57_P24.M01 0.706 0.250 1.000 0.842 0.000 0.111 945.9 4.844 31 15.084 6.731 7.333 170.54 100.00 3.226 0.576 incorrect
T57_P01.M08 0.235 0.692 1.000 0.211 0.000 0.692 697.0 13.678 11 15.137 5.780 6.206 140.10 100.00 3.828 0.368 incorrect
T57_P24.M03 0.882 0.211 1.000 0.842 0.000 0.200 1060.4 4.052 30 15.170 6.833 7.518 179.07 100.00 3.382 0.599 incorrect
T57_P25.M01 0.471 0.784 1.000 0.474 0.000 0.743 1613.9 12.315 8 15.191 6.134 6.499 94.88 100.00 3.770 0.374 incorrect
T57_P24.M02 0.706 0.400 1.000 0.684 0.000 0.278 1043.0 4.380 30 15.215 6.811 7.355 172.63 100.00 3.215 0.653 incorrect
T57_P11.M07 0.588 0.286 1.000 0.579 0.000 0.214 706.2 4.799 10 15.225 6.774 7.063 173.95 100.00 1.765 0.330 incorrect
T57_P24.M06 0.588 0.286 1.000 0.632 0.000 0.294 849.0 4.876 23 15.381 6.888 7.074 168.75 100.00 2.818 0.551 incorrect
T57_P24.M04 0.824 0.067 1.000 0.842 0.000 0.111 950.6 4.766 33 15.413 6.888 7.514 166.73 100.00 3.084 0.562 incorrect
T57_P11.M08 0.706 0.143 1.000 0.737 0.000 0.125 891.5 4.329 14 15.509 6.938 7.472 171.79 100.00 2.444 0.331 incorrect
T57_P34.M10 0.588 0.474 1.000 0.579 0.000 0.421 923.3 4.691 5 15.778 7.046 7.144 150.82 100.00 3.619 0.330 incorrect
T57_P48.M09 0.294 0.722 1.000 0.316 0.000 0.667 1043.9 13.601 17 15.826 6.115 6.709 143.46 100.00 3.350 0.637 incorrect
T57_P25.M06 0.529 0.690 1.000 0.579 0.000 0.621 1498.6 6.648 11 15.931 6.973 7.188 150.58 100.00 3.963 0.355 incorrect
T57_P34.M02 0.588 0.412 1.000 0.579 0.000 0.389 925.5 4.599 7 16.034 7.170 7.313 148.68 100.00 3.882 0.330 incorrect
T57_P12.M10 0.765 0.500 1.000 0.790 0.000 0.464 1589.1 5.739 22 16.210 7.171 7.555 175.82 100.00 1.987 0.330 incorrect
T57_P33.M04 0.941 0.385 1.000 0.895 0.000 0.393 1518.0 5.915 25 16.300 7.207 7.612 179.28 100.00 3.605 0.330 incorrect
T57_P48.M03 0.706 0.368 1.000 0.684 0.000 0.316 1178.1 4.934 27 16.378 7.363 8.220 170.49 100.00 3.952 0.964 incorrect
T57_P17.M06 0.412 0.750 1.000 0.474 0.000 0.710 1405.5 13.128 10 16.383 6.568 6.800 113.81 100.00 4.083 0.330 incorrect
T57_P46.M04 0.706 0.400 1.000 0.790 0.000 0.375 1003.1 5.925 5 16.635 7.378 7.754 168.55 100.00 3.680 0.715 incorrect
T57_P41.M05 0.706 0.368 1.000 0.737 0.000 0.417 1236.2 3.295 13 16.666 7.515 7.892 173.13 100.00 4.241 0.330 incorrect
T57_P16.M09 0.471 0.636 1.000 0.526 0.000 0.600 1144.3 9.233 8 16.876 7.331 7.580 156.42 100.00 4.378 0.330 incorrect
T57_P41.M02 0.824 0.222 1.000 0.790 0.000 0.318 1227.6 4.147 11 16.906 7.597 8.157 176.42 100.00 3.604 0.330 incorrect
T57_P16.M02 0.471 0.692 1.000 0.474 0.000 0.654 1362.2 14.467 9 16.909 6.619 6.584 65.59 100.00 3.488 0.330 incorrect
T57_P24.M10 0.588 0.375 1.000 0.632 0.000 0.294 912.0 9.059 30 17.075 7.415 7.740 161.61 100.00 3.250 0.577 incorrect
T57_P18.M04 0.353 0.778 1.000 0.368 0.000 0.731 1418.7 13.875 56 17.197 6.659 7.140 156.95 100.00 3.680 0.330 incorrect
T57_P44.M02 0.471 0.579 1.000 0.474 0.000 0.526 1140.8 15.241 10 17.250 6.567 7.538 117.63 100.00 3.651 0.330 incorrect
T57_P33.M09 0.294 0.773 1.000 0.263 0.000 0.773 1219.9 15.801 22 17.429 6.708 6.917 97.90 100.00 3.295 0.330 incorrect
T57_P16.M04 0.471 0.579 1.000 0.474 0.000 0.550 1018.1 11.643 10 17.576 7.341 7.479 151.90 100.00 4.391 0.330 incorrect
T57_P20.M08 0.647 0.214 1.000 0.632 0.000 0.200 983.0 10.916 31 17.612 7.486 7.991 170.07 100.00 4.096 0.557 incorrect
T57_P15.M02 0.118 0.800 1.000 0.105 0.000 0.833 603.5 15.834 6 17.670 6.693 7.025 165.71 100.00 3.002 0.387 incorrect
T57_P15.M04 0.059 0.800 1.000 0.105 0.000 0.667 401.2 16.197 4 17.739 6.841 6.805 77.84 100.00 4.075 0.387 incorrect
T57_P11.M02 0.647 0.353 1.000 0.684 0.000 0.316 884.3 10.302 13 17.786 7.596 7.935 175.86 100.00 1.674 0.393 incorrect
T57_P42.M01 0.118 0.857 1.000 0.105 0.000 0.867 920.8 16.033 9 17.847 6.753 7.057 61.30 100.00 3.706 0.330 incorrect
T57_P12.M07 0.529 0.667 1.000 0.526 0.000 0.583 1275.5 11.451 22 18.050 7.701 7.992 154.78 100.00 1.686 0.330 incorrect
T57_P41.M04 0.588 0.583 1.000 0.579 0.000 0.560 1197.4 8.339 9 18.226 8.043 8.215 179.55 100.00 4.286 0.330 incorrect
T57_P15.M08 0.118 0.750 1.000 0.105 0.000 0.846 703.9 16.971 7 18.281 6.944 6.921 76.14 100.00 2.075 0.387 incorrect
T57_P16.M05 0.412 0.562 1.000 0.474 0.000 0.526 991.0 17.385 13 18.302 6.930 6.929 60.27 100.00 4.217 0.330 incorrect
T57_P41.M09 0.588 0.565 1.000 0.526 0.000 0.565 1070.5 9.614 15 18.313 7.996 8.263 167.53 100.00 3.966 0.330 incorrect
T57_P11.M04 0.588 0.333 1.000 0.632 0.000 0.200 766.2 11.438 12 18.407 7.749 8.072 166.60 100.00 1.742 0.330 incorrect
T57_P41.M06 0.588 0.583 1.000 0.526 0.000 0.630 1411.7 9.675 11 18.452 8.082 8.281 158.61 100.00 3.839 0.330 incorrect
T57_P16.M08 0.412 0.611 1.000 0.421 0.000 0.579 969.8 17.557 8 18.453 6.966 7.046 113.97 100.00 3.763 0.330 incorrect
T57_P44.M03 0.471 0.600 1.000 0.474 0.000 0.550 1104.3 16.937 8 18.458 6.922 7.680 158.12 100.00 4.282 0.330 incorrect
T57_P15.M10 0.118 0.818 1.000 0.105 0.000 0.857 781.6 17.256 8 18.605 7.069 7.047 76.06 100.00 2.062 0.387 incorrect
T57_P15.M05 0.059 0.833 1.000 0.105 0.000 0.800 435.4 17.315 5 18.828 7.192 6.999 54.65 100.00 3.823 0.387 incorrect
T57_P11.M06 0.647 0.154 1.000 0.737 0.000 0.125 761.8 11.852 12 18.838 7.908 8.132 165.60 100.00 1.946 0.330 incorrect
T57_P46.M08 0.177 0.812 1.000 0.211 0.000 0.778 872.5 11.830 2 18.845 8.070 8.166 141.72 100.00 3.680 0.715 incorrect
T57_P33.M07 0.529 0.719 1.000 0.526 0.000 0.630 1535.9 13.774 25 18.919 7.794 8.272 177.69 100.00 3.577 0.330 incorrect
T57_P25.M03 0.471 0.784 1.000 0.526 0.000 0.714 1565.8 13.526 12 18.927 7.649 7.823 110.98 100.00 3.807 0.376 incorrect
T57_P20.M03 0.529 0.500 1.000 0.579 0.000 0.389 978.1 12.332 25 19.036 8.000 8.378 161.20 100.00 3.258 0.641 incorrect
T57_P11.M01 0.529 0.400 1.000 0.579 0.000 0.421 971.7 12.743 18 19.072 7.973 8.211 170.81 100.00 1.648 0.332 incorrect
T57_P16.M10 0.118 0.875 1.000 0.105 0.000 0.900 900.1 17.237 4 19.113 7.364 7.544 77.46 100.00 3.710 0.330 incorrect
T57_P16.M01 0.529 0.640 1.000 0.526 0.000 0.630 1373.4 13.727 16 19.332 8.066 8.241 175.83 100.00 5.055 0.330 incorrect
T57_P20.M05 0.412 0.364 1.000 0.474 0.000 0.357 957.4 14.190 25 19.546 8.035 8.660 156.42 100.00 3.523 0.585 incorrect
T57_P44.M10 0.412 0.650 1.000 0.368 0.000 0.632 1114.3 18.385 7 19.547 7.225 7.819 66.57 100.00 4.611 0.330 incorrect
T57_P25.M07 0.647 0.450 1.000 0.474 0.000 0.500 1031.4 11.930 13 19.692 8.268 8.462 146.25 100.00 4.002 0.354 incorrect
T57_P24.M09 0.412 0.562 1.000 0.526 0.000 0.474 1129.9 17.587 31 20.492 8.021 8.530 128.68 100.00 3.479 0.558 incorrect
T57_P01.M04 0.118 0.882 1.000 0.105 0.000 0.889 956.4 18.865 15 20.664 7.893 7.964 81.38 100.00 4.498 0.353 incorrect
T57_P32.M06 0.118 0.778 1.000 0.158 0.000 0.800 610.7 17.892 3 20.864 8.264 7.725 140.25 100.00 9.721 0.339 incorrect
T57_P33.M05 0.471 0.619 1.000 0.421 0.000 0.579 1155.8 15.060 25 20.911 8.762 9.153 162.89 100.00 3.653 0.330 incorrect
T57_P01.M01 0.118 0.857 1.000 0.105 0.000 0.875 839.0 19.731 17 20.991 7.904 8.194 86.50 100.00 5.383 0.352 incorrect
T57_P28.M06 0.412 0.650 1.000 0.526 0.000 0.546 1179.4 19.147 37 21.924 8.341 8.674 178.89 100.00 3.680 0.330 incorrect
T57_P28.M07 0.412 0.650 1.000 0.526 0.000 0.546 1179.4 19.147 37 21.924 8.341 8.674 178.89 100.00 3.680 0.330 incorrect
T57_P05.M05 0.118 0.913 1.000 0.105 0.000 0.913 1359.0 20.672 18 22.019 8.115 8.087 146.62 100.00 4.765 0.330 incorrect
T57_P05.M02 0.118 0.900 1.000 0.105 0.000 0.905 1238.8 20.838 12 22.026 8.139 8.157 98.24 100.00 4.473 0.330 incorrect
T57_P05.M06 0.118 0.905 1.000 0.105 0.000 0.909 1195.5 20.765 21 22.050 8.137 8.160 136.88 100.00 4.541 0.330 incorrect
T57_P05.M03 0.118 0.913 1.000 0.105 0.000 0.913 1359.9 20.720 16 22.066 8.145 8.140 110.17 100.00 4.459 0.330 incorrect
T57_P05.M01 0.118 0.905 1.000 0.105 0.000 0.909 1217.4 20.864 16 22.156 8.188 8.227 116.01 100.00 4.236 0.330 incorrect
T57_P01.M02 0.118 0.882 1.000 0.105 0.000 0.875 836.3 21.004 14 22.278 8.509 8.530 73.26 100.00 6.023 0.347 incorrect
T57_P42.M04 0.118 0.867 1.000 0.105 0.000 0.875 829.9 21.279 23 22.449 8.265 8.475 172.61 100.00 3.207 0.330 incorrect
T57_P34.M03 0.235 0.778 1.000 0.211 0.000 0.826 1191.1 20.636 9 22.532 8.490 8.284 104.35 100.00 4.098 0.330 incorrect
T57_P34.M08 0.177 0.850 1.000 0.158 0.000 0.870 1133.3 20.847 10 22.839 8.612 8.530 177.43 100.00 3.863 0.330 incorrect
T57_P05.M10 0.118 0.895 1.000 0.105 0.000 0.900 1087.9 21.380 14 23.105 8.568 8.629 159.84 100.00 4.315 0.330 incorrect
T57_P05.M04 0.118 0.909 1.000 0.105 0.000 0.905 1224.4 21.483 17 23.277 8.622 8.642 175.51 100.00 4.388 0.330 incorrect
T57_P15.M03 0.118 0.778 1.000 0.105 0.000 0.800 574.0 22.429 6 23.482 8.723 8.599 97.74 100.00 2.841 0.387 incorrect
T57_P15.M09 0.118 0.778 1.000 0.105 0.000 0.818 566.2 22.423 6 23.513 8.745 8.555 101.25 100.00 2.745 0.387 incorrect
T57_P15.M01 0.118 0.833 1.000 0.105 0.000 0.846 636.4 21.217 6 23.533 9.075 9.121 86.15 100.00 4.364 0.387 incorrect
T57_P43.M04 0.000 1.000 1.000 0.053 0.000 0.889 286.1 20.983 0 23.710 8.824 8.985 96.93 100.00 3.986 0.330 incorrect
T57_P10.M09 0.412 0.667 1.000 0.421 0.000 0.600 1198.5 19.679 11 23.720 9.525 9.921 158.21 100.00 8.849 0.939 incorrect
T57_P15.M06 0.118 0.857 1.000 0.105 0.000 0.875 703.6 19.876 6 23.990 9.601 9.790 158.25 100.00 3.297 0.387 incorrect
T57_P48.M01 0.412 0.588 1.000 0.421 0.000 0.600 958.5 18.705 14 24.088 9.895 10.084 165.93 100.00 3.046 0.632 incorrect
T57_P48.M06 0.412 0.588 1.000 0.421 0.000 0.600 958.5 18.705 14 24.088 9.895 10.084 165.93 100.00 3.046 0.632 incorrect
T57_P46.M02 0.059 0.929 1.000 0.105 0.000 0.867 808.0 22.326 3 24.794 9.033 9.056 88.27 100.00 3.680 0.715 incorrect
T57_P05.M08 0.118 0.889 1.000 0.105 0.000 0.895 1116.7 21.681 13 24.841 9.706 9.637 101.71 100.00 3.713 0.330 incorrect
T57_P46.M09 0.000 1.000 1.000 0.053 0.000 0.952 963.6 22.827 2 25.038 9.555 9.245 113.49 100.00 3.680 0.715 incorrect
T57_P05.M07 0.118 0.900 1.000 0.105 0.000 0.900 1121.8 22.340 13 25.567 10.040 10.101 103.49 100.00 4.140 0.330 incorrect
T57_P48.M04 0.059 0.944 1.000 0.053 0.000 0.944 983.2 22.721 10 25.986 10.254 10.192 168.14 100.00 4.065 0.623 incorrect
T57_P43.M07 0.000 1.000 1.000 0.000 0.000 1.000 225.9 21.875 0 26.041 10.136 9.790 154.93 100.00 4.550 0.330 incorrect
T57_P05.M09 0.118 0.875 1.000 0.105 0.000 0.889 1007.1 23.515 12 26.053 10.133 10.221 123.31 100.00 4.898 0.330 incorrect
T57_P33.M08 0.118 0.895 1.000 0.105 0.000 0.900 1189.6 24.940 20 26.401 9.775 9.582 146.73 100.00 3.790 0.330 incorrect
T57_P42.M07 0.118 0.875 1.000 0.105 0.000 0.882 1030.5 22.917 17 26.631 10.640 10.648 169.23 100.00 3.957 0.330 incorrect
T57_P42.M08 0.118 0.867 1.000 0.105 0.000 0.875 930.3 23.136 15 26.647 10.626 10.505 144.24 100.00 4.514 0.330 incorrect
T57_P42.M02 0.177 0.864 1.000 0.105 0.000 0.889 1112.0 25.373 44 26.781 9.880 9.706 106.66 100.00 3.453 0.330 incorrect
T57_P42.M09 0.118 0.895 1.000 0.105 0.000 0.895 979.1 25.124 13 26.833 9.938 9.976 148.51 100.00 3.363 0.330 incorrect
T57_P01.M05 0.118 0.875 1.000 0.105 0.000 0.875 902.2 24.319 11 26.879 10.556 10.459 174.03 100.00 3.953 0.365 incorrect
T57_P01.M06 0.118 0.875 1.000 0.105 0.000 0.882 835.8 25.440 13 26.903 10.082 10.017 162.03 100.00 4.093 0.352 incorrect
T57_P01.M03 0.118 0.889 1.000 0.105 0.000 0.882 987.0 25.780 16 27.135 10.038 9.734 106.58 100.00 4.791 0.362 incorrect
T57_P15.M07 0.118 0.778 1.000 0.105 0.000 0.800 421.6 23.593 4 27.315 11.003 11.176 151.28 100.00 3.596 0.387 incorrect
T57_P48.M07 0.118 0.882 1.000 0.105 0.000 0.882 1061.5 24.189 20 27.498 10.941 10.896 155.52 100.00 4.192 0.589 incorrect
T57_P42.M03 0.118 0.833 1.000 0.105 0.000 0.867 743.9 23.940 8 27.726 11.108 11.050 151.41 100.00 4.036 0.330 incorrect
T57_P42.M06 0.118 0.833 1.000 0.105 0.000 0.867 903.8 24.402 12 27.982 11.154 11.101 139.54 100.00 3.762 0.330 incorrect
T57_P42.M05 0.118 0.889 1.000 0.105 0.000 0.889 1089.3 25.780 27 28.561 11.243 11.089 124.22 100.00 4.104 0.330 incorrect
T57_P48.M05 0.118 0.857 1.000 0.105 0.000 0.867 794.7 24.746 15 28.714 11.300 11.485 157.10 100.00 4.534 0.590 incorrect
T57_P48.M08 0.118 0.882 1.000 0.105 0.000 0.895 962.1 27.548 15 28.803 10.760 10.734 74.99 100.00 3.957 0.638 incorrect
T57_P18.M02 0.000 1.000 1.000 0.000 0.000 1.000 1243.9 28.009 28 29.928 11.451 11.081 113.20 100.00 3.681 0.330 incorrect
T57_P10.M04 0.000 1.000 1.000 0.000 0.000 1.000 1365.6 29.373 15 30.852 11.867 11.949 96.45 100.00 8.210 0.743 incorrect
T57_P10.M01 0.059 0.971 1.000 0.105 0.000 0.939 1638.5 28.847 25 31.185 11.783 11.847 121.47 100.00 8.620 0.657 incorrect
T57_P10.M06 0.059 0.957 1.000 0.053 0.000 0.954 1169.3 29.542 17 31.837 12.235 11.960 93.49 100.00 9.039 0.877 incorrect
T57_P16.M07 0.000 1.000 1.000 0.000 0.000 1.000 1028.2 30.109 7 31.912 12.587 12.431 98.65 100.00 4.435 0.330 incorrect
T57_P23.M10 0.000 1.000 1.000 0.000 0.000 1.000 956.9 31.165 53 32.078 12.188 12.248 135.72 100.00 3.680 0.330 incorrect
T57_P28.M10 0.000 1.000 1.000 0.000 0.000 1.000 1175.3 31.770 27 32.528 12.503 12.237 87.80 100.00 3.680 0.330 incorrect
T57_P32.M05 0.000 1.000 1.000 0.000 0.000 1.000 549.2 31.525 2 33.089 12.522 12.133 143.10 100.00 9.664 0.335 incorrect
T57_P28.M03 0.000 1.000 1.000 0.000 0.000 1.000 1447.1 30.635 64 33.219 12.928 12.362 108.81 100.00 3.680 0.330 incorrect
T57_P28.M04 0.000 1.000 1.000 0.000 0.000 1.000 1435.6 30.823 61 33.345 12.959 12.386 107.29 100.00 3.680 0.330 incorrect
T57_P28.M01 0.000 1.000 1.000 0.000 0.000 1.000 1372.9 31.414 54 33.657 13.037 12.442 100.06 100.00 3.680 0.330 incorrect
T57_P28.M02 0.000 1.000 1.000 0.000 0.000 1.000 1424.3 31.386 56 33.717 13.092 12.502 102.23 100.00 3.680 0.330 incorrect
T57_P18.M07 0.000 1.000 1.000 0.000 0.000 1.000 1613.1 32.210 0 33.729 12.676 12.387 74.83 100.00 6.378 0.330 incorrect
T57_P17.M08 0.000 1.000 1.000 0.000 0.000 1.000 1604.8 32.597 9 33.997 12.766 12.382 84.64 100.00 4.102 0.330 incorrect
T57_P49.M05 0.000 1.000 1.000 0.000 0.000 1.000 812.5 33.319 3 34.005 13.205 13.374 108.00 100.00 3.680 0.989 incorrect
T57_P49.M09 0.000 1.000 1.000 0.000 0.000 1.000 935.2 31.374 3 34.290 13.356 13.078 145.66 100.00 3.680 0.780 incorrect
T57_P46.M10 0.000 1.000 1.000 0.000 0.000 1.000 888.7 32.981 3 34.374 12.470 12.343 149.50 100.00 3.680 0.715 incorrect
T57_P25.M02 0.000 1.000 1.000 0.000 0.000 1.000 1743.7 32.533 15 34.501 13.155 12.643 122.58 100.00 4.095 0.363 incorrect
T57_P17.M09 0.000 1.000 1.000 0.000 0.000 1.000 1350.0 33.017 7 34.539 12.899 12.764 173.50 100.00 3.899 0.330 incorrect
T57_P25.M08 0.000 1.000 1.000 0.000 0.000 1.000 1318.9 31.584 7 34.627 13.562 13.354 124.56 100.00 3.998 0.354 incorrect
T57_P18.M06 0.000 1.000 1.000 0.000 0.000 1.000 1453.8 33.026 2 34.826 13.411 12.948 103.82 100.00 7.287 0.330 incorrect
T57_P10.M05 0.000 1.000 1.000 0.000 0.000 1.000 1457.6 33.561 15 34.838 13.316 12.658 70.05 100.00 8.280 0.757 incorrect
T57_P26.M02 0.000 1.000 1.000 0.000 0.000 1.000 1473.4 34.540 7 34.847 14.002 13.728 48.66 100.00 2.854 0.330 incorrect
T57_P30.M05 0.000 1.000 1.000 0.000 0.000 1.000 1392.9 34.503 1 34.861 13.270 12.923 160.03 100.00 3.676 0.330 incorrect
T57_P10.M07 0.000 1.000 1.000 0.000 0.000 1.000 1168.2 33.635 16 34.872 14.138 13.856 56.40 100.00 8.912 0.779 incorrect
T57_P30.M09 0.000 1.000 1.000 0.000 0.000 1.000 1355.1 34.554 0 34.896 13.288 12.878 87.31 100.00 4.305 0.330 incorrect
T57_P10.M08 0.000 1.000 1.000 0.000 0.000 1.000 1550.4 33.552 18 35.029 14.286 13.581 98.37 100.00 8.656 0.775 incorrect
T57_P18.M05 0.000 1.000 1.000 0.000 0.000 1.000 1408.1 33.408 1 35.435 13.704 13.188 103.63 100.00 7.453 0.330 incorrect
T57_P25.M09 0.000 1.000 1.000 0.000 0.000 1.000 1245.7 31.818 10 35.471 13.784 13.502 162.64 100.00 3.664 0.361 incorrect
T57_P49.M10 0.000 1.000 1.000 0.000 0.000 1.000 810.9 33.478 0 35.504 12.994 12.846 164.83 100.00 3.680 1.056 incorrect
T57_P18.M10 0.000 1.000 1.000 0.000 0.000 1.000 1554.5 33.552 5 35.585 13.808 13.249 105.74 100.00 7.417 0.330 incorrect
T57_P28.M09 0.000 1.000 1.000 0.000 0.000 1.000 1094.5 33.224 20 35.625 14.149 13.913 112.96 100.00 3.680 0.330 incorrect
T57_P10.M10 0.000 1.000 1.000 0.000 0.000 1.000 1655.1 33.850 19 35.648 13.659 13.192 99.05 100.00 8.678 0.690 incorrect
T57_P30.M04 0.000 1.000 1.000 0.000 0.000 1.000 1556.2 34.626 2 35.752 14.208 13.622 102.77 100.00 4.112 0.330 incorrect
T57_P25.M05 0.000 1.000 1.000 0.000 0.000 1.000 1349.9 33.941 3 35.829 13.988 13.801 143.69 100.00 3.767 0.362 incorrect
T57_P30.M03 0.000 1.000 1.000 0.000 0.000 1.000 1486.0 34.946 1 35.840 14.277 13.791 130.08 100.00 4.013 0.330 incorrect
T57_P18.M09 0.000 1.000 1.000 0.000 0.000 1.000 1456.1 33.850 3 35.942 13.992 13.554 103.65 100.00 7.465 0.330 incorrect
T57_P18.M08 0.000 1.000 1.000 0.000 0.000 1.000 1438.9 34.304 5 36.058 13.991 13.617 112.05 100.00 7.410 0.330 incorrect
T57_P32.M09 0.000 1.000 1.000 0.000 0.000 1.000 689.8 34.571 5 36.286 13.478 12.580 155.82 100.00 9.753 0.338 incorrect
T57_P30.M01 0.000 1.000 1.000 0.000 0.000 1.000 1592.8 34.365 0 36.352 14.584 14.022 124.95 100.00 4.524 0.330 incorrect
T57_P23.M05 0.000 1.000 1.000 0.000 0.000 1.000 1352.4 34.643 59 36.399 14.199 13.704 135.36 100.00 3.680 0.330 incorrect
T57_P30.M10 0.000 1.000 1.000 0.000 0.000 1.000 1511.2 34.530 0 36.475 14.668 14.300 128.49 100.00 4.383 0.330 incorrect
T57_P26.M03 0.000 1.000 1.000 0.000 0.000 1.000 1385.2 34.814 3 36.486 13.946 13.554 172.97 100.00 3.014 0.330 incorrect
T57_P28.M08 0.000 1.000 1.000 0.000 0.000 1.000 1220.3 35.053 42 36.514 14.709 14.273 96.51 100.00 3.680 0.330 incorrect
T57_P49.M07 0.000 1.000 1.000 0.000 0.000 1.000 1019.8 35.021 3 36.550 13.595 13.311 151.79 100.00 3.681 0.857 incorrect
T57_P30.M02 0.000 1.000 1.000 0.000 0.000 1.000 1552.6 34.525 0 36.694 14.219 13.566 162.83 100.00 4.346 0.330 incorrect
T57_P49.M04 0.000 1.000 1.000 0.000 0.000 1.000 1037.1 34.063 3 36.695 14.084 13.765 132.75 100.00 3.680 0.788 incorrect
T57_P26.M05 0.000 1.000 1.000 0.000 0.000 1.000 1365.2 34.932 6 36.869 14.640 14.267 127.67 87.80 4.098 0.330 incorrect
T57_P26.M04 0.000 1.000 1.000 0.000 0.000 1.000 1417.2 35.073 5 36.963 14.929 14.499 174.59 98.60 3.317 0.330 incorrect
T57_P49.M06 0.000 1.000 1.000 0.000 0.000 1.000 1092.4 36.748 2 37.109 13.805 13.411 175.36 100.00 3.680 0.843 incorrect
T57_P26.M01 0.000 1.000 1.000 0.000 0.000 1.000 1401.6 35.212 6 37.118 14.733 14.359 123.67 100.00 4.184 0.330 incorrect
T57_P49.M03 0.000 1.000 1.000 0.000 0.000 1.000 1041.0 35.758 2 37.179 13.836 13.574 145.75 100.00 3.680 0.835 incorrect
T57_P30.M06 0.000 1.000 1.000 0.000 0.000 1.000 1361.2 35.576 1 37.225 14.216 13.746 143.43 100.00 4.948 0.330 incorrect
T57_P26.M07 0.000 1.000 1.000 0.000 0.000 1.000 1302.4 35.381 6 37.834 14.715 14.281 150.35 87.80 3.502 0.330 incorrect
T57_P30.M07 0.000 1.000 1.000 0.000 0.000 1.000 1310.1 36.388 1 37.941 14.614 14.205 137.29 100.00 5.346 0.330 incorrect
T57_P46.M06 0.000 1.000 1.000 0.000 0.000 1.000 916.7 34.925 4 37.959 15.286 15.160 152.23 100.00 3.680 0.715 incorrect
T57_P49.M02 0.000 1.000 1.000 0.000 0.000 1.000 1163.7 36.531 1 38.322 14.495 14.255 140.71 100.00 3.680 0.873 incorrect
T57_P49.M01 0.000 1.000 1.000 0.000 0.000 1.000 1230.8 36.454 2 38.365 14.776 14.500 142.16 100.00 3.680 0.889 incorrect
T57_P10.M03 0.000 1.000 1.000 0.000 0.000 1.000 1248.7 37.197 18 38.550 15.112 14.733 94.68 100.00 9.053 0.728 incorrect
T57_P28.M05 0.000 1.000 1.000 0.000 0.000 1.000 1152.5 37.256 19 38.602 14.612 14.025 131.69 100.00 3.680 0.330 incorrect
T57_P26.M06 0.000 1.000 1.000 0.000 0.000 1.000 1261.8 37.568 6 39.017 15.152 14.559 119.98 87.80 4.321 0.330 incorrect
T57_P30.M08 0.000 1.000 1.000 0.000 0.000 1.000 1329.1 38.269 0 39.374 14.901 14.226 107.94 100.00 5.275 0.330 incorrect
T57_P32.M10 0.000 1.000 1.000 0.000 0.000 1.000 693.6 38.708 0 39.858 15.056 14.996 47.43 100.00 9.701 0.335 incorrect
T57_P46.M07 0.000 1.000 1.000 0.000 0.000 1.000 922.3 38.240 1 39.882 15.009 14.692 151.47 100.00 3.680 0.715 incorrect
T57_P32.M08 0.000 1.000 1.000 0.000 0.000 1.000 773.2 38.824 3 40.263 16.398 15.397 117.76 100.00 9.749 0.335 incorrect
T57_P43.M01 0.000 1.000 1.000 0.000 0.000 1.000 267.1 40.392 0 40.611 15.113 14.575 83.56 100.00 3.870 0.330 incorrect
T57_P32.M07 0.000 1.000 1.000 0.000 0.000 1.000 1158.1 40.507 2 41.733 16.200 15.890 163.43 100.00 9.794 0.348 incorrect
T57_P18.M01 0.000 1.000 1.000 0.000 0.000 1.000 1334.6 39.979 22 41.836 15.623 15.157 149.91 100.00 3.680 0.330 incorrect
T57_P43.M05 0.000 1.000 1.000 0.000 0.000 1.000 435.9 41.416 1 42.041 16.109 15.618 69.87 100.00 4.550 0.330 incorrect
T57_P01.M10 0.000 1.000 1.000 0.000 0.000 1.000 453.8 41.613 4 42.470 16.367 15.933 91.20 100.00 4.536 0.343 incorrect
T57_P43.M09 0.000 1.000 1.000 0.000 0.000 1.000 119.7 42.247 0 44.160 16.673 16.222 130.90 100.00 4.550 0.330 incorrect
T57_P43.M06 0.000 1.000 1.000 0.000 0.000 1.000 278.5 43.619 0 44.365 16.721 16.258 159.46 100.00 4.550 0.330 incorrect
T57_P43.M10 0.000 1.000 1.000 0.000 0.000 1.000 323.4 42.905 0 44.680 16.768 16.410 137.43 100.00 3.986 0.330 incorrect
T57_P43.M08 0.000 1.000 1.000 0.000 0.000 1.000 240.0 43.496 0 45.512 17.154 16.565 132.03 100.00 4.550 0.330 incorrect
T57_P43.M02 0.000 1.000 1.000 0.000 0.000 1.000 271.7 44.545 0 45.847 17.138 16.782 136.56 100.00 3.986 0.330 incorrect
T57_P17.M10 0.000 1.000 1.000 0.000 0.000 1.000 865.5 48.552 5 48.908 18.232 17.604 67.00 100.00 5.206 0.330 incorrect
T57_P43.M03 0.000 1.000 1.000 0.000 0.000 1.000 178.5 48.140 0 49.530 19.267 18.616 140.06 100.00 4.550 0.330 incorrect
T57_P20.M06 0.000 1.000 1.000 0.000 0.000 1.000 755.7 51.059 20 51.694 18.925 18.255 57.63 100.00 3.288 0.578 incorrect
T57_P01.M07 0.000 1.000 1.000 0.000 0.000 1.000 873.4 51.642 15 52.537 19.117 18.490 93.82 100.00 4.751 0.346 incorrect

Acceptable predictions 26, remaining 5 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)
T57_P41.M07 0.706 0.478 1.000 0.737 0.000 0.417 1189.6 1.884 13 5.120 2.209 3.436 34.06 100.00 3.925 0.330 acceptable
T57_P41.M03 0.706 0.500 1.000 0.790 0.000 0.464 1324.3 2.975 12 5.617 2.393 3.509 47.64 100.00 3.902 0.330 acceptable
T57_P20.M02 0.706 0.333 1.000 0.790 0.000 0.250 1030.7 2.264 25 5.709 2.534 3.595 95.99 100.00 3.568 0.613 acceptable
T57_P12.M05 0.941 0.385 1.000 0.895 0.000 0.370 1369.3 2.584 33 5.762 2.558 3.954 108.97 100.00 2.299 0.330 acceptable
T57_P41.M01 0.824 0.263 1.000 1.000 0.000 0.345 1295.1 2.980 14 5.806 2.478 3.382 50.30 100.00 4.127 0.330 acceptable
T57_P33.M02 0.941 0.429 1.000 0.842 0.000 0.429 1545.7 4.684 20 6.186 2.606 3.771 60.56 100.00 3.754 0.330 acceptable
T57_P20.M04 0.647 0.476 1.000 0.737 0.000 0.440 1244.2 1.940 26 6.314 2.826 4.065 118.89 100.00 3.455 0.651 acceptable
T57_P17.M03 0.941 0.407 1.000 0.947 0.000 0.400 1462.8 2.830 11 6.335 2.788 3.919 153.62 100.00 4.934 0.330 acceptable
T57_P44.M05 0.824 0.364 1.000 0.790 0.000 0.348 1146.4 3.528 6 6.365 2.733 4.098 64.75 100.00 4.401 0.330 acceptable
T57_P16.M06 0.706 0.333 1.000 0.684 0.000 0.350 991.6 4.684 11 6.497 2.692 3.580 99.72 100.00 3.932 0.330 acceptable
T57_P44.M06 0.824 0.391 1.000 0.790 0.000 0.375 1287.0 4.670 5 6.514 2.721 4.327 9.88 100.00 4.361 0.330 acceptable
T57_P17.M05 1.000 0.414 1.000 1.000 0.000 0.387 1471.6 4.793 7 6.544 2.756 3.571 61.31 100.00 4.050 0.330 acceptable
T57_P17.M01 0.941 0.448 1.000 0.947 0.000 0.438 1499.7 3.098 11 6.559 2.878 4.023 102.74 100.00 5.039 0.330 acceptable
T57_P48.M10 0.471 0.429 1.000 0.579 0.000 0.267 893.2 5.189 11 6.628 2.802 4.201 62.70 100.00 3.604 0.784 acceptable
T57_P44.M01 1.000 0.346 1.000 0.947 0.000 0.357 1337.1 5.082 16 6.675 2.777 4.023 60.05 100.00 4.241 0.330 acceptable
T57_P24.M08 0.588 0.474 1.000 0.632 0.000 0.333 1098.9 3.105 35 6.753 2.975 4.002 106.95 100.00 3.092 0.588 acceptable
T57_P20.M10 0.647 0.353 1.000 0.684 0.000 0.316 955.2 4.939 19 7.088 2.964 3.724 76.73 100.00 4.314 0.599 acceptable
T57_P44.M07 0.824 0.333 1.000 0.842 0.000 0.333 1269.1 5.463 5 7.120 2.922 4.396 125.47 100.00 3.841 0.330 acceptable
T57_P44.M08 0.765 0.409 1.000 0.842 0.000 0.360 1154.6 6.527 9 8.020 3.251 4.549 103.97 100.00 3.972 0.330 acceptable
T57_P48.M02 0.882 0.250 1.000 0.895 0.000 0.292 1129.3 6.835 25 8.073 3.484 4.633 175.30 100.00 4.184 1.084 acceptable
T57_P46.M05 0.471 0.579 1.000 0.579 0.000 0.500 998.5 5.970 3 8.316 3.391 4.179 112.09 100.00 3.680 0.715 acceptable
T57_P11.M05 0.941 0.273 1.000 0.947 0.000 0.182 1100.4 6.760 10 8.332 3.333 4.207 153.56 100.00 3.682 0.331 acceptable
T57_P34.M04 0.882 0.375 1.000 0.947 0.000 0.333 1350.6 7.053 10 8.911 3.627 4.341 79.91 100.00 4.143 0.330 acceptable
T57_P33.M01 0.647 0.476 1.000 0.684 0.000 0.480 1218.1 7.811 20 9.066 3.582 4.115 97.39 100.00 3.352 0.330 acceptable
T57_P10.M02 0.765 0.278 1.000 0.842 0.000 0.273 1309.2 2.241 15 9.582 4.506 4.943 173.94 100.00 8.821 0.882 acceptable
T57_P49.M08 0.588 0.333 1.000 0.632 0.000 0.400 988.7 7.990 5 9.592 3.796 4.688 175.23 100.00 3.680 0.801 acceptable

Medium predictions 7, 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)
T57_P11.M10 0.706 0.143 1.000 0.790 0.000 0.062 873.2 1.347 16 3.216 1.369 2.025 17.56 100.00 2.053 0.331 medium
interface 0.647 0.000 1.000 0.684 0.000 0.071 718.7 0.063 12 3.683 1.678 2.728 0.64 100.00 3.680 0.330 medium
unbound 0.647 0.000 1.000 0.684 0.000 0.071 718.7 0.063 12 3.683 1.678 2.728 0.64 100.00 3.680 0.330 medium
T57_P12.M04 0.882 0.423 1.000 0.842 0.000 0.407 1374.5 2.363 31 4.555 1.921 2.794 68.31 100.00 1.764 0.330 medium
T57_P12.M01 0.941 0.333 1.000 1.000 0.000 0.240 1302.7 2.288 29 4.636 2.041 3.295 96.25 100.00 2.299 0.330 medium
T57_P20.M07 0.882 0.250 1.000 0.790 0.000 0.250 1173.6 2.866 31 4.677 2.038 3.274 41.24 100.00 3.557 0.609 medium
T57_P24.M05 0.765 0.188 1.000 0.632 0.000 0.294 924.3 3.111 26 4.876 2.108 3.397 38.81 100.00 3.200 0.553 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_57_xray 1.000 0.000 1.000 1.000 0.000 0.000 1018.5 0.000 15 0.000 0.000 0.000 0.00 100.00 0.000 0.000 high