Results for CAPRI round 28 target T64

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: 318

Clashes threshold filtering: 31.61
Average: 14.17
StdDev: 8.72
Sequence Identity threshold filtering: 70.0

Eliminated 10, remaining 308 predictions

Removed predictions:

(nclash > 31.61)
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)
T64_P40.M02 0.111 0.926 1.000 0.800 0.571 0.355 1346.4 5.826 32 6.420 2.633 6.475 46.65 100.00 2.019 0.287 clashes,incorrect
T64_P32.M10 0.000 1.000 0.833 0.000 0.500 1.000 1178.1 27.201 49 27.495 10.490 12.575 60.58 100.00 3.563 0.279 clashes,incorrect
T64_P28.M06 0.000 1.000 1.000 0.040 0.571 0.969 1646.6 29.396 77 31.096 13.578 15.197 154.96 100.00 1.533 0.276 clashes,incorrect
T64_P28.M04 0.000 1.000 1.000 0.160 0.538 0.895 1859.8 32.221 39 32.443 12.982 14.935 100.68 100.00 1.210 0.276 clashes,incorrect
T64_P32.M07 0.000 1.000 0.833 0.000 0.546 1.000 1204.7 34.006 41 34.729 14.529 16.397 122.56 100.00 3.389 0.279 clashes,incorrect
T64_P40.M10 0.000 1.000 1.000 0.040 0.455 0.971 1624.8 34.841 41 35.112 14.048 16.673 177.88 100.00 1.872 0.283 clashes,incorrect
T64_P28.M05 0.000 1.000 1.000 0.040 0.571 0.974 1948.3 35.743 46 35.987 14.201 16.708 60.10 100.00 2.072 0.276 clashes,incorrect
T64_P28.M07 0.000 1.000 1.000 0.000 0.571 1.000 2024.3 35.743 46 35.987 14.201 16.801 60.10 100.00 2.072 0.276 clashes,incorrect
T64_P28.M08 0.000 1.000 1.000 0.040 0.571 0.974 1920.5 35.743 38 35.987 14.201 16.708 60.10 100.00 2.072 0.276 clashes,incorrect
T64_P32.M09 0.000 1.000 0.500 0.000 0.700 1.000 1172.5 36.094 38 36.418 14.835 17.153 66.11 100.00 3.950 0.279 clashes,incorrect

Eliminated 2, remaining 306 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)
T64_P46.M06 0.000 1.000 0.833 0.400 0.615 0.714 1525.1 19.889 14 20.359 7.998 10.039 86.50 83.30 1.870 0.362 low_id,incorrect
T64_P29.M04 0.000 1.000 1.000 0.000 0.571 1.000 1947.6 37.678 7 38.107 15.011 17.156 155.25 83.30 2.144 0.716 low_id,incorrect

Incorrect predictions 226, remaining 80 predictions

Incorrect predictions:

((f(nat) < 0.2) || ((L_rmsd > 4.0) && (I_rmsdbb > 2.0)))
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)
T64_P29.M05 0.167 0.917 0.833 0.800 0.546 0.429 1663.5 2.093 7 3.669 1.750 5.312 100.19 100.00 2.087 0.682 incorrect
T64_P46.M07 0.167 0.903 1.000 0.960 0.400 0.250 1337.6 2.521 14 3.773 1.455 5.217 167.70 100.00 1.683 0.331 incorrect
T64_P45.M04 0.167 0.909 1.000 0.920 0.538 0.233 1465.3 2.648 13 3.831 1.552 5.016 161.69 97.89 1.627 0.340 incorrect
T64_P45.M03 0.111 0.938 1.000 0.840 0.538 0.382 1474.0 2.661 9 3.854 1.562 5.077 166.00 97.89 1.608 0.347 incorrect
T64_P45.M05 0.167 0.889 1.000 0.880 0.333 0.214 1242.2 2.655 8 3.854 1.546 5.066 164.71 97.89 1.615 0.390 incorrect
T64_P31.M05 0.167 0.946 1.000 0.880 0.571 0.511 2096.0 2.722 25 4.216 1.263 4.998 170.50 100.00 1.763 1.425 incorrect
T64_P15.M02 0.167 0.875 1.000 0.920 0.500 0.324 1444.9 3.114 2 4.291 1.700 3.982 95.73 100.00 1.806 0.279 incorrect
T64_P29.M01 0.167 0.927 1.000 0.920 0.571 0.425 1825.1 3.082 8 4.305 2.040 5.155 125.57 100.00 1.773 0.652 incorrect
T64_P16.M05 0.056 0.954 0.833 0.880 0.500 0.185 1390.1 3.182 3 4.695 2.203 5.675 70.25 100.00 3.262 0.273 incorrect
T64_P19.M05 0.167 0.923 0.667 0.880 0.667 0.421 1716.8 3.677 14 4.724 2.141 5.573 118.55 100.00 1.641 0.484 incorrect
T64_P25.M10 0.111 0.947 0.833 0.960 0.546 0.273 1666.3 4.056 14 4.975 1.710 5.788 101.59 100.00 1.901 0.270 incorrect
T64_P16.M10 0.167 0.893 1.000 0.880 0.538 0.241 1360.2 3.719 5 5.029 2.462 5.511 71.92 100.00 3.225 0.269 incorrect
T64_P29.M02 0.222 0.902 1.000 0.960 0.500 0.385 1889.1 4.531 12 5.375 2.055 5.098 125.55 100.00 1.563 0.652 incorrect
T64_P14.M08 0.389 0.863 1.000 0.840 0.500 0.533 1975.6 4.979 6 5.616 2.637 4.320 38.48 99.77 1.308 0.288 incorrect
T64_P05.M02 0.167 0.939 0.833 0.920 0.615 0.395 1925.7 4.987 15 5.704 2.547 5.678 92.71 100.00 1.373 0.593 incorrect
T64_P25.M08 0.222 0.867 1.000 0.960 0.500 0.351 1717.3 5.082 10 5.715 2.098 3.770 75.81 100.00 1.934 0.270 incorrect
T64_P25.M09 0.222 0.879 1.000 0.960 0.538 0.273 1728.9 5.156 13 5.767 2.119 4.268 79.30 100.00 1.851 0.270 incorrect
T64_P15.M08 0.167 0.800 0.667 0.800 0.500 0.091 912.0 4.932 9 5.835 2.473 4.295 39.96 100.00 1.309 0.279 incorrect
T64_P25.M03 0.222 0.902 1.000 0.960 0.538 0.400 1909.9 5.527 15 6.101 2.247 3.870 81.49 100.00 1.769 0.270 incorrect
T64_P40.M01 0.000 1.000 0.833 0.800 0.546 0.286 1121.7 5.520 21 6.160 2.599 6.476 21.74 100.00 2.047 0.285 incorrect
T64_P26.M04 0.111 0.913 0.833 0.720 0.444 0.217 1062.9 5.913 9 6.257 2.442 5.994 56.52 100.00 1.747 0.297 incorrect
T64_P26.M08 0.111 0.920 1.000 0.640 0.571 0.448 1512.9 5.690 18 6.261 2.359 5.791 121.93 100.00 1.449 0.288 incorrect
T64_P26.M05 0.111 0.929 0.500 0.760 0.727 0.367 1323.5 5.880 27 6.349 2.528 5.823 111.13 100.00 1.835 0.287 incorrect
T64_P28.M02 0.167 0.850 0.667 0.880 0.600 0.312 1429.5 5.813 19 6.386 2.593 5.649 129.75 100.00 1.600 0.276 incorrect
T64_P26.M01 0.111 0.889 0.833 0.720 0.546 0.419 1297.9 6.038 8 6.388 2.562 6.427 55.26 100.00 1.614 0.294 incorrect
T64_P26.M07 0.056 0.957 0.833 0.720 0.583 0.280 1303.9 6.046 17 6.419 2.543 6.239 52.07 100.00 1.780 0.293 incorrect
T64_P40.M04 0.056 0.963 1.000 0.800 0.538 0.310 1196.1 5.822 23 6.441 2.665 6.423 49.29 100.00 2.120 0.284 incorrect
T64_P40.M05 0.000 1.000 0.833 0.760 0.615 0.367 1363.3 5.809 28 6.447 2.618 6.520 52.87 100.00 1.986 0.285 incorrect
T64_P19.M06 0.111 0.944 0.833 0.880 0.583 0.371 1749.5 5.780 16 6.480 2.898 6.051 102.54 100.00 1.321 0.329 incorrect
T64_P26.M09 0.056 0.933 0.833 0.800 0.546 0.231 1228.3 5.966 5 6.525 2.617 6.255 130.08 100.00 1.544 0.294 incorrect
T64_P26.M02 0.000 1.000 0.500 0.760 0.727 0.387 1443.3 6.075 17 6.535 2.617 6.171 122.22 100.00 1.759 0.292 incorrect
T64_P26.M03 0.000 1.000 0.833 0.800 0.583 0.375 1326.7 6.006 20 6.573 2.586 5.974 119.74 100.00 1.456 0.293 incorrect
T64_P28.M10 0.167 0.929 1.000 0.880 0.538 0.511 1981.7 6.148 28 6.578 2.446 5.109 53.47 100.00 1.993 0.276 incorrect
T64_P40.M03 0.056 0.962 0.833 0.840 0.546 0.323 1371.0 5.960 11 6.582 2.730 6.457 41.29 100.00 1.979 0.285 incorrect
T64_P16.M01 0.222 0.879 0.833 0.880 0.583 0.154 1317.9 1.386 10 6.616 2.972 6.187 101.36 100.00 3.113 0.279 incorrect
T64_P36.M02 0.222 0.879 0.833 0.880 0.583 0.154 1317.9 1.386 10 6.616 2.972 6.187 101.36 100.00 3.113 0.279 incorrect
T64_P42.M04 0.278 0.921 1.000 0.960 0.571 0.467 2092.5 5.981 17 6.685 2.265 4.783 119.69 100.00 1.837 1.338 incorrect
T64_P26.M06 0.111 0.923 0.833 0.680 0.583 0.469 1496.2 6.200 9 6.709 2.673 6.556 127.71 100.00 1.466 0.295 incorrect
T64_P15.M06 0.278 0.808 1.000 0.840 0.538 0.364 1522.1 6.332 5 6.829 2.517 4.239 79.66 100.00 1.848 0.279 incorrect
T64_P39.M01 0.056 0.972 0.833 0.800 0.583 0.394 1605.7 5.086 28 7.124 3.123 5.604 130.85 100.00 2.784 0.501 incorrect
T64_P17.M08 0.111 0.926 1.000 0.800 0.538 0.394 1427.5 4.669 7 7.251 3.179 4.118 65.07 100.00 1.100 0.254 incorrect
T64_P26.M10 0.056 0.933 1.000 0.600 0.500 0.500 1427.0 6.680 7 7.560 2.715 6.421 86.00 100.00 1.466 0.297 incorrect
T64_P29.M03 0.222 0.911 1.000 0.800 0.571 0.500 2098.5 6.953 5 7.570 2.846 4.648 116.72 100.00 1.418 0.664 incorrect
T64_P42.M10 0.222 0.931 1.000 0.920 0.571 0.439 2222.1 7.548 18 8.196 2.923 4.040 117.27 100.00 2.215 1.528 incorrect
T64_P31.M03 0.167 0.950 1.000 0.920 0.571 0.511 2204.3 8.261 28 8.605 3.458 4.774 15.78 100.00 1.921 1.101 incorrect
T64_P31.M01 0.222 0.936 1.000 0.920 0.571 0.511 2263.7 8.449 24 8.758 3.607 4.722 16.66 100.00 1.898 1.151 incorrect
T64_P17.M04 0.000 1.000 0.833 0.560 0.375 0.417 1080.4 8.544 6 8.760 3.651 5.206 20.44 100.00 1.175 0.247 incorrect
T64_P31.M02 0.222 0.938 1.000 0.920 0.571 0.511 2250.2 8.458 31 8.776 3.529 4.670 15.75 100.00 1.898 1.137 incorrect
T64_P31.M04 0.167 0.948 1.000 0.920 0.571 0.500 2193.4 8.485 25 8.805 3.531 4.705 20.33 100.00 1.936 1.133 incorrect
T64_P42.M03 0.222 0.939 1.000 0.920 0.571 0.521 2267.7 8.511 30 8.851 3.534 4.717 15.96 100.00 1.900 1.113 incorrect
T64_P16.M02 0.000 1.000 0.667 0.760 0.636 0.321 1492.8 4.009 8 9.254 4.583 7.112 160.01 100.00 2.588 0.273 incorrect
T64_P36.M03 0.000 1.000 0.667 0.760 0.636 0.321 1492.8 4.009 8 9.254 4.583 7.112 160.01 100.00 2.588 0.273 incorrect
T64_P32.M08 0.056 0.944 0.500 0.560 0.625 0.462 1106.0 8.116 28 9.424 4.137 6.785 141.07 100.00 3.950 0.279 incorrect
T64_P17.M07 0.056 0.952 1.000 0.520 0.455 0.500 1271.5 9.168 4 9.440 4.137 5.700 42.79 100.00 1.193 0.246 incorrect
T64_P17.M05 0.111 0.931 1.000 0.760 0.500 0.240 1340.8 8.054 7 9.720 3.841 5.636 106.85 100.00 1.118 0.247 incorrect
T64_P17.M02 0.056 0.950 1.000 0.520 0.455 0.519 1317.6 9.638 4 9.781 4.308 5.780 17.87 100.00 1.195 0.244 incorrect
T64_P14.M01 0.167 0.941 1.000 0.920 0.571 0.343 1867.4 4.751 11 10.274 4.379 6.843 177.27 99.77 2.226 0.298 incorrect
T64_P17.M03 0.000 1.000 1.000 0.360 0.500 0.679 1364.7 10.220 5 10.406 4.142 5.442 20.21 100.00 1.163 0.254 incorrect
T64_P17.M06 0.111 0.938 1.000 0.680 0.455 0.227 1296.2 8.680 5 10.558 4.183 5.709 92.42 100.00 1.074 0.254 incorrect
T64_P17.M01 0.000 1.000 1.000 0.760 0.455 0.296 1274.0 11.127 7 11.303 4.540 6.519 46.56 100.00 1.113 0.258 incorrect
T64_P42.M02 0.111 0.970 1.000 0.960 0.571 0.564 2456.5 6.096 28 11.956 5.873 9.010 152.11 100.00 2.110 1.372 incorrect
T64_P32.M03 0.278 0.891 1.000 0.680 0.571 0.485 1786.3 7.922 11 12.156 5.835 8.402 131.64 100.00 1.954 0.394 incorrect
T64_P32.M04 0.278 0.894 0.833 0.640 0.615 0.500 1819.5 8.025 8 12.417 5.913 8.432 136.28 100.00 1.876 0.386 incorrect
T64_P32.M06 0.278 0.886 0.833 0.760 0.615 0.457 1852.1 8.491 10 12.714 6.050 8.310 141.07 100.00 1.959 0.387 incorrect
T64_P42.M01 0.333 0.910 1.000 0.760 0.571 0.604 2479.7 7.150 19 12.835 6.330 9.217 171.52 100.00 1.979 1.651 incorrect
T64_P31.M07 0.333 0.903 1.000 0.720 0.571 0.609 2399.9 7.148 23 12.863 6.352 9.008 170.27 100.00 1.955 1.633 incorrect
T64_P31.M08 0.333 0.903 1.000 0.800 0.571 0.600 2323.7 7.241 21 12.878 6.364 9.033 168.39 100.00 1.973 1.644 incorrect
T64_P35.M07 0.000 1.000 1.000 0.600 0.571 0.464 1454.3 12.198 20 13.297 5.269 7.903 136.08 100.00 2.083 0.279 incorrect
T64_P35.M03 0.000 1.000 1.000 0.640 0.571 0.448 1400.8 12.232 17 13.384 5.294 7.775 136.39 100.00 2.164 0.279 incorrect
T64_P35.M09 0.000 1.000 0.833 0.680 0.615 0.414 1265.3 13.666 8 14.454 5.767 7.190 142.27 100.00 1.783 0.279 incorrect
T64_P14.M02 0.000 1.000 0.833 0.840 0.615 0.475 1895.3 11.927 4 14.643 5.801 9.154 151.04 99.77 1.691 0.286 incorrect
T64_P14.M07 0.000 1.000 1.000 0.840 0.571 0.462 1882.5 12.743 5 14.993 6.130 9.873 173.45 99.77 1.520 0.288 incorrect
T64_P42.M06 0.000 1.000 1.000 0.880 0.571 0.511 2203.9 15.034 15 15.410 5.796 7.660 83.61 100.00 2.020 0.873 incorrect
T64_P42.M08 0.000 1.000 1.000 1.000 0.571 0.537 2427.3 11.967 21 15.757 7.262 9.682 171.44 100.00 1.553 1.226 incorrect
T64_P39.M07 0.000 1.000 0.667 0.200 0.600 0.808 1349.1 16.345 15 16.767 6.913 10.058 164.79 100.00 2.430 0.496 incorrect
T64_P35.M08 0.000 1.000 0.667 0.480 0.667 0.647 1460.5 16.132 17 16.802 6.451 8.663 65.08 100.00 1.982 0.279 incorrect
T64_P31.M09 0.000 1.000 1.000 0.760 0.571 0.525 2179.4 16.625 18 16.911 6.712 8.120 79.24 100.00 1.952 1.070 incorrect
T64_P42.M05 0.000 1.000 1.000 0.880 0.571 0.511 2219.8 16.787 23 17.042 6.812 8.109 58.19 100.00 2.005 1.055 incorrect
T64_P36.M01 0.000 1.000 0.833 0.240 0.546 0.800 1519.0 18.673 7 19.296 7.697 10.212 65.00 100.00 3.269 0.275 incorrect
T64_P16.M09 0.111 0.900 0.833 0.120 0.500 0.857 1403.1 18.032 5 19.474 8.343 10.162 173.68 100.00 3.227 0.265 incorrect
T64_P23.M05 0.000 1.000 0.667 0.040 0.667 0.964 1578.9 18.333 10 20.371 10.147 12.344 147.26 100.00 1.996 4.635 incorrect
T64_P30.M04 0.000 1.000 0.667 0.120 0.636 0.885 1523.8 19.189 11 20.414 8.540 11.254 156.35 100.00 3.351 0.279 incorrect
T64_P23.M03 0.000 1.000 1.000 0.040 0.571 0.972 1989.9 19.524 13 21.057 10.079 12.506 121.77 100.00 1.953 3.568 incorrect
T64_P31.M10 0.000 1.000 1.000 0.520 0.571 0.675 2034.8 18.404 19 21.099 9.715 12.126 147.94 100.00 1.831 1.680 incorrect
T64_P16.M08 0.111 0.929 0.833 0.120 0.546 0.880 1508.6 19.879 7 21.131 8.960 10.923 161.33 100.00 3.183 0.270 incorrect
T64_P48.M10 0.056 0.968 0.833 0.280 0.583 0.696 1626.7 20.337 13 21.494 9.176 11.532 102.35 100.00 2.798 1.158 incorrect
T64_P48.M06 0.056 0.971 0.833 0.280 0.615 0.731 1622.7 20.347 11 21.526 9.206 11.557 103.40 100.00 2.833 1.241 incorrect
T64_P48.M08 0.056 0.960 1.000 0.240 0.538 0.739 1472.4 20.398 10 21.688 8.604 10.850 105.74 100.00 2.417 2.044 incorrect
T64_P23.M01 0.000 1.000 1.000 0.040 0.571 0.964 1790.7 19.912 14 21.782 9.637 12.106 140.98 100.00 2.069 4.152 incorrect
T64_P48.M07 0.000 1.000 0.833 0.280 0.583 0.696 1615.1 20.680 11 21.809 9.404 11.614 98.97 100.00 2.862 1.207 incorrect
T64_P48.M09 0.000 1.000 1.000 0.240 0.538 0.727 1417.4 20.950 10 22.144 8.848 11.135 100.54 100.00 2.529 1.348 incorrect
T64_P23.M10 0.000 1.000 0.833 0.040 0.583 0.965 1373.5 20.524 14 22.151 9.437 11.704 130.24 100.00 2.079 2.745 incorrect
T64_P23.M04 0.000 1.000 0.833 0.040 0.615 0.970 1695.7 20.612 16 22.273 9.294 11.382 128.00 100.00 2.038 3.315 incorrect
T64_P23.M07 0.000 1.000 0.833 0.040 0.546 0.964 1549.5 20.972 14 22.383 9.517 11.397 119.18 100.00 2.179 1.860 incorrect
T64_P42.M07 0.000 1.000 1.000 0.520 0.571 0.683 2074.4 19.919 13 22.542 10.167 12.497 174.12 100.00 2.028 0.981 incorrect
T64_P44.M10 0.000 1.000 0.833 0.160 0.583 0.889 1900.7 20.456 14 22.647 10.185 12.628 175.59 100.00 1.650 0.342 incorrect
T64_P35.M10 0.000 1.000 1.000 0.240 0.571 0.824 1574.4 22.342 19 22.707 9.103 11.812 161.31 100.00 1.894 0.279 incorrect
T64_P44.M08 0.000 1.000 1.000 0.360 0.571 0.757 1761.1 22.818 16 23.495 9.050 11.744 164.41 100.00 1.997 0.349 incorrect
T64_P23.M08 0.000 1.000 0.833 0.080 0.546 0.913 1167.8 22.460 10 24.037 10.821 11.936 165.98 100.00 1.769 3.094 incorrect
T64_P39.M04 0.000 1.000 0.833 0.080 0.583 0.947 1631.8 23.131 14 24.120 9.939 11.861 178.66 100.00 3.383 0.509 incorrect
T64_P46.M03 0.000 1.000 1.000 0.200 0.571 0.872 1986.2 24.096 6 24.340 9.086 11.327 122.76 100.00 2.133 0.655 incorrect
T64_P49.M03 0.000 1.000 1.000 0.280 0.538 0.794 1765.2 24.366 7 24.550 9.745 12.151 97.98 100.00 2.054 0.277 incorrect
T64_P46.M01 0.000 1.000 1.000 0.240 0.571 0.854 1946.4 24.334 6 24.551 9.224 11.353 130.72 100.00 2.006 0.668 incorrect
T64_P14.M04 0.000 1.000 0.833 0.120 0.583 0.914 1812.6 24.489 8 24.744 9.795 11.238 43.00 99.77 2.725 0.327 incorrect
T64_P23.M09 0.000 1.000 0.833 0.080 0.444 0.917 1266.5 23.740 6 24.787 10.492 11.807 115.10 100.00 1.823 1.913 incorrect
T64_P46.M04 0.000 1.000 1.000 0.120 0.571 0.923 2026.7 24.607 7 24.841 9.455 11.338 135.52 100.00 2.159 0.638 incorrect
T64_P39.M05 0.000 1.000 0.833 0.040 0.583 0.969 1745.3 23.538 19 24.874 10.873 14.058 165.99 100.00 3.146 0.484 incorrect
T64_P23.M06 0.000 1.000 0.833 0.080 0.546 0.926 1313.5 23.550 14 25.085 11.379 13.016 160.57 100.00 1.807 3.316 incorrect
T64_P46.M02 0.000 1.000 1.000 0.160 0.571 0.902 2011.1 25.323 7 25.529 9.606 11.789 128.01 100.00 2.332 0.652 incorrect
T64_P39.M06 0.000 1.000 0.833 0.000 0.583 1.000 1366.6 26.367 15 26.894 10.963 12.194 92.03 100.00 3.101 0.526 incorrect
T64_P46.M05 0.000 1.000 1.000 0.040 0.571 0.974 1839.4 26.956 7 27.153 10.758 12.101 122.51 100.00 1.900 0.442 incorrect
T64_P39.M10 0.000 1.000 0.667 0.000 0.667 1.000 1588.7 26.633 26 27.694 11.468 15.226 142.27 100.00 3.588 0.491 incorrect
T64_P24.M02 0.000 1.000 0.833 0.080 0.615 0.933 1659.9 26.686 22 28.111 12.241 14.346 149.51 100.00 1.763 0.373 incorrect
T64_P49.M09 0.000 1.000 0.833 0.120 0.615 0.909 1697.2 27.967 6 28.268 11.031 12.767 51.45 100.00 1.803 0.351 incorrect
T64_P30.M10 0.000 1.000 0.833 0.160 0.583 0.833 1453.5 27.773 8 28.369 11.382 14.089 145.04 100.00 3.462 0.279 incorrect
T64_P23.M02 0.000 1.000 0.833 0.120 0.546 0.864 1351.6 26.670 9 28.641 13.170 14.588 170.30 100.00 2.002 3.553 incorrect
T64_P14.M06 0.000 1.000 0.833 0.000 0.615 1.000 1715.2 28.890 5 28.991 11.820 14.654 27.56 99.77 1.795 0.308 incorrect
T64_P49.M04 0.000 1.000 0.833 0.040 0.615 0.971 1714.1 29.214 12 29.497 11.618 13.628 48.80 100.00 1.823 0.351 incorrect
T64_P14.M03 0.000 1.000 0.833 0.000 0.615 1.000 1884.1 29.388 9 29.553 12.187 15.180 33.95 99.77 1.722 0.319 incorrect
T64_P28.M01 0.000 1.000 1.000 0.000 0.143 1.000 1200.8 29.467 18 29.662 11.710 14.223 89.81 100.00 2.244 0.276 incorrect
T64_P32.M05 0.000 1.000 1.000 0.200 0.538 0.848 1745.9 29.050 12 29.907 11.604 13.144 169.77 100.00 1.946 0.394 incorrect
T64_P29.M06 0.000 1.000 1.000 0.240 0.538 0.854 1883.1 29.844 5 30.105 12.044 14.023 103.21 100.00 1.825 0.679 incorrect
T64_P16.M07 0.000 1.000 0.833 0.000 0.583 1.000 1436.9 29.078 6 30.121 12.945 15.001 143.01 100.00 3.232 0.272 incorrect
T64_P39.M03 0.000 1.000 0.833 0.000 0.615 1.000 1546.5 29.505 17 30.151 12.985 15.568 118.50 100.00 2.698 0.495 incorrect
T64_P39.M09 0.000 1.000 0.667 0.000 0.636 1.000 1131.5 29.068 13 30.218 13.456 15.292 169.11 100.00 2.929 0.476 incorrect
T64_P39.M02 0.000 1.000 0.833 0.000 0.500 1.000 1563.4 30.083 14 30.329 12.239 14.129 24.28 100.00 3.235 0.519 incorrect
T64_P32.M02 0.000 1.000 1.000 0.200 0.500 0.857 1644.1 29.658 12 30.475 11.857 13.518 169.10 100.00 1.981 0.383 incorrect
T64_P14.M05 0.000 1.000 1.000 0.000 0.571 1.000 1831.6 30.345 9 30.544 12.464 13.815 98.03 99.77 2.517 0.308 incorrect
T64_P32.M01 0.000 1.000 0.833 0.200 0.615 0.853 1784.3 29.892 13 30.712 11.972 13.668 169.23 100.00 1.862 0.395 incorrect
T64_P16.M04 0.000 1.000 0.833 0.000 0.546 1.000 1447.5 29.645 8 30.728 12.957 15.377 172.65 100.00 3.238 0.268 incorrect
T64_P36.M08 0.000 1.000 0.833 0.000 0.546 1.000 1447.5 29.645 8 30.728 12.957 15.377 172.65 100.00 3.238 0.268 incorrect
T64_P24.M06 0.000 1.000 0.833 0.000 0.583 1.000 1455.6 31.108 19 31.463 12.511 13.750 178.91 100.00 1.324 0.373 incorrect
T64_P16.M03 0.000 1.000 0.667 0.000 0.556 1.000 1205.0 31.493 4 31.805 12.728 14.330 66.87 100.00 2.592 0.267 incorrect
T64_P36.M05 0.000 1.000 0.667 0.000 0.556 1.000 1205.0 31.493 4 31.805 12.728 14.330 66.87 100.00 2.592 0.267 incorrect
T64_P49.M01 0.000 1.000 1.000 0.000 0.455 1.000 1489.0 31.449 12 31.901 12.799 13.978 160.63 100.00 1.829 0.278 incorrect
T64_P12.M09 0.000 1.000 1.000 0.000 0.571 1.000 2018.4 32.241 11 32.455 12.858 14.813 104.54 100.00 1.467 0.269 incorrect
T64_P19.M01 0.000 1.000 1.000 0.160 0.571 0.907 2230.9 32.354 20 32.580 12.917 14.837 118.36 100.00 1.666 0.324 incorrect
T64_P19.M02 0.000 1.000 1.000 0.160 0.571 0.907 2227.4 32.352 21 32.585 12.913 14.988 118.09 100.00 1.672 0.336 incorrect
T64_P12.M10 0.000 1.000 1.000 0.040 0.571 0.974 1879.5 32.360 13 32.587 12.876 14.795 116.19 100.00 1.632 0.269 incorrect
T64_P08.M06 0.000 1.000 1.000 0.000 0.571 1.000 2274.1 32.422 18 32.612 12.996 15.094 109.78 100.00 1.294 0.325 incorrect
T64_P12.M06 0.000 1.000 1.000 0.000 0.571 1.000 1783.5 32.381 11 32.612 12.906 14.913 117.37 100.00 1.663 0.279 incorrect
T64_P12.M01 0.000 1.000 1.000 0.000 0.571 1.000 1955.8 32.415 8 32.641 12.886 14.828 104.61 100.00 1.666 0.269 incorrect
T64_P08.M01 0.000 1.000 1.000 0.000 0.571 1.000 2245.9 32.438 14 32.643 13.024 14.855 109.50 100.00 1.168 0.325 incorrect
T64_P12.M03 0.000 1.000 1.000 0.000 0.571 1.000 1779.2 32.426 7 32.646 12.890 14.924 101.46 100.00 1.683 0.269 incorrect
T64_P08.M05 0.000 1.000 1.000 0.000 0.571 1.000 2146.7 32.433 17 32.647 13.006 15.126 108.44 100.00 1.221 0.325 incorrect
T64_P12.M05 0.000 1.000 1.000 0.040 0.571 0.975 1860.0 32.443 8 32.668 12.913 14.784 110.23 100.00 1.746 0.279 incorrect
T64_P12.M07 0.000 1.000 1.000 0.000 0.455 1.000 1633.7 32.439 12 32.669 12.914 14.892 107.39 100.00 1.639 0.279 incorrect
T64_P08.M04 0.000 1.000 1.000 0.000 0.571 1.000 2274.0 32.463 16 32.671 13.012 15.104 103.19 100.00 1.250 0.325 incorrect
T64_P12.M04 0.000 1.000 1.000 0.000 0.571 1.000 1855.2 32.455 8 32.678 12.924 14.873 108.01 100.00 1.741 0.279 incorrect
T64_P12.M08 0.000 1.000 1.000 0.000 0.500 1.000 1737.4 32.486 6 32.703 12.929 14.777 109.87 100.00 1.699 0.279 incorrect
T64_P44.M09 0.000 1.000 1.000 0.200 0.571 0.891 2046.0 32.476 24 32.709 12.951 15.036 99.47 100.00 1.563 0.338 incorrect
T64_P02.M10 0.000 1.000 1.000 0.120 0.571 0.914 1795.9 32.490 6 32.713 12.989 15.251 118.31 100.00 1.606 0.318 incorrect
T64_P08.M08 0.000 1.000 1.000 0.000 0.571 1.000 2257.5 32.495 20 32.720 13.012 15.130 116.74 100.00 1.287 0.325 incorrect
T64_P05.M03 0.000 1.000 1.000 0.080 0.571 0.954 2084.4 32.552 15 32.765 13.117 14.819 93.40 99.30 1.278 0.546 incorrect
T64_P49.M02 0.000 1.000 1.000 0.000 0.538 1.000 1813.1 32.549 14 32.766 13.303 15.132 172.68 100.00 1.808 0.278 incorrect
T64_P45.M08 0.000 1.000 1.000 0.080 0.571 0.957 2089.5 32.546 23 32.767 13.029 14.684 115.12 97.89 1.510 0.275 incorrect
T64_P08.M07 0.000 1.000 1.000 0.000 0.571 1.000 2106.0 32.577 13 32.799 13.036 15.071 110.58 100.00 1.331 0.325 incorrect
T64_P45.M02 0.000 1.000 1.000 0.080 0.571 0.957 2142.1 32.605 27 32.822 13.067 14.968 115.33 97.89 1.490 0.315 incorrect
T64_P12.M02 0.000 1.000 1.000 0.000 0.571 1.000 1832.6 32.612 9 32.834 12.976 14.964 105.57 100.00 1.605 0.174 incorrect
T64_P08.M02 0.000 1.000 1.000 0.000 0.571 1.000 2241.9 32.660 14 32.870 13.041 15.004 120.91 100.00 1.560 0.325 incorrect
T64_P45.M07 0.000 1.000 1.000 0.040 0.571 0.978 2022.6 32.662 21 32.872 13.002 14.823 116.08 97.89 1.522 0.414 incorrect
T64_P08.M03 0.000 1.000 1.000 0.000 0.571 1.000 2215.2 32.683 15 32.905 13.039 15.167 127.51 100.00 1.590 0.325 incorrect
T64_P19.M09 0.000 1.000 1.000 0.120 0.538 0.919 1843.8 32.666 13 32.908 13.032 14.815 107.67 100.00 1.771 0.312 incorrect
T64_P29.M07 0.000 1.000 1.000 0.080 0.500 0.944 1727.4 32.736 11 33.011 13.049 15.642 116.19 100.00 1.736 0.689 incorrect
T64_P35.M01 0.000 1.000 1.000 0.080 0.571 0.946 1800.6 32.748 19 33.033 13.043 14.918 107.02 100.00 1.811 0.279 incorrect
T64_P14.M10 0.000 1.000 0.833 0.000 0.615 1.000 1776.0 33.005 6 33.075 13.559 16.381 21.14 99.77 1.681 0.285 incorrect
T64_P45.M10 0.000 1.000 1.000 0.000 0.571 1.000 2019.2 32.859 21 33.075 13.156 14.876 113.57 97.89 1.536 0.388 incorrect
T64_P45.M09 0.000 1.000 1.000 0.000 0.571 1.000 2032.0 32.889 21 33.106 13.185 15.136 116.19 97.89 1.529 0.478 incorrect
T64_P19.M03 0.000 1.000 1.000 0.000 0.538 1.000 2137.1 32.917 22 33.135 13.118 15.789 113.53 100.00 1.466 0.489 incorrect
T64_P36.M09 0.000 1.000 0.833 0.000 0.546 1.000 1390.7 33.642 6 34.021 13.776 15.642 86.60 100.00 3.172 0.266 incorrect
T64_P24.M03 0.000 1.000 0.833 0.000 0.583 1.000 1349.2 33.037 14 34.120 13.693 14.558 162.37 100.00 1.303 0.373 incorrect
T64_P30.M08 0.000 1.000 1.000 0.040 0.538 0.967 1562.3 33.966 5 34.294 13.329 15.293 127.03 100.00 1.900 0.279 incorrect
T64_P30.M03 0.000 1.000 0.833 0.000 0.546 1.000 1191.7 33.896 9 34.297 14.263 16.347 147.78 100.00 3.291 0.279 incorrect
T64_P24.M04 0.000 1.000 0.833 0.000 0.375 1.000 1218.0 32.872 7 34.340 13.786 14.821 170.04 100.00 1.368 0.373 incorrect
T64_P30.M07 0.000 1.000 1.000 0.040 0.571 0.975 1809.4 34.195 7 34.438 13.656 15.307 85.04 100.00 1.794 0.279 incorrect
T64_P17.M09 0.000 1.000 1.000 0.000 0.500 1.000 1360.2 34.006 7 34.725 13.757 16.279 175.78 100.00 1.130 0.251 incorrect
T64_P49.M07 0.000 1.000 1.000 0.040 0.571 0.969 1706.8 34.662 9 34.756 14.087 15.929 164.28 100.00 2.168 0.288 incorrect
T64_P29.M08 0.000 1.000 0.833 0.080 0.546 0.946 1699.2 34.344 9 34.833 13.947 16.133 136.09 100.00 1.769 0.704 incorrect
T64_P40.M06 0.000 1.000 1.000 0.040 0.455 0.967 1449.1 34.869 20 35.168 14.072 16.337 176.42 100.00 1.900 0.283 incorrect
T64_P40.M08 0.000 1.000 1.000 0.040 0.538 0.971 1420.9 34.897 14 35.170 14.056 15.803 163.34 100.00 1.992 0.284 incorrect
T64_P46.M08 0.000 1.000 1.000 0.000 0.455 1.000 1450.0 34.960 6 35.194 13.988 15.593 74.04 100.00 1.862 0.410 incorrect
T64_P40.M09 0.000 1.000 1.000 0.000 0.455 1.000 1481.5 34.923 20 35.211 14.099 16.491 171.31 100.00 1.910 0.283 incorrect
T64_P05.M04 0.000 1.000 1.000 0.040 0.538 0.974 1870.9 35.048 7 35.310 14.201 15.937 163.74 100.00 1.775 0.727 incorrect
T64_P44.M05 0.000 1.000 1.000 0.080 0.538 0.952 1948.3 35.064 16 35.341 14.116 15.939 138.78 100.00 1.747 0.339 incorrect
T64_P40.M07 0.000 1.000 1.000 0.040 0.400 0.969 1555.0 35.040 26 35.348 14.149 16.517 175.30 100.00 1.906 0.283 incorrect
T64_P46.M10 0.000 1.000 1.000 0.000 0.500 1.000 1645.2 35.181 3 35.403 14.093 15.647 64.83 100.00 1.852 0.277 incorrect
T64_P36.M04 0.000 1.000 0.667 0.000 0.600 1.000 1178.9 34.826 3 35.427 14.275 16.787 138.31 100.00 3.332 0.266 incorrect
T64_P44.M02 0.000 1.000 1.000 0.080 0.538 0.947 1931.4 35.241 17 35.521 14.138 15.900 140.14 100.00 1.731 0.338 incorrect
T64_P44.M04 0.000 1.000 1.000 0.000 0.571 1.000 2088.0 35.236 16 35.529 14.127 16.291 135.92 100.00 1.728 0.335 incorrect
T64_P44.M03 0.000 1.000 1.000 0.000 0.538 1.000 1718.4 35.403 16 35.681 14.248 15.864 150.32 100.00 1.737 0.336 incorrect
T64_P44.M01 0.000 1.000 1.000 0.080 0.500 0.951 1967.5 35.594 23 35.840 14.158 15.912 42.42 100.00 2.036 0.335 incorrect
T64_P17.M10 0.000 1.000 0.667 0.000 0.429 1.000 1034.6 34.816 2 35.867 15.370 17.873 131.24 100.00 1.150 0.257 incorrect
T64_P48.M03 0.000 1.000 0.667 0.000 0.636 1.000 1636.6 35.558 10 35.897 14.183 16.439 67.38 100.00 2.177 1.647 incorrect
T64_P49.M10 0.000 1.000 1.000 0.000 0.538 1.000 1504.9 35.858 4 35.934 14.495 16.878 166.11 100.00 2.149 0.288 incorrect
T64_P48.M01 0.000 1.000 0.833 0.000 0.615 1.000 1587.5 35.786 8 36.044 14.387 16.614 99.76 100.00 2.120 2.001 incorrect
T64_P24.M10 0.000 1.000 1.000 0.000 0.400 1.000 1196.2 35.489 13 36.054 14.813 16.635 176.01 100.00 1.163 0.373 incorrect
T64_P24.M08 0.000 1.000 1.000 0.000 0.400 1.000 1068.3 35.019 12 36.157 14.831 16.345 152.12 100.00 1.605 0.373 incorrect
T64_P35.M02 0.000 1.000 1.000 0.040 0.571 0.974 1818.3 35.960 21 36.231 14.304 16.120 65.09 100.00 1.997 0.279 incorrect
T64_P48.M02 0.000 1.000 0.833 0.000 0.583 1.000 1598.2 36.045 11 36.307 14.262 16.430 77.05 100.00 2.039 1.568 incorrect
T64_P48.M05 0.000 1.000 1.000 0.000 0.538 1.000 1639.7 35.912 8 36.403 14.588 17.584 155.35 100.00 2.172 2.597 incorrect
T64_P36.M10 0.000 1.000 0.833 0.000 0.546 1.000 1156.8 35.857 5 36.457 15.331 17.015 105.38 100.00 3.184 0.276 incorrect
T64_P44.M06 0.000 1.000 1.000 0.040 0.571 0.971 1694.3 35.308 10 36.620 15.781 18.094 149.63 100.00 2.031 0.342 incorrect
T64_P48.M04 0.000 1.000 0.833 0.040 0.615 0.971 1598.7 36.370 10 36.672 14.700 17.022 48.98 100.00 2.168 1.847 incorrect
T64_P30.M05 0.000 1.000 1.000 0.000 0.400 1.000 1230.0 36.433 7 36.754 14.642 16.344 69.58 100.00 3.265 0.279 incorrect
T64_P36.M06 0.000 1.000 0.833 0.000 0.546 1.000 1223.9 36.628 9 36.770 14.759 17.054 132.86 100.00 2.999 0.269 incorrect
T64_P05.M09 0.000 1.000 0.833 0.000 0.444 1.000 1108.7 36.105 2 37.146 15.861 18.119 163.87 100.00 1.129 0.259 incorrect
T64_P36.M07 0.000 1.000 0.667 0.000 0.636 1.000 1061.2 36.650 7 37.238 15.600 17.286 108.12 100.00 3.223 0.266 incorrect
T64_P30.M02 0.000 1.000 1.000 0.000 0.333 1.000 1195.8 37.123 5 37.303 14.909 16.091 51.71 100.00 3.272 0.279 incorrect
T64_P24.M09 0.000 1.000 1.000 0.000 0.538 1.000 1545.1 37.434 19 37.950 15.030 17.268 162.24 100.00 1.628 0.373 incorrect
T64_P44.M07 0.000 1.000 1.000 0.000 0.571 1.000 2147.1 37.629 17 37.995 15.182 17.522 170.51 100.00 1.326 0.344 incorrect
T64_P19.M10 0.000 1.000 1.000 0.000 0.500 1.000 1724.2 38.230 11 38.534 15.309 18.163 168.18 100.00 1.842 0.317 incorrect
T64_P05.M07 0.000 1.000 1.000 0.040 0.571 0.977 1985.4 38.450 12 38.794 15.248 17.473 131.72 100.00 1.829 0.536 incorrect
T64_P30.M09 0.000 1.000 0.833 0.000 0.546 1.000 1269.2 38.666 3 39.024 15.434 16.972 85.37 100.00 3.389 0.279 incorrect
T64_P30.M01 0.000 1.000 0.833 0.000 0.444 1.000 1212.3 38.845 5 39.044 15.671 17.116 55.49 100.00 3.252 0.279 incorrect
T64_P05.M05 0.000 1.000 1.000 0.000 0.571 1.000 2102.2 38.901 22 39.153 15.518 17.679 150.83 100.00 1.819 0.575 incorrect
T64_P30.M06 0.000 1.000 0.833 0.000 0.444 1.000 1224.4 39.052 6 39.311 15.754 16.990 63.90 100.00 3.268 0.279 incorrect
T64_P35.M04 0.000 1.000 1.000 0.000 0.571 1.000 1804.7 39.024 15 39.331 15.558 18.011 142.68 100.00 1.984 0.279 incorrect
T64_P05.M06 0.000 1.000 1.000 0.000 0.571 1.000 2053.3 39.511 7 39.851 15.678 17.854 131.52 100.00 1.865 0.537 incorrect
T64_P24.M07 0.000 1.000 0.833 0.000 0.615 1.000 1788.3 38.907 17 39.881 17.062 18.994 156.73 100.00 1.780 0.373 incorrect
T64_P05.M10 0.000 1.000 1.000 0.000 0.571 1.000 1697.8 39.539 9 39.885 15.641 17.952 126.88 100.00 1.808 0.541 incorrect
T64_P05.M08 0.000 1.000 1.000 0.000 0.571 1.000 1675.7 40.005 8 40.338 15.866 18.084 129.09 100.00 1.866 0.530 incorrect
T64_P35.M05 0.000 1.000 1.000 0.000 0.571 1.000 1592.1 42.343 11 42.551 16.843 19.402 53.62 100.00 1.741 0.279 incorrect
T64_P16.M06 0.000 1.000 0.667 0.000 0.636 1.000 1214.9 42.528 4 42.681 17.269 19.875 99.94 100.00 3.340 0.265 incorrect
T64_P39.M08 0.000 1.000 0.833 0.000 0.615 1.000 1500.2 43.507 5 43.648 18.132 20.460 123.07 100.00 3.385 0.491 incorrect
T64_P35.M06 0.000 1.000 1.000 0.000 0.538 1.000 1873.3 45.411 26 45.591 18.134 21.065 67.18 100.00 2.066 0.279 incorrect
T64_P24.M05 0.000 1.000 1.000 0.000 0.500 1.000 1111.3 56.428 13 57.034 24.024 26.748 132.40 100.00 1.599 0.373 incorrect

Acceptable predictions 26, remaining 54 predictions

Acceptable predictions:

(((f(nat) >= 0.2) && (f(nat) < 0.5)) && ((L_rmsd <= 4.0) || (I_rmsdbb <= 2.0)) || ((f(nat) >= 0.5) && (L_rmsd > 2.0) && (I_rmsdbb > 1.0)))
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)
T64_P09.M10 0.444 0.800 1.000 0.880 0.571 0.532 2082.8 1.961 17 2.599 0.812 3.030 32.46 100.00 1.356 0.279 acceptable
T64_P09.M08 0.778 0.674 1.000 0.800 0.571 0.474 1870.9 1.346 16 2.622 1.029 2.897 28.11 100.00 1.786 0.279 acceptable
T64_P21.M08 0.667 0.647 1.000 0.920 0.500 0.258 1629.8 1.392 9 2.668 1.115 4.378 20.71 100.00 2.111 0.278 acceptable
T64_P49.M06 0.667 0.684 1.000 0.880 0.500 0.290 1549.8 0.666 11 2.682 1.128 4.086 53.67 100.00 2.157 0.286 acceptable
T64_P49.M08 0.333 0.793 0.833 0.800 0.583 0.355 1571.0 1.798 13 2.850 1.104 3.570 45.63 100.00 1.861 0.290 acceptable
T64_P49.M05 0.556 0.762 1.000 0.880 0.500 0.312 1717.3 1.149 9 3.061 1.369 4.204 32.00 100.00 2.190 0.286 acceptable
T64_P15.M07 0.556 0.412 1.000 0.840 0.250 0.160 1010.9 1.005 13 3.362 1.495 3.590 37.60 100.00 1.709 0.279 acceptable
T64_P45.M01 0.222 0.886 1.000 0.960 0.455 0.314 1595.8 2.659 15 3.669 1.482 5.107 134.39 97.89 1.555 0.437 acceptable
T64_P15.M10 0.500 0.526 1.000 0.800 0.333 0.231 1149.9 1.114 19 3.808 1.716 3.944 46.83 100.00 1.806 0.279 acceptable
T64_P15.M05 0.389 0.806 1.000 0.840 0.571 0.462 1902.1 1.981 9 3.888 1.559 4.378 100.67 100.00 1.850 0.279 acceptable
T64_P45.M06 0.333 0.829 1.000 0.880 0.538 0.290 1490.5 2.743 22 3.897 1.545 4.968 162.65 97.89 1.772 0.309 acceptable
T64_P15.M09 0.444 0.467 1.000 0.840 0.250 0.160 984.5 1.383 16 3.917 1.733 3.800 38.49 100.00 1.712 0.279 acceptable
T64_P15.M01 0.278 0.865 1.000 0.880 0.571 0.405 1761.6 1.926 10 3.931 1.429 4.724 114.32 100.00 1.615 0.279 acceptable
T64_P46.M09 0.222 0.889 1.000 0.920 0.455 0.303 1582.7 2.692 3 4.080 1.471 5.259 178.58 100.00 1.657 0.287 acceptable
T64_P06.M04 0.444 0.667 0.833 0.720 0.546 0.514 1735.1 2.640 8 4.116 1.228 2.838 69.80 100.00 2.005 0.885 acceptable
T64_P15.M04 0.278 0.815 1.000 0.760 0.500 0.424 1467.9 2.316 9 4.120 1.537 4.260 79.56 100.00 1.711 0.279 acceptable
T64_P31.M06 0.222 0.931 1.000 0.880 0.571 0.511 2100.0 2.692 21 4.240 1.242 4.987 169.66 100.00 1.753 1.436 acceptable
T64_P15.M03 0.333 0.829 0.833 0.800 0.615 0.429 1675.3 3.663 13 4.371 1.530 4.306 177.62 100.00 2.148 0.279 acceptable
T64_P14.M09 0.278 0.891 1.000 0.960 0.538 0.294 1700.1 1.940 11 4.406 1.909 5.548 90.39 99.77 2.514 0.298 acceptable
T64_P42.M09 0.222 0.930 1.000 0.880 0.571 0.500 2125.0 3.102 20 4.652 1.246 4.900 157.07 100.00 1.835 1.413 acceptable
T64_P25.M05 0.222 0.875 1.000 0.960 0.455 0.314 1666.8 3.977 15 4.922 1.732 5.025 147.18 100.00 1.813 0.270 acceptable
T64_P25.M04 0.278 0.875 1.000 0.960 0.538 0.351 1707.6 4.185 18 5.016 1.739 5.655 109.83 100.00 1.867 0.270 acceptable
T64_P25.M07 0.222 0.907 1.000 0.960 0.538 0.333 1793.5 4.106 17 5.194 1.955 5.101 174.62 100.00 1.685 0.270 acceptable
T64_P25.M02 0.278 0.878 1.000 0.760 0.571 0.457 1796.7 4.499 23 5.271 1.834 5.567 104.45 100.00 1.920 0.270 acceptable
T64_P25.M06 0.278 0.868 1.000 0.960 0.538 0.200 1577.1 4.273 23 5.272 1.938 5.096 172.59 100.00 1.722 0.270 acceptable
T64_P25.M01 0.222 0.922 1.000 0.960 0.571 0.250 1702.0 4.213 26 5.285 1.937 5.058 172.41 100.00 1.727 0.270 acceptable

Medium predictions 54, remaining 0 predictions

Medium predictions:

((((f(nat) >= 0.5) && (f(nat) < 0.8)) && ((L_rmsd <= 2.0) || (I_rmsdbb <= 1.0))) || ((f(nat) >= 0.8) && (L_rmsd > 1.0) && (I_rmsdbb > 0.5)))
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)
T64_P03.M08 0.611 0.593 1.000 0.920 0.500 0.303 1523.8 0.746 13 0.917 0.389 1.888 1.87 100.00 0.502 0.289 medium
T64_P03.M06 0.778 0.500 1.000 0.920 0.400 0.281 1409.3 0.870 13 1.124 0.388 1.623 17.91 100.00 0.557 0.289 medium
T64_P03.M07 0.722 0.500 0.833 0.920 0.546 0.361 1646.0 0.691 13 1.213 0.513 1.573 10.70 100.00 0.944 0.289 medium
T64_P09.M06 0.722 0.675 1.000 0.840 0.571 0.447 1899.5 0.295 16 1.362 0.524 2.612 9.75 100.00 1.128 0.279 medium
T64_P02.M02 0.833 0.625 1.000 0.880 0.571 0.389 1827.6 0.653 7 1.453 0.667 2.021 6.78 100.00 1.184 0.448 medium
T64_P21.M01 0.889 0.673 0.833 0.880 0.615 0.488 1924.0 0.162 13 1.710 0.593 1.765 17.58 100.00 1.600 0.278 medium
T64_P28.M03 0.611 0.633 0.833 0.920 0.444 0.343 1536.1 0.849 18 1.827 0.650 3.038 26.15 100.00 1.295 0.276 medium
T64_P08.M10 0.778 0.588 1.000 0.960 0.538 0.250 1644.2 0.502 8 1.845 0.555 2.136 25.84 100.00 1.283 0.325 medium
T64_P03.M04 0.667 0.556 1.000 0.840 0.500 0.344 1577.1 1.117 26 1.855 0.669 2.003 10.73 100.00 1.403 0.289 medium
T64_P24.M01 0.944 0.622 1.000 0.880 0.571 0.500 1950.8 0.580 31 1.898 0.586 2.051 41.25 100.00 1.147 0.373 medium
T64_P02.M03 0.889 0.484 1.000 0.880 0.455 0.333 1556.4 0.772 8 1.976 0.672 2.293 16.65 100.00 1.312 0.456 medium
T64_P09.M03 0.833 0.651 1.000 0.840 0.571 0.417 2033.6 0.771 20 2.034 0.628 1.825 25.92 100.00 1.188 0.279 medium
T64_P09.M02 0.778 0.588 1.000 0.720 0.571 0.438 1920.7 0.848 18 2.045 0.564 2.220 28.58 100.00 1.075 0.279 medium
T64_P19.M04 0.889 0.600 1.000 0.840 0.538 0.400 1709.4 1.092 12 2.054 0.547 1.770 22.17 100.00 1.389 0.335 medium
T64_P02.M04 0.833 0.516 0.833 0.960 0.546 0.333 1593.0 1.369 5 2.095 0.545 2.408 8.67 100.00 1.407 0.358 medium
T64_P28.M09 0.556 0.722 1.000 0.920 0.455 0.425 1752.4 0.812 22 2.095 0.650 2.976 41.11 100.00 1.390 0.276 medium
T64_P02.M08 0.722 0.606 1.000 0.920 0.455 0.233 1622.4 1.109 5 2.114 0.664 2.378 19.87 100.00 1.338 0.497 medium
T64_P21.M07 0.889 0.590 0.667 0.880 0.600 0.333 1682.1 0.234 9 2.116 0.883 1.974 12.63 100.00 1.908 0.278 medium
T64_P02.M09 0.889 0.619 1.000 0.960 0.571 0.368 1911.4 0.893 10 2.119 0.742 2.798 16.64 100.00 1.463 0.500 medium
T64_P03.M09 0.611 0.542 1.000 0.880 0.538 0.353 1474.4 1.303 16 2.120 0.718 2.287 23.38 100.00 1.535 0.289 medium
T64_P21.M06 0.778 0.696 0.833 0.880 0.583 0.500 1824.9 0.828 17 2.126 0.744 2.534 17.24 100.00 1.735 0.278 medium
T64_P02.M07 0.889 0.429 1.000 0.880 0.455 0.371 1595.8 1.177 5 2.163 0.614 2.199 23.45 100.00 1.151 0.493 medium
T64_P09.M04 0.778 0.650 1.000 0.880 0.538 0.476 1845.2 0.683 19 2.172 0.678 2.055 25.41 100.00 1.378 0.279 medium
T64_P02.M05 0.889 0.619 1.000 0.840 0.571 0.417 1912.3 0.951 7 2.175 0.741 2.473 15.16 100.00 1.507 0.499 medium
T64_P02.M06 0.889 0.610 0.833 0.920 0.615 0.410 1872.8 1.570 8 2.193 0.557 2.488 13.10 100.00 1.333 0.311 medium
T64_P05.M01 0.889 0.652 1.000 0.920 0.571 0.395 1740.5 0.716 9 2.211 0.775 3.040 37.76 100.00 1.637 0.723 medium
T64_P03.M10 0.611 0.633 1.000 0.920 0.538 0.395 1740.3 1.205 15 2.215 0.622 2.068 23.70 100.00 1.626 0.289 medium
T64_P09.M05 0.778 0.658 1.000 0.840 0.571 0.475 1923.0 0.712 19 2.223 0.624 1.710 27.12 100.00 1.260 0.279 medium
T64_P21.M03 0.778 0.720 1.000 0.880 0.571 0.488 1896.0 1.006 24 2.325 0.629 2.453 29.45 100.00 1.819 0.278 medium
T64_P09.M07 0.778 0.682 1.000 0.960 0.571 0.429 1884.1 1.047 20 2.333 0.672 1.983 28.91 100.00 1.440 0.279 medium
T64_P03.M02 0.667 0.556 1.000 0.880 0.500 0.353 1625.3 1.472 16 2.336 0.783 2.025 31.71 100.00 1.566 0.289 medium
T64_P21.M02 0.778 0.682 1.000 0.880 0.571 0.450 1824.8 1.138 19 2.349 0.760 2.582 41.37 100.00 1.731 0.278 medium
T64_P19.M08 0.611 0.796 1.000 0.840 0.571 0.580 2242.1 0.861 22 2.355 0.731 2.651 21.33 100.00 2.024 0.465 medium
T64_P02.M01 0.722 0.667 1.000 0.840 0.571 0.417 1903.0 1.335 10 2.400 0.720 2.727 32.95 100.00 1.152 0.452 medium
T64_P21.M05 0.778 0.641 1.000 0.880 0.571 0.421 1753.7 1.021 24 2.400 0.692 2.471 26.54 100.00 1.894 0.278 medium
T64_P09.M09 0.833 0.681 1.000 0.880 0.571 0.488 2114.9 1.029 18 2.401 0.597 1.661 33.51 100.00 1.398 0.279 medium
T64_P19.M07 0.667 0.739 1.000 0.880 0.571 0.463 2005.7 1.071 18 2.401 0.720 2.718 30.23 100.00 2.063 0.466 medium
T64_P03.M03 0.778 0.462 1.000 0.920 0.500 0.378 1597.4 1.637 21 2.408 0.845 2.010 24.23 100.00 1.484 0.289 medium
T64_P21.M09 0.722 0.629 0.833 0.880 0.500 0.389 1616.5 0.581 13 2.434 0.991 2.666 15.67 100.00 1.978 0.278 medium
T64_P03.M01 0.667 0.625 1.000 0.880 0.500 0.371 1741.8 1.268 22 2.442 0.749 2.324 11.60 100.00 1.938 0.289 medium
T64_P03.M05 0.667 0.500 1.000 0.880 0.538 0.371 1630.6 1.747 17 2.509 0.834 1.935 34.82 100.00 1.307 0.289 medium
T64_P06.M05 0.722 0.581 1.000 0.880 0.500 0.405 1644.7 0.934 6 2.551 0.586 2.944 14.69 100.00 2.006 0.885 medium
T64_P06.M10 0.722 0.639 1.000 0.840 0.455 0.300 1767.1 0.628 11 2.572 0.934 3.082 12.98 100.00 2.196 2.229 medium
T64_P21.M04 0.778 0.650 0.833 0.880 0.546 0.312 1711.7 1.217 19 2.607 0.954 2.550 20.08 100.00 2.013 0.278 medium
T64_P06.M02 0.833 0.615 1.000 0.840 0.500 0.462 1867.9 1.011 13 2.660 0.604 2.526 47.23 100.00 2.095 0.885 medium
T64_P08.M09 0.722 0.649 1.000 1.000 0.571 0.194 1697.1 0.917 6 2.751 0.802 3.038 41.98 100.00 2.109 0.325 medium
T64_P06.M01 0.667 0.667 1.000 0.720 0.500 0.514 1889.2 0.842 8 2.796 0.750 2.940 134.20 100.00 2.260 2.229 medium
T64_P09.M01 0.833 0.643 1.000 0.800 0.571 0.394 1837.4 1.113 22 2.798 0.750 2.174 48.67 100.00 1.557 0.279 medium
T64_P21.M10 0.833 0.643 1.000 0.800 0.571 0.394 1837.4 1.113 22 2.798 0.750 2.174 48.67 100.00 1.557 0.279 medium
T64_P06.M06 0.722 0.649 1.000 0.920 0.538 0.439 1984.8 1.636 12 3.011 0.711 2.983 37.39 100.00 2.143 2.229 medium
T64_P06.M09 0.722 0.629 1.000 0.880 0.500 0.436 1707.1 1.697 12 3.042 0.680 2.234 18.22 100.00 2.022 0.885 medium
T64_P06.M07 0.778 0.658 1.000 0.840 0.571 0.500 2086.5 2.223 15 3.568 0.676 2.388 58.74 100.00 2.067 0.885 medium
T64_P06.M08 0.833 0.651 1.000 0.880 0.500 0.463 2132.9 2.269 12 3.669 0.813 3.050 86.39 100.00 2.322 2.229 medium
T64_P06.M03 0.500 0.780 1.000 0.800 0.571 0.535 1987.4 2.188 7 3.740 0.800 2.744 78.78 100.00 2.021 0.885 medium

High quality predictions 3, remaining -3 predictions

High quality predictions:

((f(nat) >= 0.8) && ((L_rmsd <= 1.0) || (I_rmsdbb <= 0.5)))
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)
capri_64_xray 1.000 0.000 1.000 1.000 0.000 0.000 1016.2 0.000 7 0.000 0.000 0.000 0.00 100.00 0.000 0.000 high
interface 1.000 0.182 1.000 0.920 0.000 0.080 1022.8 0.150 15 0.164 0.148 0.547 0.77 100.00 0.000 0.279 high
unbound 1.000 0.182 1.000 0.920 0.000 0.080 1022.8 0.150 15 0.164 0.148 0.547 0.77 100.00 0.000 0.279 high