Results for CAPRI round 28 target T62

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: 310

Clashes threshold filtering: 40.98
Average: 14.19
StdDev: 13.40
Sequence Identity threshold filtering: 70.0

Eliminated 9, remaining 301 predictions

Removed predictions:

(nclash > 40.98)
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)
T62_P27.M09 0.200 0.895 1.000 0.760 0.538 0.548 1828.6 5.909 49 6.334 2.348 4.400 44.96 100.00 2.023 0.296 clashes,incorrect
T62_P12.M05 0.050 0.980 1.000 0.760 0.571 0.441 1671.3 3.795 112 8.875 3.844 6.513 121.14 100.00 2.690 0.316 clashes,incorrect
T62_P12.M02 0.050 0.958 1.000 0.840 0.500 0.276 1343.4 3.974 53 8.935 3.791 6.034 133.29 100.00 2.997 0.318 clashes,incorrect
T62_P12.M04 0.150 0.950 1.000 0.720 0.571 0.438 1752.9 4.835 171 9.192 3.797 7.677 114.71 100.00 2.630 0.328 clashes,incorrect
T62_P37.M04 0.000 1.000 1.000 0.040 0.538 0.971 1716.5 29.952 41 30.196 11.740 14.724 103.78 100.00 2.355 0.308 clashes,incorrect
T62_P27.M05 0.000 1.000 1.000 0.040 0.571 0.972 1752.3 35.623 45 35.859 13.941 16.940 61.63 100.00 2.115 0.296 clashes,incorrect
T62_P27.M06 0.000 1.000 1.000 0.000 0.571 1.000 1869.5 35.623 53 35.859 13.941 17.000 61.63 100.00 2.115 0.296 clashes,incorrect
T62_P27.M07 0.000 1.000 1.000 0.000 0.571 1.000 1937.3 35.623 66 35.859 13.941 17.019 61.63 100.00 2.115 0.296 clashes,incorrect
T62_P27.M10 0.000 1.000 1.000 0.000 0.571 1.000 1804.8 35.623 47 35.859 13.941 16.940 61.63 100.00 2.115 0.296 clashes,incorrect

Eliminated 0, remaining 301 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 212, remaining 89 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)
T62_P38.M01 0.150 0.850 0.833 0.600 0.583 0.500 1372.3 3.180 6 4.128 1.879 3.932 53.19 100.00 1.223 0.287 incorrect
T62_P49.M05 0.150 0.909 1.000 0.880 0.400 0.353 1659.1 3.094 8 4.322 1.892 5.755 102.83 100.00 2.124 0.650 incorrect
T62_P36.M09 0.150 0.932 0.833 0.880 0.615 0.333 1751.0 2.556 13 4.423 1.973 6.553 97.69 100.00 3.000 0.471 incorrect
T62_P05.M04 0.150 0.917 0.833 0.840 0.615 0.432 1691.7 3.956 13 4.836 1.713 5.041 119.83 100.00 1.519 0.267 incorrect
T62_P05.M09 0.150 0.917 1.000 0.760 0.571 0.424 1668.4 4.786 12 5.377 1.974 3.381 79.71 100.00 1.868 0.268 incorrect
T62_P05.M07 0.150 0.912 1.000 0.800 0.571 0.412 1682.4 4.852 11 5.552 2.079 3.547 50.12 100.00 2.081 0.271 incorrect
T62_P05.M03 0.200 0.897 1.000 0.800 0.500 0.429 1655.6 4.610 13 5.556 2.005 4.612 102.81 100.00 2.289 0.266 incorrect
T62_P05.M05 0.200 0.867 1.000 0.760 0.500 0.441 1537.0 4.581 7 5.651 2.044 4.993 38.56 100.00 2.401 0.271 incorrect
T62_P41.M06 0.250 0.848 1.000 0.760 0.538 0.345 1499.8 4.112 10 5.853 2.026 5.804 120.44 100.00 1.618 0.306 incorrect
T62_P07.M09 0.200 0.809 0.833 0.680 0.546 0.393 1288.9 5.490 17 5.947 2.318 4.369 20.25 100.00 2.051 0.308 incorrect
T62_P30.M06 0.200 0.846 0.667 0.800 0.556 0.231 1374.7 3.589 6 5.979 2.507 5.169 55.97 100.00 2.764 0.296 incorrect
T62_P47.M02 0.200 0.846 0.667 0.800 0.556 0.231 1374.7 3.589 6 5.979 2.507 5.169 55.97 100.00 2.764 0.296 incorrect
T62_P29.M09 0.650 0.755 1.000 0.880 0.571 0.511 2039.5 5.299 18 6.116 2.085 4.149 89.48 100.00 1.947 1.147 incorrect
T62_P27.M02 0.150 0.842 0.833 0.760 0.546 0.367 1405.2 5.536 14 6.125 2.449 5.080 128.96 100.00 1.659 0.296 incorrect
T62_P36.M08 0.150 0.912 0.833 0.760 0.583 0.345 1570.0 5.346 7 6.173 2.727 5.224 107.47 100.00 1.474 0.336 incorrect
T62_P29.M10 0.350 0.883 1.000 0.920 0.571 0.477 2108.6 5.540 23 6.243 2.261 5.206 125.04 100.00 1.712 0.697 incorrect
T62_P49.M06 0.200 0.902 1.000 0.760 0.571 0.457 1904.1 5.907 7 6.679 2.585 4.105 140.10 100.00 1.690 0.642 incorrect
T62_P19.M02 0.200 0.892 1.000 0.720 0.538 0.500 1792.3 6.293 9 6.759 2.862 4.574 116.78 100.00 1.398 0.575 incorrect
T62_P12.M03 0.050 0.963 1.000 0.600 0.538 0.211 960.1 3.471 25 8.436 3.770 7.055 127.17 100.00 3.099 0.311 incorrect
T62_P41.M05 0.000 1.000 0.667 0.880 0.600 0.312 1342.7 3.832 7 8.455 3.863 6.767 179.59 100.00 2.364 0.292 incorrect
T62_P12.M01 0.050 0.963 0.833 0.720 0.546 0.143 1165.0 2.985 30 8.480 3.748 5.998 132.92 100.00 3.044 0.310 incorrect
T62_P13.M05 0.000 1.000 0.833 0.720 0.500 0.308 1249.5 7.358 13 8.535 3.634 6.997 64.00 100.00 2.926 0.774 incorrect
T62_P41.M08 0.000 1.000 1.000 0.640 0.455 0.385 1203.8 5.755 9 8.666 4.022 7.227 117.61 100.00 3.146 0.291 incorrect
T62_P41.M09 0.050 0.947 1.000 0.720 0.455 0.308 1243.6 5.275 6 8.690 3.872 7.004 143.67 100.00 2.283 0.291 incorrect
T62_P34.M05 0.050 0.965 1.000 0.680 0.571 0.500 1688.6 8.359 17 9.193 3.537 5.444 160.50 100.00 1.864 0.317 incorrect
T62_P34.M04 0.000 1.000 1.000 0.680 0.571 0.514 1683.4 8.389 10 9.210 3.526 5.636 159.05 100.00 1.879 0.319 incorrect
T62_P41.M07 0.000 1.000 0.833 0.600 0.583 0.400 1321.7 5.926 7 9.212 4.186 7.495 159.97 100.00 3.082 0.292 incorrect
T62_P34.M07 0.050 0.963 1.000 0.640 0.571 0.500 1665.6 8.429 14 9.267 3.537 5.544 157.05 100.00 1.859 0.315 incorrect
T62_P34.M08 0.000 1.000 0.833 0.600 0.615 0.595 1684.2 8.416 9 9.274 3.537 5.610 154.79 100.00 1.867 0.318 incorrect
T62_P34.M01 0.000 1.000 1.000 0.720 0.571 0.500 1625.8 8.469 13 9.280 3.563 5.400 159.55 100.00 1.863 0.320 incorrect
T62_P34.M06 0.050 0.972 1.000 0.680 0.571 0.553 1775.2 8.488 17 9.301 3.566 5.508 159.36 100.00 1.866 0.316 incorrect
T62_P34.M10 0.100 0.936 1.000 0.680 0.571 0.514 1724.1 8.520 10 9.333 3.565 5.277 158.78 100.00 1.860 0.316 incorrect
T62_P34.M02 0.050 0.968 0.833 0.640 0.615 0.556 1716.4 8.504 10 9.337 3.561 5.543 158.97 100.00 1.868 0.318 incorrect
T62_P34.M03 0.000 1.000 1.000 0.640 0.571 0.515 1603.8 8.525 8 9.361 3.570 5.539 158.50 100.00 1.869 0.314 incorrect
T62_P34.M09 0.000 1.000 0.833 0.640 0.615 0.529 1655.3 8.519 16 9.371 3.585 5.610 157.87 100.00 1.883 0.313 incorrect
T62_P47.M05 0.000 1.000 0.833 0.600 0.583 0.348 1313.4 7.875 8 9.663 4.157 7.061 99.21 100.00 2.746 0.291 incorrect
T62_P29.M05 0.200 0.936 1.000 0.920 0.571 0.489 2255.5 5.181 13 11.545 5.228 7.997 159.27 100.00 1.749 1.792 incorrect
T62_P35.M10 0.050 0.981 1.000 0.840 0.571 0.543 2134.1 11.272 19 11.558 4.552 6.260 20.85 100.00 1.768 1.311 incorrect
T62_P29.M06 0.050 0.982 1.000 0.840 0.571 0.562 2172.9 11.504 17 11.810 4.622 6.410 24.36 100.00 1.710 1.304 incorrect
T62_P37.M07 0.050 0.954 0.833 0.760 0.500 0.345 1466.7 10.870 20 11.825 4.545 7.138 145.08 100.00 2.331 0.308 incorrect
T62_P35.M09 0.200 0.933 1.000 0.840 0.571 0.571 2326.4 5.891 17 12.006 5.363 8.369 159.16 100.00 1.783 1.257 incorrect
T62_P38.M03 0.100 0.913 1.000 0.760 0.500 0.345 1387.1 6.207 3 12.059 4.694 9.096 176.81 100.00 1.264 0.280 incorrect
T62_P47.M08 0.100 0.920 0.833 0.840 0.615 0.250 1486.0 8.464 7 12.103 4.500 8.453 125.95 100.00 1.299 0.299 incorrect
T62_P47.M09 0.050 0.958 0.833 0.560 0.615 0.440 1237.8 11.410 7 12.113 4.433 6.982 83.87 100.00 1.332 0.292 incorrect
T62_P35.M02 0.000 1.000 1.000 0.840 0.571 0.562 2312.7 13.887 15 14.302 5.159 7.234 153.32 100.00 1.926 1.145 incorrect
T62_P35.M01 0.000 1.000 1.000 0.840 0.571 0.562 2345.6 13.939 19 14.366 5.224 7.169 158.85 100.00 1.929 1.134 incorrect
T62_P35.M04 0.000 1.000 1.000 0.840 0.571 0.571 2405.1 14.002 18 14.456 5.249 7.131 156.55 100.00 1.991 1.172 incorrect
T62_P29.M03 0.000 1.000 1.000 0.840 0.571 0.588 2465.6 14.153 18 14.571 5.218 7.265 149.67 100.00 2.046 1.130 incorrect
T62_P35.M03 0.000 1.000 1.000 0.840 0.571 0.588 2385.6 14.155 18 14.580 5.267 7.276 156.06 100.00 2.007 1.175 incorrect
T62_P29.M04 0.000 1.000 1.000 0.760 0.571 0.648 2354.0 14.822 21 15.246 5.806 8.391 159.01 100.00 2.002 2.340 incorrect
T62_P43.M04 0.050 0.980 1.000 0.240 0.571 0.842 2210.1 14.945 17 16.251 7.358 9.737 81.08 100.00 2.179 2.338 incorrect
T62_P43.M01 0.050 0.980 1.000 0.240 0.571 0.854 2240.2 15.048 13 16.392 7.400 9.674 80.78 100.00 2.208 2.317 incorrect
T62_P29.M07 0.150 0.949 1.000 0.800 0.538 0.574 2239.1 12.954 22 16.811 7.550 11.129 159.28 100.00 2.040 1.825 incorrect
T62_P35.M07 0.150 0.954 1.000 0.760 0.571 0.627 2507.4 13.450 18 17.032 7.715 10.194 172.27 100.00 2.019 1.529 incorrect
T62_P23.M04 0.200 0.911 1.000 0.560 0.571 0.674 1963.3 13.837 2 17.042 7.687 10.019 172.26 100.00 2.178 0.318 incorrect
T62_P35.M08 0.150 0.952 1.000 0.800 0.571 0.615 2470.0 13.594 17 17.199 7.818 10.275 169.78 100.00 2.051 1.515 incorrect
T62_P29.M02 0.000 1.000 1.000 0.800 0.571 0.600 2440.0 17.142 22 17.342 6.803 9.339 178.17 100.00 2.220 1.312 incorrect
T62_P29.M01 0.000 1.000 1.000 0.760 0.571 0.620 2428.3 17.175 23 17.417 6.668 9.042 151.89 100.00 1.890 0.827 incorrect
T62_P43.M05 0.050 0.980 1.000 0.240 0.571 0.850 2205.5 16.328 10 17.606 7.922 9.891 80.12 100.00 1.846 3.565 incorrect
T62_P23.M05 0.000 1.000 0.833 0.560 0.615 0.588 1385.8 17.542 12 18.053 6.869 9.371 93.70 100.00 2.061 0.329 incorrect
T62_P38.M04 0.050 0.965 1.000 0.680 0.500 0.514 1580.7 14.835 5 18.076 6.595 10.767 177.28 100.00 1.218 0.290 incorrect
T62_P37.M08 0.000 1.000 1.000 0.400 0.538 0.697 1484.0 17.821 11 18.235 7.011 9.529 78.83 100.00 2.094 0.308 incorrect
T62_P43.M07 0.000 1.000 1.000 0.120 0.571 0.906 1570.2 17.368 13 18.537 7.835 10.122 70.60 100.00 2.163 1.394 incorrect
T62_P43.M03 0.000 1.000 1.000 0.160 0.500 0.833 1505.9 17.257 8 18.549 8.495 10.395 76.58 100.00 1.842 2.936 incorrect
T62_P43.M08 0.000 1.000 1.000 0.200 0.455 0.792 1363.4 18.093 10 19.086 8.667 10.482 78.45 100.00 1.686 2.525 incorrect
T62_P35.M06 0.100 0.954 1.000 0.560 0.571 0.708 2244.3 16.410 12 19.464 8.935 12.243 164.93 100.00 1.798 1.242 incorrect
T62_P29.M08 0.100 0.961 1.000 0.520 0.538 0.711 2228.3 16.488 15 19.593 9.018 12.469 166.67 100.00 2.031 1.260 incorrect
T62_P35.M05 0.100 0.954 1.000 0.520 0.571 0.711 2122.3 16.595 14 19.656 9.038 12.320 161.99 100.00 1.864 1.223 incorrect
T62_P16.M09 0.050 0.947 0.667 0.320 0.667 0.667 1240.7 18.906 7 20.132 8.546 11.472 107.73 100.00 3.224 2.387 incorrect
T62_P16.M10 0.100 0.917 0.833 0.360 0.583 0.654 1340.5 19.056 9 20.233 8.147 10.585 121.35 100.00 3.386 0.999 incorrect
T62_P37.M09 0.000 1.000 1.000 0.280 0.538 0.806 1554.3 19.955 12 20.291 8.001 10.288 95.46 100.00 2.096 0.308 incorrect
T62_P16.M06 0.100 0.923 0.833 0.360 0.583 0.690 1471.4 19.319 11 20.394 8.145 10.579 99.91 100.00 3.289 1.154 incorrect
T62_P16.M07 0.000 1.000 0.833 0.320 0.583 0.692 1452.2 19.450 7 20.529 7.862 10.184 90.82 100.00 2.812 1.468 incorrect
T62_P42.M02 0.050 0.969 1.000 0.200 0.571 0.821 1413.0 18.630 14 20.987 9.386 12.657 148.60 100.00 0.913 0.308 incorrect
T62_P30.M10 0.000 1.000 1.000 0.320 0.538 0.714 1491.6 19.302 9 21.050 9.125 12.344 130.29 100.00 2.076 0.295 incorrect
T62_P47.M04 0.000 1.000 1.000 0.320 0.538 0.714 1491.6 19.302 9 21.050 9.125 12.344 130.29 100.00 2.076 0.295 incorrect
T62_P16.M08 0.100 0.917 0.833 0.320 0.583 0.652 1432.1 20.554 10 21.560 7.947 10.269 88.93 100.00 2.542 1.541 incorrect
T62_P43.M10 0.050 0.962 1.000 0.080 0.455 0.923 1227.1 21.013 8 22.563 10.554 14.357 101.63 100.00 1.783 3.395 incorrect
T62_P44.M06 0.050 0.977 0.833 0.280 0.615 0.788 1844.8 20.911 20 22.705 9.930 13.442 139.52 100.00 0.997 0.385 incorrect
T62_P43.M02 0.050 0.969 0.833 0.320 0.615 0.771 1767.2 21.767 8 24.118 10.663 12.627 171.94 100.00 2.051 3.791 incorrect
T62_P23.M02 0.000 1.000 1.000 0.400 0.571 0.778 2247.7 24.093 2 24.178 9.466 11.488 42.71 100.00 1.475 2.738 incorrect
T62_P18.M04 0.000 1.000 0.833 0.040 0.615 0.967 1735.9 23.184 16 24.250 9.991 13.759 143.27 100.00 3.290 0.549 incorrect
T62_P23.M03 0.000 1.000 0.833 0.400 0.615 0.778 2113.5 23.951 4 24.319 9.385 12.670 168.04 100.00 1.644 0.330 incorrect
T62_P18.M09 0.000 1.000 1.000 0.200 0.538 0.821 1727.9 23.028 19 24.503 9.547 12.383 162.20 100.00 3.316 0.545 incorrect
T62_P23.M01 0.000 1.000 1.000 0.320 0.571 0.822 1903.2 24.459 4 24.776 9.403 12.210 45.96 100.00 2.100 0.353 incorrect
T62_P37.M10 0.000 1.000 1.000 0.120 0.538 0.903 1524.4 24.638 30 24.963 9.823 12.280 97.28 100.00 1.962 0.308 incorrect
T62_P43.M06 0.100 0.931 0.833 0.280 0.583 0.731 1362.6 22.757 12 24.996 12.313 15.436 171.14 100.00 2.206 4.492 incorrect
T62_P13.M04 0.000 1.000 1.000 0.120 0.333 0.824 901.8 24.183 7 25.407 10.604 14.764 160.36 100.00 3.170 0.781 incorrect
T62_P41.M10 0.000 1.000 1.000 0.000 0.455 1.000 1230.4 24.865 4 25.764 10.244 12.875 86.36 100.00 1.664 0.311 incorrect
T62_P41.M03 0.000 1.000 1.000 0.000 0.500 1.000 1595.6 25.149 10 25.813 10.242 12.871 77.39 100.00 1.523 0.311 incorrect
T62_P13.M01 0.000 1.000 0.667 0.000 0.636 1.000 1327.8 24.701 13 26.172 10.999 14.119 166.09 100.00 3.098 0.761 incorrect
T62_P43.M09 0.050 0.964 0.833 0.240 0.615 0.812 1618.5 24.515 8 26.686 12.000 14.684 176.98 100.00 2.180 4.617 incorrect
T62_P15.M06 0.000 1.000 1.000 0.320 0.538 0.814 1897.0 24.878 14 26.694 11.682 14.902 138.30 100.00 1.854 0.368 incorrect
T62_P18.M07 0.000 1.000 0.833 0.000 0.583 1.000 1556.8 25.726 22 26.771 11.465 14.838 127.41 100.00 3.350 0.484 incorrect
T62_P30.M08 0.000 1.000 0.833 0.000 0.615 1.000 1458.2 26.578 8 26.952 10.918 14.102 135.30 100.00 2.087 0.302 incorrect
T62_P47.M03 0.000 1.000 0.833 0.000 0.615 1.000 1458.2 26.578 8 26.952 10.918 14.102 135.30 100.00 2.087 0.302 incorrect
T62_P42.M05 0.000 1.000 0.833 0.120 0.546 0.880 1263.3 26.717 8 27.464 11.420 13.736 94.43 100.00 3.269 0.308 incorrect
T62_P13.M09 0.000 1.000 1.000 0.000 0.455 1.000 1488.9 26.552 13 27.684 11.237 14.983 125.76 100.00 2.533 0.810 incorrect
T62_P18.M08 0.000 1.000 0.833 0.000 0.583 1.000 1333.9 27.738 8 28.124 10.592 13.647 47.73 100.00 3.399 0.534 incorrect
T62_P30.M05 0.000 1.000 1.000 0.000 0.500 1.000 1458.7 26.513 4 28.163 11.489 14.379 149.15 100.00 1.353 0.295 incorrect
T62_P47.M07 0.000 1.000 1.000 0.000 0.500 1.000 1458.7 26.513 4 28.163 11.489 14.379 149.15 100.00 1.353 0.295 incorrect
T62_P47.M06 0.000 1.000 1.000 0.000 0.500 1.000 1486.4 26.523 6 28.171 11.479 14.276 145.45 100.00 1.329 0.295 incorrect
T62_P27.M01 0.000 1.000 1.000 0.000 0.538 1.000 1702.0 28.479 18 28.668 11.184 14.393 129.63 100.00 2.230 0.296 incorrect
T62_P16.M01 0.000 1.000 1.000 0.120 0.538 0.893 1457.0 28.294 9 28.908 11.070 13.780 89.29 100.00 2.156 1.218 incorrect
T62_P19.M07 0.000 1.000 1.000 0.080 0.571 0.943 1753.9 27.548 5 29.022 12.613 16.318 137.29 100.00 1.719 0.303 incorrect
T62_P16.M05 0.000 1.000 1.000 0.120 0.538 0.903 1477.8 28.581 10 29.209 11.092 13.959 121.09 100.00 2.176 1.369 incorrect
T62_P18.M05 0.000 1.000 1.000 0.000 0.571 1.000 1654.9 28.198 17 29.375 12.377 15.341 171.75 100.00 3.115 0.487 incorrect
T62_P13.M10 0.000 1.000 1.000 0.000 0.455 1.000 1059.1 29.215 9 29.422 11.228 13.134 62.43 100.00 2.504 0.854 incorrect
T62_P16.M04 0.000 1.000 1.000 0.120 0.500 0.897 1369.4 28.869 10 29.458 11.535 14.381 132.66 100.00 1.957 1.277 incorrect
T62_P49.M09 0.000 1.000 1.000 0.160 0.538 0.895 1972.2 29.244 8 29.520 11.508 14.365 119.72 100.00 2.034 0.683 incorrect
T62_P16.M02 0.000 1.000 1.000 0.080 0.538 0.931 1326.5 29.042 11 29.607 11.649 14.513 132.48 100.00 1.838 1.386 incorrect
T62_P19.M10 0.000 1.000 1.000 0.120 0.571 0.914 1664.5 28.316 6 29.785 12.958 16.663 132.61 100.00 1.735 0.283 incorrect
T62_P23.M06 0.000 1.000 1.000 0.000 0.571 1.000 1682.4 29.701 11 29.887 11.619 13.831 128.00 100.00 2.208 0.318 incorrect
T62_P16.M03 0.000 1.000 0.833 0.120 0.615 0.893 1353.7 29.419 11 29.935 11.865 14.668 127.43 100.00 2.280 1.372 incorrect
T62_P19.M08 0.000 1.000 1.000 0.080 0.571 0.941 1572.8 29.076 6 30.432 13.220 16.975 131.11 100.00 1.750 0.310 incorrect
T62_P37.M05 0.000 1.000 1.000 0.000 0.571 1.000 1872.8 30.243 27 30.454 11.863 14.738 120.57 100.00 2.370 0.308 incorrect
T62_P30.M02 0.000 1.000 0.833 0.000 0.500 1.000 1201.6 30.003 8 30.479 12.249 15.549 66.95 100.00 2.685 0.290 incorrect
T62_P18.M03 0.000 1.000 0.833 0.000 0.615 1.000 1635.0 30.704 27 30.879 12.332 14.393 102.99 100.00 3.481 0.524 incorrect
T62_P44.M07 0.000 1.000 1.000 0.040 0.571 0.971 1910.8 29.589 20 31.111 13.225 16.755 177.63 100.00 1.461 0.385 incorrect
T62_P27.M04 0.000 1.000 1.000 0.000 0.500 1.000 1618.2 31.023 13 31.261 12.242 14.645 130.24 100.00 1.469 0.296 incorrect
T62_P36.M02 0.000 1.000 1.000 0.000 0.538 1.000 1737.4 31.371 15 31.571 12.408 14.911 105.35 100.00 1.526 0.448 incorrect
T62_P36.M06 0.000 1.000 1.000 0.000 0.538 1.000 1911.0 31.449 16 31.648 12.429 14.922 102.17 100.00 1.563 0.451 incorrect
T62_P18.M06 0.000 1.000 0.833 0.000 0.615 1.000 1607.3 31.532 20 31.675 12.644 14.672 19.84 100.00 3.395 0.550 incorrect
T62_P44.M04 0.000 1.000 1.000 0.160 0.571 0.892 1894.5 31.258 18 31.736 12.359 14.996 171.23 100.00 1.614 0.385 incorrect
T62_P44.M02 0.000 1.000 0.667 0.000 0.556 1.000 1179.3 31.663 7 32.168 11.563 13.302 156.61 100.00 1.565 0.385 incorrect
T62_P42.M09 0.000 1.000 1.000 0.080 0.538 0.929 1421.8 31.883 9 32.217 12.360 15.538 58.58 100.00 1.054 0.308 incorrect
T62_P44.M09 0.000 1.000 1.000 0.000 0.571 1.000 1602.9 31.907 23 32.223 12.778 15.989 49.13 100.00 1.856 0.385 incorrect
T62_P46.M08 0.000 1.000 1.000 0.000 0.500 1.000 1532.2 32.126 12 32.337 12.661 14.807 113.78 100.00 1.458 0.239 incorrect
T62_P46.M04 0.000 1.000 1.000 0.000 0.538 1.000 1741.2 32.183 11 32.374 12.703 15.138 107.84 100.00 1.383 0.308 incorrect
T62_P46.M05 0.000 1.000 1.000 0.000 0.500 1.000 1584.4 32.175 11 32.385 12.689 14.820 114.55 100.00 1.431 0.211 incorrect
T62_P15.M09 0.000 1.000 1.000 0.160 0.538 0.907 2102.5 32.157 22 32.393 12.645 14.975 117.70 100.00 1.580 0.365 incorrect
T62_P46.M02 0.000 1.000 1.000 0.000 0.538 1.000 1918.7 32.179 10 32.396 12.666 15.066 125.85 100.00 1.516 0.308 incorrect
T62_P46.M01 0.000 1.000 1.000 0.000 0.571 1.000 1891.6 32.190 14 32.401 12.673 14.996 125.11 100.00 1.474 0.308 incorrect
T62_P46.M09 0.000 1.000 1.000 0.000 0.500 1.000 1581.9 32.199 12 32.416 12.675 14.866 113.80 100.00 1.512 0.239 incorrect
T62_P46.M07 0.000 1.000 1.000 0.000 0.500 1.000 1629.4 32.193 12 32.417 12.698 14.913 120.93 100.00 1.470 0.308 incorrect
T62_P46.M03 0.000 1.000 1.000 0.000 0.571 1.000 1772.0 32.205 10 32.421 12.705 15.188 122.64 100.00 1.434 0.308 incorrect
T62_P40.M01 0.000 1.000 1.000 0.000 0.571 1.000 2099.3 32.244 17 32.435 12.752 15.378 109.07 100.00 1.205 0.373 incorrect
T62_P40.M06 0.000 1.000 1.000 0.000 0.571 1.000 2103.4 32.237 22 32.438 12.744 15.279 112.19 100.00 1.211 0.373 incorrect
T62_P40.M02 0.000 1.000 1.000 0.000 0.571 1.000 2244.4 32.268 17 32.470 12.759 15.124 113.33 100.00 1.205 0.373 incorrect
T62_P36.M07 0.000 1.000 1.000 0.160 0.571 0.892 1888.2 32.216 16 32.473 12.622 15.222 122.48 100.00 1.838 0.448 incorrect
T62_P46.M06 0.000 1.000 1.000 0.000 0.538 1.000 1528.8 32.256 11 32.475 12.685 14.827 123.10 100.00 1.562 0.239 incorrect
T62_P46.M10 0.000 1.000 1.000 0.000 0.455 1.000 1453.4 32.253 12 32.478 12.681 14.992 121.34 100.00 1.589 0.239 incorrect
T62_P17.M09 0.000 1.000 1.000 0.040 0.571 0.978 2104.0 32.276 21 32.488 12.700 14.846 119.16 97.89 1.536 0.310 incorrect
T62_P40.M04 0.000 1.000 1.000 0.000 0.571 1.000 2013.5 32.312 15 32.508 12.775 15.384 111.97 100.00 1.222 0.373 incorrect
T62_P40.M03 0.000 1.000 1.000 0.000 0.571 1.000 2214.2 32.345 19 32.521 12.768 15.142 98.82 100.00 1.372 0.373 incorrect
T62_P40.M07 0.000 1.000 1.000 0.000 0.571 1.000 2180.2 32.335 18 32.525 12.776 15.153 110.38 100.00 1.281 0.373 incorrect
T62_P18.M02 0.000 1.000 1.000 0.000 0.571 1.000 1553.4 32.340 11 32.546 12.701 15.497 176.91 100.00 3.213 0.504 incorrect
T62_P40.M05 0.000 1.000 1.000 0.000 0.571 1.000 2201.8 32.394 17 32.581 12.785 15.319 103.15 100.00 1.359 0.373 incorrect
T62_P40.M08 0.000 1.000 1.000 0.000 0.571 1.000 2035.1 32.413 17 32.593 12.761 15.262 100.59 100.00 1.529 0.373 incorrect
T62_P17.M10 0.000 1.000 1.000 0.040 0.571 0.979 2120.3 32.409 16 32.619 12.715 14.803 118.98 97.89 1.544 0.328 incorrect
T62_P15.M10 0.000 1.000 1.000 0.120 0.571 0.933 1998.1 32.447 16 32.681 12.780 15.275 113.71 100.00 1.409 0.373 incorrect
T62_P17.M07 0.000 1.000 1.000 0.040 0.571 0.978 2031.2 32.483 22 32.693 12.767 14.832 117.57 97.89 1.538 0.342 incorrect
T62_P36.M10 0.000 1.000 1.000 0.160 0.571 0.895 2022.8 32.438 21 32.693 12.695 14.915 132.32 100.00 1.901 0.335 incorrect
T62_P49.M04 0.000 1.000 1.000 0.200 0.571 0.868 1800.2 32.472 5 32.706 12.673 15.411 149.77 100.00 2.060 0.659 incorrect
T62_P13.M08 0.000 1.000 0.833 0.000 0.546 1.000 1152.6 32.638 9 32.709 12.879 14.765 8.84 100.00 2.180 0.851 incorrect
T62_P36.M01 0.000 1.000 1.000 0.120 0.571 0.927 2064.3 32.474 17 32.714 12.750 15.050 123.09 100.00 1.846 0.314 incorrect
T62_P17.M02 0.000 1.000 1.000 0.040 0.571 0.978 1979.9 32.577 19 32.792 12.855 14.884 118.82 97.89 1.534 0.361 incorrect
T62_P38.M09 0.000 1.000 0.833 0.000 0.546 1.000 1121.0 32.183 3 32.889 12.950 14.968 95.12 100.00 1.248 0.282 incorrect
T62_P37.M01 0.000 1.000 1.000 0.040 0.571 0.971 1682.8 32.601 16 32.897 12.806 15.008 118.71 100.00 1.833 0.308 incorrect
T62_P30.M01 0.000 1.000 0.833 0.000 0.615 1.000 1623.7 31.750 8 32.925 13.569 16.820 177.36 100.00 2.710 0.295 incorrect
T62_P42.M08 0.000 1.000 1.000 0.080 0.538 0.929 1764.3 32.652 15 32.947 12.723 15.889 106.53 100.00 1.093 0.308 incorrect
T62_P19.M03 0.000 1.000 1.000 0.120 0.500 0.925 1896.2 32.761 11 32.956 12.914 15.140 124.21 99.77 1.717 0.552 incorrect
T62_P42.M03 0.000 1.000 0.833 0.080 0.583 0.936 1421.4 32.659 7 32.966 12.743 15.357 70.53 100.00 2.068 0.308 incorrect
T62_P17.M08 0.000 1.000 1.000 0.040 0.571 0.979 2110.5 32.802 20 33.011 12.935 14.967 118.29 97.89 1.546 0.486 incorrect
T62_P41.M04 0.000 1.000 1.000 0.000 0.500 1.000 1646.8 32.083 8 33.085 13.307 16.731 119.93 100.00 1.382 0.295 incorrect
T62_P13.M06 0.000 1.000 1.000 0.000 0.455 1.000 1236.5 33.127 9 33.350 12.957 16.360 99.49 100.00 3.000 0.791 incorrect
T62_P42.M01 0.000 1.000 0.667 0.000 0.600 1.000 970.3 33.364 8 33.669 13.277 15.902 129.54 100.00 2.351 0.308 incorrect
T62_P30.M09 0.000 1.000 0.833 0.000 0.615 1.000 1401.9 33.094 8 34.003 14.307 18.826 177.39 100.00 2.016 0.298 incorrect
T62_P13.M02 0.000 1.000 1.000 0.000 0.500 1.000 1141.8 33.806 7 34.056 13.524 16.349 121.00 100.00 3.032 0.729 incorrect
T62_P15.M05 0.000 1.000 1.000 0.240 0.571 0.850 1890.2 33.834 10 34.095 13.200 15.656 66.79 100.00 1.999 0.366 incorrect
T62_P47.M10 0.000 1.000 0.833 0.000 0.615 1.000 1364.2 32.923 1 34.353 13.852 16.178 150.60 100.00 1.374 0.302 incorrect
T62_P42.M04 0.000 1.000 1.000 0.000 0.538 1.000 1586.9 34.054 9 34.370 13.369 16.528 118.29 100.00 1.493 0.308 incorrect
T62_P49.M08 0.000 1.000 1.000 0.080 0.500 0.947 1850.9 33.896 6 34.370 13.583 16.307 171.97 100.00 1.801 0.718 incorrect
T62_P42.M10 0.000 1.000 1.000 0.000 0.571 1.000 1807.5 34.194 11 34.428 13.648 15.816 179.37 100.00 1.800 0.308 incorrect
T62_P42.M07 0.000 1.000 0.833 0.000 0.615 1.000 1454.6 34.021 12 34.431 13.259 16.253 83.83 100.00 1.984 0.308 incorrect
T62_P19.M04 0.000 1.000 1.000 0.040 0.538 0.973 1847.9 34.713 10 34.965 13.833 16.062 160.31 100.00 1.807 0.507 incorrect
T62_P12.M10 0.000 1.000 1.000 0.000 0.400 1.000 1531.4 34.739 15 34.999 13.813 16.720 159.35 100.00 1.954 0.307 incorrect
T62_P12.M06 0.000 1.000 1.000 0.040 0.455 0.970 1524.5 34.730 39 35.012 13.838 16.729 160.12 100.00 1.966 0.309 incorrect
T62_P23.M08 0.000 1.000 1.000 0.000 0.538 1.000 1387.9 34.783 10 35.027 13.817 16.240 163.54 100.00 1.811 0.332 incorrect
T62_P12.M08 0.000 1.000 1.000 0.040 0.455 0.968 1546.5 34.781 21 35.073 13.852 16.842 156.96 100.00 1.983 0.309 incorrect
T62_P13.M03 0.000 1.000 1.000 0.000 0.400 1.000 1005.8 34.225 9 35.115 13.331 17.146 153.27 100.00 3.073 0.786 incorrect
T62_P12.M09 0.000 1.000 1.000 0.040 0.455 0.971 1500.1 34.843 16 35.128 13.888 16.786 160.73 100.00 1.956 0.308 incorrect
T62_P12.M07 0.000 1.000 1.000 0.040 0.455 0.969 1603.8 34.869 28 35.132 13.884 16.891 156.19 100.00 1.972 0.309 incorrect
T62_P23.M10 0.000 1.000 1.000 0.040 0.500 0.974 1665.4 34.943 3 35.163 13.841 15.884 156.92 100.00 2.141 0.324 incorrect
T62_P15.M01 0.000 1.000 1.000 0.080 0.571 0.949 1899.4 34.999 16 35.262 13.828 16.164 142.53 100.00 1.815 0.370 incorrect
T62_P30.M07 0.000 1.000 1.000 0.000 0.455 1.000 1589.6 34.858 7 35.276 14.088 17.800 177.16 100.00 2.756 0.307 incorrect
T62_P44.M05 0.000 1.000 0.833 0.000 0.375 1.000 1084.1 34.384 22 35.291 13.562 16.412 176.15 100.00 1.321 0.385 incorrect
T62_P15.M02 0.000 1.000 1.000 0.000 0.571 1.000 1852.3 35.169 13 35.450 13.936 16.583 166.90 100.00 1.893 0.371 incorrect
T62_P41.M02 0.000 1.000 1.000 0.000 0.538 1.000 1561.3 35.279 12 35.452 13.828 15.734 34.70 100.00 1.972 0.299 incorrect
T62_P15.M03 0.000 1.000 1.000 0.080 0.571 0.952 2122.0 35.397 17 35.678 13.977 16.682 139.00 100.00 1.791 0.369 incorrect
T62_P30.M03 0.000 1.000 0.833 0.000 0.615 1.000 1239.8 34.815 5 35.735 14.955 19.324 179.76 100.00 2.061 0.303 incorrect
T62_P42.M06 0.000 1.000 1.000 0.040 0.538 0.972 1829.4 35.471 9 35.837 13.738 16.407 53.95 100.00 2.149 0.308 incorrect
T62_P19.M09 0.000 1.000 1.000 0.000 0.538 1.000 1418.0 35.618 2 35.950 14.416 18.379 154.97 100.00 2.508 0.295 incorrect
T62_P44.M10 0.000 1.000 0.833 0.000 0.500 1.000 1272.1 35.856 18 36.436 13.869 17.601 95.36 100.00 1.517 0.385 incorrect
T62_P19.M06 0.000 1.000 1.000 0.000 0.538 1.000 1523.1 36.553 4 36.669 14.336 16.804 31.45 100.00 1.669 0.291 incorrect
T62_P30.M04 0.000 1.000 0.833 0.000 0.583 1.000 1440.3 35.706 7 36.780 15.544 19.281 119.18 100.00 2.123 0.295 incorrect
T62_P47.M01 0.000 1.000 0.833 0.000 0.583 1.000 1440.3 35.706 7 36.780 15.544 19.281 119.18 100.00 2.123 0.295 incorrect
T62_P15.M08 0.000 1.000 1.000 0.000 0.571 1.000 1936.4 37.268 10 37.616 14.874 17.917 164.69 100.00 1.459 0.373 incorrect
T62_P19.M05 0.000 1.000 1.000 0.000 0.455 1.000 1589.0 37.614 8 37.970 15.012 17.987 177.27 99.77 1.444 0.537 incorrect
T62_P15.M07 0.000 1.000 1.000 0.000 0.500 1.000 1532.1 37.642 17 37.999 14.905 18.142 170.04 100.00 1.585 0.374 incorrect
T62_P15.M04 0.000 1.000 0.833 0.080 0.615 0.936 1458.0 36.808 9 38.205 16.163 19.214 166.26 100.00 1.818 0.381 incorrect
T62_P38.M07 0.000 1.000 1.000 0.000 0.571 1.000 1326.2 38.365 2 38.538 14.903 17.685 88.18 100.00 1.292 0.286 incorrect
T62_P49.M10 0.000 1.000 1.000 0.000 0.538 1.000 1736.4 38.135 4 38.576 15.138 17.962 156.78 100.00 2.194 0.723 incorrect
T62_P41.M01 0.000 1.000 0.833 0.000 0.615 1.000 1466.4 38.134 11 38.757 15.700 20.130 116.10 100.00 3.083 0.302 incorrect
T62_P44.M03 0.000 1.000 1.000 0.000 0.571 1.000 1815.6 37.558 14 38.768 16.313 20.127 137.76 100.00 1.815 0.385 incorrect
T62_P37.M02 0.000 1.000 1.000 0.000 0.571 1.000 1620.4 38.889 17 39.170 15.260 18.277 140.73 100.00 2.086 0.308 incorrect
T62_P37.M06 0.000 1.000 1.000 0.000 0.571 1.000 1679.8 39.190 15 39.480 15.358 18.222 130.87 100.00 1.995 0.308 incorrect
T62_P38.M05 0.000 1.000 0.667 0.000 0.429 1.000 941.9 39.215 2 39.698 16.190 19.914 116.72 100.00 1.237 0.280 incorrect
T62_P44.M08 0.000 1.000 1.000 0.000 0.500 1.000 1488.8 39.681 17 40.113 15.530 18.395 118.63 100.00 2.123 0.385 incorrect
T62_P13.M07 0.000 1.000 0.833 0.000 0.500 1.000 964.1 39.547 10 40.400 16.075 19.956 173.69 100.00 2.612 0.789 incorrect
T62_P37.M03 0.000 1.000 1.000 0.000 0.571 1.000 1568.6 42.171 14 42.373 16.503 19.701 61.25 100.00 1.788 0.308 incorrect
T62_P18.M10 0.000 1.000 1.000 0.000 0.538 1.000 1196.5 43.809 17 43.971 18.127 21.621 152.91 100.00 1.681 0.486 incorrect

Acceptable predictions 26, remaining 63 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)
T62_P27.M03 0.450 0.550 1.000 0.960 0.400 0.250 1344.9 0.420 12 1.743 0.661 2.508 27.13 100.00 1.383 0.296 acceptable
T62_P27.M08 0.450 0.654 1.000 0.920 0.455 0.378 1605.2 0.613 30 2.063 0.661 2.339 41.59 100.00 1.467 0.296 acceptable
T62_P01.M04 0.700 0.641 1.000 0.840 0.500 0.344 1593.9 1.537 12 2.521 1.001 3.879 38.74 100.00 1.682 0.306 acceptable
T62_P07.M02 0.550 0.676 1.000 0.800 0.571 0.375 1760.2 1.605 8 2.655 1.105 2.894 20.76 100.00 1.471 0.308 acceptable
T62_P49.M07 0.700 0.611 1.000 0.880 0.500 0.389 1643.3 2.080 6 2.869 1.367 2.335 12.11 100.00 1.929 0.678 acceptable
T62_P07.M06 0.700 0.562 0.833 0.720 0.615 0.357 1522.4 2.458 7 3.086 1.113 2.722 41.79 100.00 1.396 0.308 acceptable
T62_P38.M06 0.350 0.696 0.667 0.720 0.429 0.250 1117.7 2.366 4 3.142 1.232 3.639 32.88 100.00 1.283 0.281 acceptable
T62_P07.M07 0.200 0.733 1.000 0.760 0.455 0.387 1324.2 2.013 16 3.333 1.422 4.191 95.40 100.00 1.392 0.308 acceptable
T62_P23.M07 0.250 0.783 1.000 0.840 0.400 0.250 1334.1 2.204 15 3.396 1.364 5.035 133.99 100.00 1.662 0.412 acceptable
T62_P18.M01 0.200 0.907 0.833 0.880 0.583 0.333 1799.8 1.201 20 3.487 1.709 5.367 152.72 100.00 2.925 0.540 acceptable
T62_P17.M04 0.250 0.792 1.000 0.840 0.500 0.382 1443.9 2.312 9 3.558 1.406 5.321 156.89 97.89 1.695 0.389 acceptable
T62_P38.M10 0.400 0.579 0.833 0.640 0.375 0.304 1073.6 2.773 1 3.566 1.399 3.529 27.12 100.00 1.231 0.276 acceptable
T62_P17.M05 0.250 0.821 1.000 0.880 0.500 0.333 1560.6 2.599 8 3.574 1.361 4.846 120.01 97.89 1.649 0.350 acceptable
T62_P23.M09 0.250 0.844 1.000 0.840 0.455 0.323 1477.9 2.392 3 3.592 1.379 5.296 148.04 100.00 1.718 0.281 acceptable
T62_P17.M01 0.300 0.793 1.000 0.840 0.500 0.382 1442.4 2.437 8 3.640 1.418 4.991 158.48 97.89 1.730 0.429 acceptable
T62_P17.M03 0.350 0.720 1.000 0.640 0.538 0.429 1349.4 2.421 20 3.641 1.407 4.843 154.16 97.89 1.854 0.494 acceptable
T62_P17.M06 0.350 0.767 1.000 0.840 0.538 0.400 1557.0 2.794 7 3.900 1.431 4.935 149.60 97.89 1.857 0.537 acceptable
T62_P49.M02 0.200 0.909 1.000 0.880 0.571 0.389 1834.7 2.819 7 4.114 1.793 5.521 132.29 100.00 1.817 0.653 acceptable
T62_P07.M08 0.300 0.684 0.833 0.680 0.286 0.292 1090.3 3.464 13 4.133 1.682 3.926 47.20 100.00 1.807 0.308 acceptable
T62_P49.M01 0.300 0.850 1.000 0.880 0.571 0.421 1851.5 3.537 24 4.476 1.589 5.009 110.40 100.00 1.770 0.740 acceptable
T62_P05.M01 0.300 0.829 1.000 0.640 0.538 0.529 1501.9 3.862 12 4.761 1.625 4.636 109.93 100.00 1.911 0.271 acceptable
T62_P05.M10 0.200 0.875 1.000 0.800 0.538 0.429 1727.9 4.103 15 5.018 1.765 4.884 144.28 100.00 1.567 0.267 acceptable
T62_P05.M02 0.300 0.829 1.000 0.840 0.538 0.462 1908.8 4.031 16 5.060 1.842 4.836 169.55 100.00 1.667 0.270 acceptable
T62_P05.M08 0.200 0.875 1.000 0.800 0.500 0.394 1572.0 4.025 12 5.100 1.841 5.524 171.80 100.00 1.707 0.269 acceptable
T62_P05.M06 0.300 0.786 1.000 0.800 0.538 0.412 1486.1 4.052 17 5.107 1.853 4.994 175.78 100.00 1.695 0.267 acceptable
T62_P49.M03 0.250 0.881 1.000 0.840 0.571 0.400 1786.5 4.255 14 5.336 1.834 4.924 136.10 100.00 1.539 0.705 acceptable

Medium predictions 58, remaining 5 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)
T62_P20.M08 0.600 0.478 0.833 0.840 0.546 0.250 1331.8 1.247 13 1.418 0.586 2.534 2.06 100.00 0.637 0.326 medium
T62_P20.M07 0.600 0.400 1.000 0.840 0.500 0.323 1420.9 1.136 13 1.578 0.681 2.402 12.41 100.00 1.032 0.326 medium
T62_P20.M06 0.800 0.273 1.000 0.840 0.400 0.222 1202.2 1.375 12 1.617 0.583 2.473 16.90 100.00 0.718 0.326 medium
T62_P07.M04 0.650 0.594 1.000 0.920 0.571 0.281 1656.3 0.905 7 1.715 0.436 1.895 17.87 100.00 1.213 0.308 medium
T62_P02.M02 0.750 0.571 1.000 0.840 0.538 0.364 1700.6 0.720 5 1.718 0.510 1.991 11.40 100.00 1.337 0.409 medium
T62_P02.M06 0.700 0.533 1.000 0.840 0.538 0.432 1837.8 0.956 5 1.727 0.442 1.883 9.82 100.00 1.366 0.409 medium
T62_P02.M05 0.750 0.583 1.000 0.800 0.538 0.394 1766.0 0.960 4 1.798 0.450 2.169 14.43 100.00 1.244 0.324 medium
T62_P19.M01 0.800 0.590 1.000 0.840 0.538 0.344 1551.8 1.102 10 1.826 0.722 2.220 15.56 99.77 1.423 0.536 medium
T62_P02.M08 0.750 0.423 1.000 0.840 0.538 0.323 1657.0 0.935 8 1.850 0.569 2.294 16.53 100.00 1.253 0.409 medium
T62_P07.M01 0.700 0.533 1.000 0.800 0.538 0.259 1621.1 0.679 8 1.904 0.757 2.590 12.73 100.00 1.482 0.308 medium
T62_P02.M04 0.900 0.500 1.000 0.920 0.500 0.303 1870.8 1.018 7 1.941 0.517 1.982 12.11 100.00 1.379 0.543 medium
T62_P40.M09 0.800 0.579 1.000 0.920 0.500 0.324 1670.3 0.973 10 1.942 0.737 2.337 43.58 100.00 0.748 0.373 medium
T62_P01.M01 0.750 0.667 0.833 0.840 0.615 0.447 1771.0 0.557 12 1.945 0.751 2.517 23.58 100.00 1.732 0.306 medium
T62_P07.M03 0.550 0.542 1.000 0.800 0.500 0.286 1409.7 0.228 7 1.971 0.748 2.257 17.04 100.00 1.268 0.308 medium
T62_P44.M01 0.750 0.667 1.000 0.920 0.571 0.439 1889.0 0.851 27 1.976 0.760 2.864 23.90 100.00 1.716 0.385 medium
T62_P38.M02 0.800 0.610 1.000 0.840 0.500 0.417 1793.0 1.279 13 2.001 0.549 2.323 28.62 100.00 1.226 0.287 medium
T62_P01.M08 0.800 0.628 1.000 0.880 0.538 0.463 1816.0 0.892 16 2.003 0.649 2.623 18.99 100.00 1.672 0.306 medium
T62_P38.M08 0.750 0.483 1.000 0.840 0.571 0.417 1632.7 1.649 7 2.039 0.809 2.507 2.10 100.00 1.211 0.287 medium
T62_P10.M02 0.800 0.619 1.000 0.920 0.571 0.410 1919.3 0.896 17 2.127 0.547 2.724 33.83 100.00 1.519 0.308 medium
T62_P40.M10 0.600 0.727 1.000 0.880 0.571 0.421 1882.7 0.619 8 2.129 0.780 3.306 12.27 100.00 1.736 0.373 medium
T62_P01.M07 0.700 0.689 1.000 0.800 0.571 0.500 2035.5 1.034 11 2.186 0.705 2.546 38.68 100.00 1.765 0.306 medium
T62_P10.M05 0.750 0.625 1.000 0.760 0.571 0.424 1757.8 0.437 19 2.209 0.770 2.457 24.37 100.00 1.489 0.308 medium
T62_P20.M04 0.600 0.429 1.000 0.880 0.500 0.267 1372.5 1.554 26 2.231 0.815 2.599 10.15 100.00 1.486 0.326 medium
T62_P01.M05 0.650 0.723 1.000 0.840 0.571 0.500 2062.9 1.031 16 2.239 0.731 2.650 35.73 100.00 1.867 0.306 medium
T62_P10.M06 0.750 0.625 1.000 0.920 0.571 0.378 2021.9 1.052 20 2.294 0.814 2.825 42.77 100.00 1.442 0.308 medium
T62_P10.M10 0.650 0.683 1.000 0.760 0.571 0.472 2043.1 1.547 11 2.300 0.809 2.971 32.37 100.00 1.530 0.308 medium
T62_P01.M10 0.800 0.652 1.000 0.920 0.571 0.452 2067.9 0.632 22 2.338 0.776 2.714 31.04 100.00 1.706 0.308 medium
T62_P10.M01 0.800 0.652 1.000 0.920 0.571 0.452 2067.9 0.632 22 2.338 0.776 2.714 31.04 100.00 1.706 0.308 medium
T62_P10.M03 0.750 0.643 1.000 0.920 0.571 0.477 2099.9 1.066 13 2.339 0.570 2.708 58.90 100.00 1.573 0.308 medium
T62_P01.M03 0.800 0.636 1.000 0.800 0.538 0.487 1769.9 1.468 10 2.342 0.830 3.676 50.41 100.00 1.207 0.306 medium
T62_P01.M02 0.750 0.659 1.000 0.840 0.538 0.488 1812.4 1.533 18 2.364 0.870 3.833 46.23 100.00 1.369 0.306 medium
T62_P01.M06 0.750 0.559 1.000 0.800 0.500 0.412 1543.9 1.551 14 2.396 0.845 3.908 44.09 100.00 1.344 0.306 medium
T62_P10.M09 0.750 0.667 1.000 0.920 0.571 0.439 2003.0 1.164 16 2.408 0.743 2.798 35.47 100.00 1.537 0.308 medium
T62_P10.M07 0.750 0.571 1.000 0.880 0.571 0.405 1726.3 1.422 17 2.451 0.871 2.483 30.93 100.00 1.617 0.308 medium
T62_P01.M09 0.600 0.700 1.000 0.840 0.538 0.364 1848.5 1.167 10 2.467 0.918 2.749 7.08 100.00 2.118 0.306 medium
T62_P20.M09 0.550 0.450 1.000 0.800 0.538 0.333 1283.8 1.702 15 2.482 0.852 2.920 23.60 100.00 1.627 0.326 medium
T62_P36.M05 0.750 0.595 1.000 0.760 0.500 0.406 1790.8 1.301 15 2.493 0.795 2.086 22.64 100.00 1.683 0.446 medium
T62_P36.M03 0.750 0.605 1.000 0.800 0.500 0.412 1704.9 1.304 17 2.495 0.754 2.804 21.78 100.00 1.723 0.423 medium
T62_P10.M04 0.750 0.651 1.000 0.880 0.571 0.476 1929.2 0.874 20 2.498 0.696 2.839 47.68 100.00 1.540 0.308 medium
T62_P03.M06 0.800 0.568 1.000 0.880 0.571 0.436 1926.9 0.829 9 2.547 0.684 2.640 60.90 100.00 2.282 0.564 medium
T62_P20.M10 0.500 0.565 1.000 0.880 0.538 0.333 1495.6 1.657 15 2.547 0.773 2.593 22.33 100.00 1.707 0.326 medium
T62_P07.M10 0.500 0.500 1.000 0.800 0.400 0.333 1014.2 2.032 13 2.558 0.950 2.836 35.96 100.00 1.260 0.308 medium
T62_P03.M01 0.700 0.562 1.000 0.840 0.500 0.417 1922.8 0.477 9 2.622 0.767 2.294 134.59 100.00 2.245 2.359 medium
T62_P36.M04 1.000 0.546 1.000 0.920 0.571 0.439 1957.8 1.203 13 2.629 0.651 2.163 46.92 100.00 1.866 0.333 medium
T62_P03.M03 0.750 0.643 1.000 0.880 0.571 0.476 2089.7 1.124 10 2.634 0.657 2.683 55.41 100.00 2.076 0.564 medium
T62_P07.M05 0.500 0.615 1.000 0.840 0.500 0.344 1571.3 2.027 6 2.671 0.946 2.218 19.54 100.00 1.503 0.308 medium
T62_P10.M08 0.600 0.750 1.000 0.920 0.571 0.465 2056.3 1.305 14 2.703 0.920 3.569 110.77 100.00 2.077 0.308 medium
T62_P20.M02 0.650 0.435 1.000 0.880 0.500 0.267 1431.7 1.889 16 2.716 0.912 2.727 31.93 100.00 1.648 0.326 medium
T62_P03.M02 0.750 0.634 1.000 0.880 0.571 0.405 1850.4 0.836 19 2.721 0.699 2.394 89.76 100.00 2.318 0.564 medium
T62_P20.M01 0.650 0.519 1.000 0.880 0.500 0.312 1587.6 1.716 22 2.761 0.884 2.952 10.98 100.00 2.000 0.326 medium
T62_P20.M03 0.700 0.391 1.000 0.840 0.500 0.344 1430.8 2.006 21 2.796 0.967 2.709 24.94 100.00 1.583 0.326 medium
T62_P20.M05 0.600 0.429 1.000 0.840 0.538 0.300 1457.7 2.131 17 2.915 0.956 2.642 35.55 100.00 1.415 0.326 medium
T62_P03.M07 0.650 0.606 1.000 0.880 0.538 0.371 1764.9 1.302 11 3.184 0.866 2.959 23.18 100.00 2.201 0.564 medium
T62_P03.M04 0.750 0.651 1.000 0.880 0.571 0.421 1964.1 2.118 10 3.409 0.652 2.273 66.14 100.00 2.034 0.564 medium
T62_P03.M05 0.500 0.730 1.000 0.800 0.571 0.459 1848.5 2.238 8 3.631 0.735 2.187 72.57 100.00 2.179 0.564 medium
T62_P03.M08 0.650 0.581 1.000 0.800 0.500 0.375 1706.7 2.529 10 3.920 0.655 2.398 59.63 100.00 2.389 2.058 medium
T62_P03.M09 0.750 0.674 1.000 0.840 0.538 0.462 2023.4 2.949 11 4.052 0.855 3.250 54.81 100.00 2.015 0.564 medium
T62_P03.M10 0.700 0.689 1.000 0.800 0.571 0.524 2069.5 2.995 7 4.158 0.954 3.033 56.57 100.00 1.816 0.564 medium

High quality predictions 8, 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_62_xray 1.000 0.000 1.000 1.000 0.000 0.000 1126.2 0.000 4 0.000 0.000 0.000 0.00 100.00 0.000 0.000 high
interface 0.950 0.095 1.000 0.920 0.000 0.042 1154.9 0.171 15 0.173 0.235 0.513 0.32 100.00 0.000 0.308 high
unbound 0.950 0.095 1.000 0.920 0.000 0.042 1154.9 0.171 15 0.173 0.235 0.513 0.32 100.00 0.000 0.308 high
T62_P02.M09 0.900 0.438 1.000 0.800 0.538 0.310 1649.4 0.619 7 1.294 0.413 1.967 17.59 100.00 1.034 0.544 high
T62_P02.M01 0.850 0.553 1.000 0.800 0.538 0.429 1795.8 1.016 5 1.776 0.426 2.115 21.72 100.00 1.192 0.411 high
T62_P02.M03 0.950 0.424 1.000 0.880 0.538 0.389 1919.3 1.139 8 1.837 0.457 1.766 23.82 100.00 1.123 0.354 high
T62_P02.M07 0.800 0.484 1.000 0.920 0.571 0.343 1729.1 1.347 9 1.975 0.433 2.100 28.20 100.00 1.072 0.324 high
T62_P02.M10 0.850 0.585 1.000 0.880 0.571 0.389 1964.5 1.436 10 1.996 0.497 1.967 17.64 100.00 1.166 0.420 high