Results for CAPRI round 15 target T34

M.F. Lensink and S.J. Wodak

Comments, suggestions, questions: lensink(at)scmbb.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: 277

Clashes threshold filtering: 136.30
Average: 40.51
StdDev: 47.89
Sequence Identity threshold filtering: 65.0

Eliminated 26, remaining 251 predictions

Removed predictions:

(nclash > 136.30)
prediction f(nat) f(non-nat) f(IR) f(OP) IA d(L) nclash L_rmsd I_rmsdBB I_rmsdSC theta(L) seq ID M_rmsd classification source
(ligand) (receptor) (ligand) (receptor) (ligand) (receptor)
unbound 0.628 0.425 0.565 1.000 0.204 0.088 3398.7 0.098 197 1.039 0.688 1.265 0.83 36.40 1.020 0.002 low_id,clashes,high
interface 0.628 0.407 0.536 1.000 0.178 0.088 3229.4 0.385 153 1.159 0.747 1.292 1.69 36.40 1.020 0.002 low_id,clashes,high
T34_P39.M08 0.496 0.400 0.594 0.936 0.128 0.000 3400.4 1.204 156 3.348 1.788 2.258 10.67 100.00 1.221 0.002 clashes,medium
T34_P39.M01 0.348 0.677 0.739 0.968 0.177 0.167 4009.2 6.150 178 7.271 3.312 3.424 14.78 100.00 1.221 0.002 clashes,acceptable
T34_P39.M07 0.322 0.664 0.652 0.968 0.167 0.143 3414.6 5.135 155 7.473 3.573 3.648 21.09 100.00 1.221 0.002 clashes,acceptable
T34_P24.M05 0.147 0.856 0.391 0.677 0.526 0.222 3616.8 14.654 182 19.808 7.385 7.662 71.24 100.00 1.549 0.002 clashes,incorrect
T34_P24.M07 0.069 0.927 0.304 0.645 0.533 0.167 2860.6 15.166 254 20.769 11.217 11.427 70.92 100.00 1.358 0.002 clashes,incorrect
T34_P24.M08 0.086 0.911 0.377 0.677 0.552 0.125 3490.3 6.969 172 21.320 13.973 14.214 79.68 100.00 1.358 0.002 clashes,incorrect
T34_P04.M05 0.009 0.985 0.145 0.645 0.714 0.091 2328.7 19.228 172 21.888 9.793 10.121 58.78 100.00 1.334 0.002 clashes,incorrect
T34_P24.M10 0.147 0.830 0.319 0.677 0.522 0.250 3246.0 17.157 140 21.896 8.675 8.942 72.64 100.00 2.135 0.002 clashes,incorrect
T34_P24.M01 0.095 0.911 0.362 0.742 0.583 0.115 3760.0 6.162 155 21.921 14.342 14.583 83.94 100.00 1.358 0.002 clashes,incorrect
T34_P24.M06 0.147 0.843 0.333 0.710 0.531 0.267 3637.2 17.875 179 22.927 8.708 8.977 76.81 100.00 2.135 0.002 clashes,incorrect
T34_P62.M10 0.000 1.000 0.275 0.742 0.655 0.148 3666.0 19.934 538 23.057 11.451 10.884 69.14 36.40 1.020 0.002 low_id,clashes,incorrect
T34_P04.M01 0.000 1.000 0.058 0.516 0.892 0.158 2017.1 13.665 193 24.647 16.693 17.054 135.06 100.00 1.334 0.002 clashes,incorrect
T34_P24.M09 0.052 0.945 0.348 0.742 0.455 0.258 3375.5 22.504 236 26.812 10.814 10.990 83.44 100.00 1.549 0.002 clashes,incorrect
T34_P03.M05 0.000 1.000 0.000 0.774 1.000 0.143 2705.4 18.776 172 27.484 15.863 15.480 102.18 36.40 3.068 0.841 low_id,clashes,incorrect
T34_P09.M08 0.175 0.922 0.203 0.742 0.763 0.233 3606.3 20.691 187 27.775 16.758 15.515 98.85 34.40 1.020 0.002 low_id,clashes,incorrect
T34_P03.M03 0.000 1.000 0.217 0.419 0.722 0.381 3770.1 7.175 179 28.936 21.987 20.139 170.38 36.40 1.020 6.885 low_id,clashes,incorrect
T34_P62.M07 0.000 1.000 0.000 0.581 1.000 0.182 2836.9 18.689 237 30.442 19.377 18.398 137.92 36.40 1.020 0.002 low_id,clashes,incorrect
T34_P09.M06 0.095 0.930 0.188 0.581 0.704 0.217 2635.8 26.225 143 31.912 18.353 17.072 96.65 34.40 1.020 0.002 low_id,clashes,incorrect
T34_P03.M01 0.046 0.970 0.319 0.645 0.672 0.231 3749.4 26.861 290 32.986 15.732 15.008 102.58 36.40 1.020 0.002 low_id,clashes,incorrect
T34_P03.M08 0.000 1.000 0.652 0.000 0.814 0.000 19078.2 25.447 153 34.343 19.928 18.076 152.16 37.00 1.368 6.721 low_id,clashes,incorrect
T34_P04.M09 0.009 0.977 0.044 0.516 0.880 0.111 1658.1 25.693 163 39.883 24.979 24.785 174.87 100.00 1.334 0.002 clashes,incorrect
T34_P62.M05 0.000 1.000 0.015 0.516 0.980 0.333 3105.6 41.293 479 47.489 23.043 21.931 136.46 36.40 1.020 0.002 low_id,clashes,incorrect
T34_P03.M07 0.000 1.000 0.058 0.226 0.931 0.632 4306.2 45.760 137 48.678 22.728 22.115 114.82 36.80 0.983 0.002 low_id,clashes,incorrect
T34_P03.M04 0.081 0.941 0.362 0.355 0.737 0.522 6311.9 44.064 285 49.749 20.558 19.831 157.12 36.40 1.020 6.972 low_id,clashes,incorrect

Eliminated 24, remaining 227 predictions

Removed predictions:

(seqid < 65.0)
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)
T34_P15.M03 0.326 0.654 0.478 0.710 0.365 0.044 2925.7 1.427 47 4.962 2.968 2.956 22.89 36.40 1.020 0.002 low_id,medium
T34_P09.M01 0.222 0.770 0.319 0.742 0.522 0.000 2359.4 4.421 30 4.965 2.635 2.826 11.31 34.40 1.020 0.002 low_id,acceptable
T34_P15.M04 0.244 0.700 0.319 0.839 0.532 0.000 2704.8 4.140 36 5.133 3.097 3.132 14.68 36.40 1.020 0.002 low_id,acceptable
T34_P15.M02 0.267 0.750 0.362 0.871 0.583 0.000 3193.1 3.889 40 5.554 3.687 3.656 19.94 36.40 1.619 0.002 low_id,acceptable
T34_P09.M02 0.238 0.746 0.261 0.645 0.550 0.048 2159.2 4.076 40 5.559 3.133 3.029 20.94 34.40 1.020 0.002 low_id,acceptable
T34_P15.M09 0.198 0.779 0.304 0.806 0.596 0.074 2695.6 8.899 31 10.459 4.348 4.250 30.77 36.40 1.020 0.002 low_id,incorrect
T34_P03.M06 0.000 0.000 0.145 0.000 0.846 0.000 5214.2 11.916 0 22.728 14.541 11.373 175.70 37.10 0.991 7.130 low_id,incorrect
T34_P09.M09 0.111 0.922 0.188 0.710 0.759 0.083 2829.3 16.833 116 24.341 15.247 14.282 82.12 34.40 1.020 0.002 low_id,incorrect
T34_P09.M04 0.064 0.954 0.174 0.742 0.774 0.115 2708.6 19.926 110 29.150 18.563 17.288 103.16 34.40 1.020 0.002 low_id,incorrect
T34_P62.M02 0.000 1.000 0.116 0.323 0.765 0.333 2003.5 27.984 86 29.865 17.032 16.855 52.79 36.40 1.020 0.002 low_id,incorrect
T34_P03.M09 0.000 1.000 0.159 0.290 0.891 0.000 8195.6 20.777 51 30.365 15.315 13.013 148.15 36.40 6.613 0.002 low_id,incorrect
T34_P15.M10 0.046 0.927 0.116 0.645 0.742 0.000 2039.7 24.445 28 31.371 17.872 17.125 92.28 36.40 1.020 0.002 low_id,incorrect
T34_P62.M01 0.081 0.933 0.290 0.484 0.702 0.250 3451.6 25.482 95 31.532 14.228 13.666 92.93 36.40 1.037 0.002 low_id,incorrect
T34_P09.M03 0.064 0.940 0.145 0.548 0.722 0.190 2211.4 25.765 80 32.170 19.043 17.757 96.72 34.40 1.020 0.002 low_id,incorrect
T34_P09.M05 0.048 0.950 0.159 0.613 0.725 0.000 1980.9 24.683 58 35.721 22.098 20.400 148.93 34.40 1.020 0.002 low_id,incorrect
T34_P15.M07 0.023 0.960 0.145 0.677 0.767 0.045 2077.7 23.645 28 36.239 21.538 20.358 175.21 36.40 1.619 0.002 low_id,incorrect
T34_P09.M10 0.032 0.946 0.058 0.419 0.790 0.000 1369.5 29.213 36 39.873 22.659 21.424 173.94 34.40 1.020 0.002 low_id,incorrect
T34_P62.M04 0.000 1.000 0.116 0.290 0.724 0.438 2019.7 36.408 84 40.219 16.628 16.105 104.32 36.40 1.020 0.002 low_id,incorrect
T34_P09.M07 0.079 0.926 0.116 0.484 0.733 0.000 2117.8 32.820 102 41.937 22.571 21.511 157.76 34.40 1.020 0.002 low_id,incorrect
T34_P62.M08 0.012 0.986 0.261 0.419 0.526 0.435 2459.8 39.211 104 43.870 19.216 17.413 140.21 36.40 1.020 0.002 low_id,incorrect
T34_P03.M02 0.000 1.000 0.275 0.323 0.747 0.412 6378.0 37.955 117 47.677 15.603 15.755 137.68 39.10 8.535 0.010 low_id,incorrect
T34_P62.M09 0.000 1.000 0.072 0.355 0.833 0.389 1863.0 42.347 67 49.630 22.332 21.884 164.28 36.40 1.020 0.002 low_id,incorrect
T34_P62.M03 0.000 1.000 0.000 0.290 1.000 0.500 2060.6 60.474 92 65.823 23.872 23.261 155.07 36.40 1.020 0.002 low_id,incorrect
T34_P62.M06 0.000 1.000 0.000 0.226 1.000 0.533 1647.3 65.171 63 68.562 28.015 27.460 131.32 36.40 1.020 0.002 low_id,incorrect

Incorrect predictions 164, remaining 63 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)
T34_P45.M05 0.270 0.608 0.493 0.677 0.244 0.087 2685.7 5.147 11 10.029 4.997 5.190 37.83 100.00 1.335 0.738 incorrect
T34_P29.M08 0.200 0.652 0.478 0.645 0.175 0.048 2261.3 7.464 12 10.052 5.818 6.003 31.30 100.00 1.366 0.882 incorrect
T34_P35.M07 0.148 0.691 0.391 0.581 0.270 0.053 1992.5 7.793 64 10.146 6.060 6.114 27.23 100.00 1.343 0.002 incorrect
T34_P29.M07 0.207 0.688 0.435 0.548 0.333 0.190 2620.9 7.871 20 10.864 5.818 6.092 36.83 100.00 1.377 0.886 incorrect
T34_P48.M07 0.147 0.823 0.609 0.806 0.250 0.219 3629.8 11.515 19 13.090 6.194 6.279 24.14 100.00 1.428 1.727 incorrect
T34_P37.M06 0.060 0.919 0.391 0.742 0.438 0.281 2972.6 3.679 28 13.751 9.134 9.297 55.74 100.00 1.563 1.724 incorrect
T34_P47.M02 0.070 0.784 0.275 0.581 0.424 0.100 1684.0 5.260 4 14.107 8.176 8.337 47.91 96.90 2.230 0.545 incorrect
T34_P35.M08 0.052 0.760 0.217 0.355 0.400 0.000 1045.1 10.775 13 14.112 8.031 8.019 36.97 100.00 1.344 0.002 incorrect
T34_P47.M07 0.070 0.869 0.275 0.871 0.558 0.069 2501.3 3.144 3 15.144 8.599 8.718 57.06 96.90 2.239 0.542 incorrect
T34_P18.M04 0.078 0.763 0.333 0.419 0.258 0.000 1429.4 11.794 27 15.212 8.070 8.298 36.94 100.00 1.314 0.002 incorrect
T34_P01.M07 0.191 0.569 0.319 0.516 0.312 0.111 1970.8 12.404 11 15.973 5.566 5.878 50.27 100.00 1.334 0.002 incorrect
T34_P18.M06 0.078 0.743 0.333 0.323 0.179 0.000 1417.7 13.674 74 16.292 7.016 7.197 35.67 100.00 1.314 0.002 incorrect
T34_P35.M05 0.078 0.719 0.275 0.355 0.136 0.000 1247.5 11.004 29 16.544 9.371 9.321 45.97 100.00 1.344 0.002 incorrect
T34_P47.M08 0.113 0.812 0.391 0.645 0.438 0.091 2712.9 8.567 11 16.640 6.810 6.871 54.64 96.90 1.731 0.662 incorrect
T34_P47.M01 0.087 0.722 0.275 0.387 0.406 0.000 1500.4 10.320 4 17.250 8.539 8.529 54.39 96.90 1.645 0.691 incorrect
T34_P45.M09 0.096 0.784 0.319 0.419 0.241 0.133 1955.6 13.871 13 17.382 6.867 6.978 45.13 100.00 1.333 0.687 incorrect
T34_P45.M06 0.191 0.753 0.362 0.645 0.444 0.231 2881.3 14.008 18 17.654 5.748 6.036 55.63 100.00 1.351 0.720 incorrect
T34_P27.M04 0.017 0.875 0.101 0.226 0.611 0.000 654.6 13.316 4 18.622 8.637 8.687 50.11 100.00 5.690 0.002 incorrect
T34_P47.M09 0.044 0.921 0.261 0.742 0.581 0.042 2516.7 4.179 2 18.744 11.044 11.095 73.23 96.90 2.276 0.544 incorrect
T34_P45.M01 0.087 0.878 0.348 0.742 0.538 0.115 3122.1 8.278 24 19.823 12.794 12.796 69.90 100.00 1.337 0.711 incorrect
T34_P47.M06 0.044 0.872 0.319 0.581 0.421 0.053 1676.4 9.111 7 19.838 9.538 9.620 67.36 96.90 2.118 0.542 incorrect
T34_P18.M08 0.017 0.951 0.217 0.613 0.605 0.050 1684.2 12.114 22 20.303 12.946 13.046 67.87 100.00 1.314 0.002 incorrect
T34_P46.M05 0.113 0.881 0.319 0.742 0.681 0.080 3667.3 10.225 13 20.386 12.870 12.847 74.15 100.00 1.481 1.035 incorrect
T34_P46.M04 0.122 0.908 0.493 0.806 0.622 0.107 4788.5 10.684 36 20.468 12.759 12.742 71.54 100.00 1.480 1.168 incorrect
T34_P18.M10 0.061 0.821 0.406 0.323 0.177 0.000 1532.3 15.729 51 20.629 10.245 10.396 54.21 100.00 1.314 0.002 incorrect
T34_P39.M09 0.122 0.839 0.565 0.645 0.170 0.333 3084.1 17.856 109 20.653 6.176 5.997 45.70 100.00 1.221 0.002 incorrect
T34_P63.M09 0.087 0.868 0.551 0.645 0.156 0.333 2767.1 17.966 25 20.687 6.235 6.053 45.00 100.00 1.212 0.002 incorrect
T34_P29.M09 0.174 0.832 0.464 0.710 0.508 0.120 3891.2 13.257 87 20.735 13.015 13.080 64.72 100.00 1.366 0.785 incorrect
T34_P18.M09 0.113 0.711 0.348 0.323 0.172 0.167 1438.0 13.893 49 20.892 11.504 11.743 63.42 100.00 1.314 0.002 incorrect
T34_P47.M04 0.087 0.787 0.232 0.581 0.484 0.053 1816.3 9.818 1 20.974 10.177 10.207 73.92 96.90 1.821 0.665 incorrect
T34_P35.M06 0.096 0.676 0.304 0.452 0.300 0.000 1378.2 15.663 6 21.164 12.317 12.199 61.42 100.00 1.344 0.002 incorrect
T34_P27.M05 0.052 0.902 0.275 0.581 0.578 0.143 2227.8 12.439 59 21.670 11.020 10.922 73.64 100.00 5.690 0.002 incorrect
T34_P61.M10 0.079 0.897 0.638 0.613 0.137 0.321 2951.2 18.864 7 21.700 6.419 6.228 46.85 96.90 1.745 0.002 incorrect
T34_P29.M10 0.044 0.937 0.290 0.774 0.630 0.111 2962.8 10.635 27 22.415 14.550 14.606 78.87 100.00 1.374 0.877 incorrect
T34_P27.M07 0.009 0.968 0.159 0.355 0.500 0.267 1430.6 16.240 15 22.865 10.820 10.684 65.56 100.00 5.181 0.002 incorrect
T34_P15.M01 0.065 0.929 0.319 0.742 0.627 0.179 3094.5 7.845 54 22.946 14.765 15.001 87.30 92.10 2.440 0.002 incorrect
T34_P19.M03 0.104 0.786 0.435 0.484 0.250 0.118 2105.6 14.633 11 22.999 13.361 13.280 71.70 100.00 1.321 0.589 incorrect
T34_P27.M03 0.017 0.929 0.145 0.323 0.546 0.231 1394.8 16.109 17 23.272 11.341 11.215 68.32 100.00 5.097 0.002 incorrect
T34_P18.M03 0.026 0.930 0.217 0.484 0.546 0.062 1612.0 12.197 25 23.812 15.433 15.524 86.74 100.00 1.314 0.002 incorrect
T34_P04.M06 0.000 1.000 0.029 0.613 0.917 0.050 1386.1 13.264 85 24.146 13.444 13.998 129.21 100.00 1.334 0.002 incorrect
T34_P18.M01 0.061 0.851 0.319 0.419 0.333 0.000 1555.2 11.230 39 24.179 15.805 15.972 86.59 100.00 1.314 0.002 incorrect
T34_P27.M01 0.009 0.950 0.116 0.323 0.529 0.000 959.0 16.139 8 24.379 12.772 12.534 78.81 100.00 5.529 0.002 incorrect
T34_P15.M06 0.083 0.937 0.391 0.774 0.620 0.200 4183.9 16.612 135 24.660 14.570 14.471 83.51 92.10 1.352 0.002 incorrect
T34_P46.M08 0.044 0.962 0.449 0.742 0.587 0.179 4103.3 11.019 19 24.684 15.826 15.828 91.63 100.00 1.514 1.021 incorrect
T34_P46.M09 0.096 0.872 0.304 0.677 0.638 0.045 3077.8 12.753 17 24.743 15.776 15.744 93.87 100.00 1.471 0.991 incorrect
T34_P49.M06 0.009 0.974 0.232 0.484 0.556 0.000 1439.5 14.596 5 24.824 16.299 16.132 86.80 100.00 1.359 1.723 incorrect
T34_P46.M06 0.078 0.898 0.304 0.645 0.596 0.259 2968.4 20.192 11 24.916 13.524 13.419 72.13 100.00 1.469 1.098 incorrect
T34_P27.M09 0.034 0.818 0.116 0.419 0.579 0.000 919.9 17.763 3 25.055 9.809 9.735 72.76 100.00 5.330 0.002 incorrect
T34_P04.M07 0.000 1.000 0.029 0.419 0.905 0.000 1319.1 14.105 105 25.072 13.068 13.591 124.50 100.00 1.334 0.002 incorrect
T34_P27.M06 0.052 0.870 0.203 0.355 0.611 0.267 1892.5 16.721 95 25.150 11.258 11.158 79.32 100.00 5.690 0.002 incorrect
T34_P01.M02 0.086 0.884 0.348 0.645 0.510 0.167 3006.7 19.865 125 25.183 14.484 14.509 71.04 100.00 1.334 0.002 incorrect
T34_P48.M09 0.078 0.900 0.377 0.774 0.574 0.040 3612.4 13.499 26 25.342 16.894 16.613 92.86 100.00 1.859 1.727 incorrect
T34_P18.M05 0.052 0.854 0.333 0.355 0.258 0.000 1412.0 15.297 55 25.445 15.397 15.543 84.71 100.00 1.314 0.002 incorrect
T34_P18.M07 0.052 0.806 0.333 0.323 0.233 0.167 1553.6 16.169 34 25.454 14.566 14.710 81.88 100.00 1.314 0.002 incorrect
T34_P48.M10 0.104 0.908 0.420 0.742 0.592 0.258 4374.2 19.769 79 26.040 15.323 15.086 80.38 100.00 1.724 1.727 incorrect
T34_P46.M02 0.070 0.937 0.435 0.903 0.605 0.125 4232.1 12.043 23 26.069 16.979 16.913 96.94 100.00 1.500 1.096 incorrect
T34_P46.M07 0.061 0.899 0.290 0.419 0.574 0.350 2665.5 16.300 11 26.292 15.324 15.217 88.82 100.00 1.474 1.035 incorrect
T34_P15.M08 0.028 0.960 0.290 0.645 0.535 0.200 2529.9 23.156 37 26.442 13.842 13.727 62.46 92.10 1.352 0.002 incorrect
T34_P27.M02 0.043 0.896 0.290 0.355 0.429 0.312 1943.9 18.577 31 26.555 13.305 13.107 80.89 100.00 3.990 0.002 incorrect
T34_P45.M02 0.104 0.903 0.449 0.742 0.544 0.281 4442.9 22.581 17 26.555 14.302 14.316 67.40 100.00 1.354 0.865 incorrect
T34_P27.M08 0.043 0.881 0.290 0.355 0.355 0.353 1930.3 19.005 39 26.605 12.847 12.681 79.68 100.00 4.143 0.002 incorrect
T34_P18.M02 0.035 0.892 0.232 0.516 0.429 0.000 1306.4 11.116 18 26.654 17.834 17.947 102.80 100.00 1.314 0.002 incorrect
T34_P37.M09 0.060 0.908 0.333 0.677 0.500 0.192 2617.3 15.069 35 26.840 16.995 16.868 90.93 100.00 1.531 1.724 incorrect
T34_P49.M04 0.017 0.957 0.290 0.419 0.487 0.071 1607.0 22.712 3 26.845 14.716 14.535 69.48 100.00 1.359 1.723 incorrect
T34_P19.M08 0.113 0.750 0.435 0.484 0.167 0.062 1827.2 19.342 12 26.881 14.660 14.557 83.96 100.00 1.321 0.569 incorrect
T34_P49.M07 0.035 0.922 0.304 0.484 0.500 0.062 1789.8 22.259 4 26.886 15.110 14.898 72.51 100.00 1.359 1.723 incorrect
T34_P38.M09 0.044 0.958 0.333 0.968 0.603 0.189 4029.7 5.525 29 27.359 16.326 16.124 155.11 100.00 1.918 1.727 incorrect
T34_P27.M10 0.017 0.923 0.174 0.387 0.333 0.200 1041.9 21.952 3 27.946 13.554 13.409 73.32 100.00 3.611 0.002 incorrect
T34_P49.M02 0.026 0.939 0.319 0.419 0.353 0.071 1575.1 22.853 7 27.946 15.831 15.655 77.81 100.00 1.359 1.723 incorrect
T34_P07.M06 0.061 0.696 0.261 0.290 0.100 0.000 1001.8 21.617 11 28.228 13.801 13.614 81.86 100.00 1.369 0.002 incorrect
T34_P49.M05 0.044 0.800 0.203 0.258 0.333 0.000 1014.0 23.040 8 28.725 15.757 15.615 73.60 100.00 1.359 1.723 incorrect
T34_P07.M07 0.017 0.867 0.159 0.161 0.083 0.000 683.2 24.458 12 29.820 12.526 12.376 74.75 100.00 1.369 0.002 incorrect
T34_P45.M03 0.061 0.936 0.391 0.774 0.578 0.143 3828.6 16.133 25 30.242 19.625 19.688 119.20 100.00 1.349 0.728 incorrect
T34_P29.M05 0.096 0.804 0.333 0.645 0.303 0.091 2195.3 20.815 15 30.304 17.051 16.908 95.58 100.00 1.361 0.862 incorrect
T34_P48.M05 0.009 0.987 0.232 0.613 0.619 0.296 2775.3 24.365 22 30.317 17.604 17.322 88.64 100.00 1.419 1.727 incorrect
T34_P01.M06 0.037 0.952 0.377 0.581 0.544 0.182 3025.6 17.130 13 31.303 20.277 20.334 124.94 100.00 1.332 0.043 incorrect
T34_P45.M10 0.078 0.820 0.348 0.452 0.314 0.000 2058.6 23.704 12 31.317 15.978 15.785 92.17 100.00 1.331 0.714 incorrect
T34_P01.M01 0.035 0.886 0.188 0.323 0.381 0.167 1340.0 25.870 37 31.713 14.050 13.910 94.74 100.00 1.334 0.002 incorrect
T34_P48.M03 0.026 0.966 0.333 0.645 0.465 0.231 2867.4 25.300 18 31.958 19.223 18.883 89.97 100.00 1.444 1.727 incorrect
T34_P37.M10 0.034 0.955 0.304 0.774 0.596 0.143 3052.8 17.588 32 32.279 21.659 21.213 126.69 100.00 1.816 1.724 incorrect
T34_P19.M10 0.087 0.756 0.319 0.516 0.267 0.000 1703.2 21.908 9 32.486 18.439 18.328 104.68 100.00 1.321 0.627 incorrect
T34_P38.M03 0.044 0.951 0.522 0.677 0.321 0.323 3600.0 13.975 18 32.514 19.445 19.454 149.46 100.00 1.886 1.727 incorrect
T34_P04.M10 0.000 1.000 0.015 0.613 0.970 0.000 1800.9 21.883 127 32.587 18.331 18.415 114.65 100.00 1.334 0.002 incorrect
T34_P07.M10 0.017 0.833 0.058 0.161 0.636 0.000 486.8 27.528 6 32.745 13.774 13.711 87.33 100.00 1.369 0.002 incorrect
T34_P29.M06 0.070 0.910 0.333 0.677 0.521 0.125 3298.0 24.858 20 33.220 19.917 19.853 102.15 100.00 1.363 0.866 incorrect
T34_P25.M08 0.026 0.961 0.304 0.677 0.553 0.125 2762.4 19.526 8 33.225 21.201 21.135 127.12 100.00 1.909 1.032 incorrect
T34_P49.M10 0.026 0.885 0.275 0.258 0.240 0.111 1291.4 25.979 5 33.302 19.403 19.126 103.68 100.00 1.359 1.723 incorrect
T34_P25.M07 0.026 0.963 0.304 0.677 0.543 0.125 2747.2 19.548 8 33.316 21.187 21.086 129.25 100.00 1.880 1.417 incorrect
T34_P01.M05 0.052 0.933 0.391 0.710 0.500 0.120 2999.5 20.038 28 33.596 20.895 20.946 135.74 100.00 1.358 0.002 incorrect
T34_P45.M07 0.070 0.914 0.435 0.355 0.348 0.312 2891.5 25.583 26 33.856 17.111 17.049 135.34 100.00 1.334 0.723 incorrect
T34_P38.M02 0.000 1.000 0.623 0.387 0.189 0.538 3501.8 30.377 23 34.088 11.790 11.769 74.34 100.00 1.693 1.727 incorrect
T34_P26.M07 0.026 0.960 0.275 0.742 0.525 0.115 2691.6 20.490 8 34.110 21.730 21.565 129.30 100.00 1.989 0.002 incorrect
T34_P26.M08 0.009 0.985 0.261 0.677 0.550 0.125 2517.3 21.374 10 34.125 21.370 21.266 126.46 100.00 2.095 0.002 incorrect
T34_P07.M09 0.035 0.826 0.101 0.258 0.500 0.273 1054.0 28.952 20 34.167 18.412 18.330 92.98 100.00 1.369 0.002 incorrect
T34_P07.M08 0.017 0.857 0.087 0.226 0.538 0.125 701.8 26.858 5 34.990 18.128 17.920 112.58 100.00 1.369 0.002 incorrect
T34_P38.M04 0.026 0.970 0.609 0.774 0.160 0.294 3658.2 17.844 24 35.015 21.177 20.802 169.39 100.00 1.813 1.727 incorrect
T34_P19.M04 0.044 0.904 0.319 0.613 0.312 0.050 2027.3 17.763 13 35.143 21.804 21.852 151.13 100.00 1.323 0.620 incorrect
T34_P47.M10 0.052 0.925 0.348 0.613 0.510 0.136 3078.3 26.322 10 35.266 20.952 20.753 109.61 96.90 1.888 1.059 incorrect
T34_P05.M09 0.000 1.000 0.000 0.387 1.000 0.077 1212.5 25.408 78 35.364 20.460 20.546 128.30 100.00 1.274 0.002 incorrect
T34_P49.M08 0.044 0.800 0.217 0.355 0.250 0.000 1209.6 23.434 9 35.448 21.266 21.009 125.55 100.00 1.359 1.724 incorrect
T34_P26.M09 0.044 0.934 0.333 0.710 0.489 0.120 2744.2 26.818 12 35.716 21.367 21.222 107.46 100.00 1.636 0.002 incorrect
T34_P17.M02 0.000 1.000 0.217 0.387 0.375 0.143 1492.0 29.765 6 35.717 13.043 13.312 113.52 100.00 1.349 0.003 incorrect
T34_P35.M09 0.026 0.935 0.246 0.452 0.433 0.000 1538.6 20.938 30 35.851 22.550 22.508 152.14 100.00 1.343 0.002 incorrect
T34_P01.M04 0.017 0.954 0.217 0.548 0.546 0.056 1692.2 24.062 44 35.944 21.754 21.716 132.85 100.00 1.334 0.002 incorrect
T34_P05.M02 0.000 1.000 0.058 0.581 0.809 0.100 1632.6 25.796 38 35.971 22.301 22.310 135.12 100.00 1.274 0.002 incorrect
T34_P35.M04 0.017 0.968 0.290 0.774 0.500 0.143 2467.8 19.376 36 36.061 21.107 21.030 157.47 100.00 1.344 0.002 incorrect
T34_P05.M03 0.000 1.000 0.101 0.161 0.759 0.500 1735.1 27.480 54 36.188 17.139 17.250 119.34 100.00 1.274 0.002 incorrect
T34_P35.M10 0.070 0.857 0.246 0.581 0.469 0.053 2145.8 23.640 37 36.368 20.157 19.989 128.11 100.00 1.343 0.002 incorrect
T34_P37.M08 0.043 0.929 0.232 0.806 0.600 0.107 2394.3 21.358 30 36.386 20.490 20.252 142.27 100.00 1.277 1.724 incorrect
T34_P45.M04 0.035 0.959 0.420 0.839 0.453 0.071 3290.7 20.877 21 36.482 21.432 21.418 172.33 100.00 1.332 0.746 incorrect
T34_P48.M06 0.043 0.808 0.188 0.323 0.350 0.167 1139.4 31.701 8 36.683 16.837 16.524 97.15 100.00 1.404 1.727 incorrect
T34_P25.M09 0.078 0.855 0.435 0.548 0.318 0.105 2305.4 29.701 14 36.711 21.049 20.928 105.81 100.00 1.725 1.200 incorrect
T34_P19.M06 0.070 0.849 0.304 0.516 0.382 0.000 1972.5 24.358 10 36.824 23.205 23.215 130.76 100.00 1.319 0.553 incorrect
T34_P26.M10 0.061 0.903 0.435 0.516 0.348 0.200 2538.1 29.845 22 36.847 21.030 20.907 106.21 100.00 1.762 0.002 incorrect
T34_P19.M07 0.035 0.936 0.290 0.710 0.429 0.000 2397.5 23.420 8 37.301 20.705 20.632 140.36 100.00 1.319 0.617 incorrect
T34_P45.M08 0.017 0.977 0.159 0.677 0.732 0.125 2854.7 23.297 26 37.328 19.658 19.583 140.59 100.00 1.331 0.738 incorrect
T34_P47.M05 0.017 0.971 0.304 0.774 0.523 0.172 2723.9 23.386 10 37.332 22.934 22.763 142.87 96.90 1.686 0.902 incorrect
T34_P01.M08 0.035 0.946 0.406 0.774 0.451 0.077 2797.9 23.472 15 37.769 21.481 21.424 171.35 100.00 1.338 0.002 incorrect
T34_P05.M06 0.000 1.000 0.072 0.645 0.800 0.130 2012.0 28.306 124 37.792 22.259 22.227 127.94 100.00 1.274 0.002 incorrect
T34_P35.M01 0.026 0.929 0.246 0.548 0.370 0.000 1447.9 23.435 28 37.875 23.302 23.233 154.56 100.00 1.344 0.002 incorrect
T34_P01.M03 0.009 0.962 0.246 0.226 0.227 0.300 1020.3 31.991 31 37.877 20.452 20.384 109.06 100.00 1.334 0.002 incorrect
T34_P04.M08 0.000 1.000 0.000 0.226 1.000 0.417 984.7 29.858 48 38.573 20.729 21.045 109.18 100.00 1.334 0.002 incorrect
T34_P47.M03 0.026 0.951 0.246 0.742 0.540 0.042 2313.0 22.202 2 38.643 23.009 22.868 178.24 96.90 1.858 1.027 incorrect
T34_P19.M05 0.026 0.941 0.333 0.484 0.258 0.000 1838.9 25.120 9 39.335 23.104 23.081 175.11 100.00 1.320 0.578 incorrect
T34_P06.M10 0.000 1.000 0.000 0.129 1.000 0.200 577.2 33.171 13 40.722 23.827 23.674 111.48 100.00 1.369 0.002 incorrect
T34_P19.M02 0.070 0.814 0.333 0.452 0.324 0.000 1755.3 29.521 10 40.782 22.077 21.966 165.35 100.00 1.321 0.634 incorrect
T34_P05.M08 0.000 1.000 0.116 0.226 0.724 0.462 1745.4 34.443 73 41.371 17.742 17.839 119.08 100.00 1.274 0.002 incorrect
T34_P04.M04 0.034 0.846 0.159 0.387 0.421 0.250 1080.4 37.266 29 41.671 16.181 15.764 91.47 100.00 1.334 0.002 incorrect
T34_P38.M10 0.017 0.981 0.652 0.355 0.167 0.593 3544.1 37.374 26 41.878 13.868 13.743 91.61 100.00 1.699 1.727 incorrect
T34_P05.M01 0.000 1.000 0.000 0.258 1.000 0.385 1862.4 36.513 119 44.044 24.099 24.186 131.03 100.00 1.274 0.002 incorrect
T34_P04.M03 0.000 1.000 0.000 0.226 1.000 0.417 1110.3 36.209 27 45.402 26.239 26.086 132.17 100.00 1.334 0.002 incorrect
T34_P38.M01 0.017 0.986 0.522 0.677 0.526 0.364 4607.0 37.148 30 45.453 20.982 20.799 169.02 100.00 1.682 1.727 incorrect
T34_P06.M05 0.000 1.000 0.000 0.065 1.000 0.000 385.9 38.583 10 46.314 28.123 27.808 124.44 100.00 1.369 0.002 incorrect
T34_P07.M05 0.000 1.000 0.000 0.065 1.000 0.000 385.9 38.583 10 46.314 28.123 27.808 124.44 100.00 1.369 0.002 incorrect
T34_P38.M07 0.000 1.000 0.522 0.710 0.446 0.312 4307.5 42.168 23 46.459 19.161 19.005 124.60 100.00 1.894 1.727 incorrect
T34_P05.M07 0.000 1.000 0.000 0.258 1.000 0.385 1577.5 39.873 46 46.709 24.737 24.746 125.35 100.00 1.274 0.002 incorrect
T34_P05.M05 0.000 1.000 0.000 0.258 1.000 0.385 1675.9 40.298 38 47.245 24.817 24.866 125.50 100.00 1.274 0.002 incorrect
T34_P06.M06 0.000 1.000 0.029 0.097 0.833 0.571 647.5 40.503 15 47.835 20.959 21.128 152.85 100.00 1.369 0.002 incorrect
T34_P06.M09 0.000 1.000 0.101 0.194 0.588 0.250 1016.6 38.147 15 48.262 25.634 25.547 167.62 100.00 1.369 0.002 incorrect
T34_P06.M01 0.000 1.000 0.015 0.161 0.875 0.167 596.0 48.017 21 48.487 23.044 22.746 25.13 100.00 1.369 0.002 incorrect
T34_P07.M01 0.000 1.000 0.015 0.161 0.875 0.167 596.0 48.017 21 48.487 23.044 22.746 25.13 100.00 1.369 0.002 incorrect
T34_P05.M04 0.000 1.000 0.058 0.129 0.765 0.556 1210.2 42.053 50 48.654 20.789 20.826 130.62 100.00 1.274 0.002 incorrect
T34_P17.M06 0.000 1.000 0.029 0.161 0.895 0.667 1166.3 41.475 1 48.961 19.661 19.640 166.26 100.00 1.349 0.012 incorrect
T34_P05.M10 0.000 1.000 0.000 0.161 1.000 0.286 735.7 44.456 30 50.222 21.006 20.982 121.87 100.00 1.274 0.002 incorrect
T34_P06.M08 0.000 1.000 0.000 0.097 1.000 0.000 376.0 45.311 13 52.870 29.108 28.483 147.86 100.00 1.369 0.002 incorrect
T34_P38.M06 0.000 1.000 0.435 0.065 0.211 0.909 2858.6 47.967 22 54.255 20.139 20.688 140.92 100.00 1.792 1.727 incorrect
T34_P17.M08 0.000 1.000 0.174 0.258 0.294 0.429 1072.7 47.951 5 55.069 23.614 23.920 175.41 100.00 1.349 0.010 incorrect
T34_P06.M03 0.000 1.000 0.044 0.065 0.727 0.600 670.6 53.054 41 55.164 24.668 24.272 64.16 100.00 1.369 0.002 incorrect
T34_P07.M03 0.000 1.000 0.044 0.065 0.727 0.600 670.6 53.054 41 55.164 24.668 24.272 64.16 100.00 1.369 0.002 incorrect
T34_P04.M02 0.000 1.000 0.000 0.097 1.000 0.571 489.9 50.737 37 55.417 26.496 26.275 174.86 99.60 1.334 0.002 incorrect
T34_P06.M02 0.000 1.000 0.000 0.065 1.000 0.500 478.5 48.340 4 56.824 21.442 21.140 172.40 100.00 1.369 0.002 incorrect
T34_P07.M02 0.000 1.000 0.000 0.065 1.000 0.500 478.5 48.340 4 56.824 21.442 21.140 172.40 100.00 1.369 0.002 incorrect
T34_P17.M04 0.000 1.000 0.029 0.097 0.875 0.769 1040.6 51.163 3 57.755 23.363 23.399 123.41 100.00 1.349 0.008 incorrect
T34_P38.M08 0.000 1.000 0.493 0.226 0.359 0.708 3363.0 53.718 19 57.816 17.606 17.274 102.45 100.00 1.747 1.727 incorrect
T34_P17.M05 0.000 1.000 0.029 0.000 0.867 1.000 880.5 57.548 3 61.319 25.202 25.206 88.39 100.00 1.349 0.004 incorrect
T34_P17.M07 0.000 1.000 0.044 0.065 0.800 0.750 889.4 58.403 3 62.342 23.747 23.801 110.80 100.00 1.349 0.002 incorrect
T34_P17.M09 0.000 1.000 0.015 0.032 0.929 0.889 977.7 58.351 2 62.697 24.662 24.793 107.03 100.00 1.349 0.008 incorrect
T34_P17.M03 0.000 1.000 0.044 0.161 0.833 0.615 998.0 56.731 3 62.902 22.765 22.512 162.93 100.00 1.349 0.005 incorrect
T34_P17.M10 0.000 1.000 0.015 0.129 0.944 0.733 1016.9 57.405 2 63.336 25.375 25.099 134.48 100.00 1.349 0.009 incorrect
T34_P06.M07 0.000 1.000 0.159 0.000 0.154 1.000 788.8 61.249 10 67.044 25.236 25.122 151.02 100.00 1.369 0.002 incorrect
T34_P17.M01 0.000 1.000 0.058 0.000 0.765 1.000 1065.3 63.302 6 69.346 26.115 25.933 156.81 100.00 1.349 0.007 incorrect
T34_P06.M04 0.000 1.000 0.072 0.097 0.444 0.571 579.1 64.218 9 70.062 23.825 23.175 153.71 100.00 1.369 0.002 incorrect
T34_P07.M04 0.000 1.000 0.072 0.097 0.444 0.571 579.1 64.218 9 70.062 23.825 23.175 153.71 100.00 1.369 0.002 incorrect
T34_P48.M04 0.000 0.000 0.000 0.000 0.000 0.000 0.0 132.019 0 133.274 59.064 58.663 116.25 100.00 1.380 1.727 incorrect

Acceptable predictions 40, remaining 23 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)
T34_P25.M05 0.261 0.375 0.464 0.806 0.059 0.000 2138.8 3.626 13 4.081 2.295 2.703 3.92 100.00 1.716 1.187 acceptable
T34_P49.M03 0.209 0.429 0.449 0.774 0.061 0.000 1770.6 4.267 2 4.634 2.640 2.866 4.89 100.00 1.359 1.723 acceptable
T34_P25.M10 0.270 0.436 0.580 0.774 0.070 0.000 2333.4 4.151 11 4.845 2.695 2.953 7.60 100.00 1.668 1.557 acceptable
T34_P15.M05 0.250 0.630 0.493 0.903 0.244 0.000 2758.6 3.794 48 4.996 3.061 3.406 13.46 92.10 1.352 0.002 acceptable
T34_P29.M02 0.448 0.544 0.667 0.968 0.148 0.143 3865.0 2.887 33 5.126 2.160 2.738 21.07 100.00 1.352 0.900 acceptable
T34_P61.M08 0.290 0.566 0.565 0.839 0.220 0.071 2756.6 4.493 8 5.614 3.116 3.466 13.84 96.90 1.713 0.002 acceptable
T34_P38.M05 0.530 0.516 0.681 0.936 0.190 0.147 3959.3 4.177 30 5.745 2.709 3.061 18.13 100.00 1.724 1.727 acceptable
T34_P49.M01 0.157 0.471 0.406 0.774 0.067 0.000 1483.2 4.566 4 5.767 3.211 3.301 12.77 100.00 1.359 1.723 acceptable
T34_P48.M08 0.504 0.513 0.681 0.936 0.203 0.147 3946.3 4.302 26 5.824 2.781 3.076 18.00 100.00 1.714 1.727 acceptable
T34_P49.M09 0.163 0.483 0.304 0.613 0.125 0.000 1236.6 3.870 11 6.262 3.618 3.725 18.38 95.90 1.359 1.724 acceptable
T34_P37.M05 0.207 0.613 0.478 0.742 0.154 0.115 2428.7 2.195 25 6.294 4.294 4.452 22.70 100.00 1.241 1.724 acceptable
T34_P63.M01 0.322 0.554 0.522 0.903 0.217 0.067 2877.4 5.709 9 6.304 2.971 3.297 11.43 100.00 1.217 0.002 acceptable
T34_P19.M01 0.200 0.603 0.551 0.710 0.156 0.044 2492.0 4.337 11 6.360 3.875 4.101 16.63 100.00 1.320 0.613 acceptable
T34_P61.M06 0.360 0.481 0.609 0.742 0.125 0.000 2843.7 3.570 8 6.647 2.930 3.195 23.80 96.90 1.920 0.002 acceptable
T34_P61.M05 0.395 0.591 0.681 0.839 0.146 0.161 3665.4 5.510 10 6.718 3.117 3.328 13.82 96.90 1.804 0.002 acceptable
T34_P63.M03 0.270 0.557 0.507 0.871 0.205 0.069 2721.0 6.436 8 7.039 3.229 3.529 12.19 100.00 1.218 0.002 acceptable
T34_P39.M06 0.313 0.591 0.464 0.806 0.273 0.074 2866.3 6.383 78 7.107 3.359 3.637 13.68 100.00 1.221 0.002 acceptable
T34_P29.M04 0.336 0.664 0.710 0.806 0.197 0.167 3863.0 6.467 25 7.270 3.451 3.719 13.19 100.00 1.363 0.926 acceptable
T34_P61.M04 0.333 0.582 0.638 0.806 0.083 0.074 3193.1 4.778 13 7.306 3.794 3.953 20.12 96.90 2.215 0.002 acceptable
T34_P46.M10 0.330 0.608 0.623 0.968 0.246 0.118 3403.9 5.125 12 7.589 2.931 3.266 26.48 100.00 1.471 1.029 acceptable
T34_P63.M07 0.244 0.569 0.507 0.710 0.146 0.083 2347.5 3.658 11 7.603 3.783 4.061 28.19 100.00 1.219 0.004 acceptable
T34_P39.M10 0.287 0.571 0.565 0.774 0.188 0.077 2800.3 4.090 98 7.771 3.577 3.909 28.33 100.00 1.221 0.002 acceptable
T34_P39.M03 0.330 0.582 0.623 0.839 0.173 0.103 3167.9 6.006 108 7.928 3.068 3.146 20.97 100.00 1.221 0.002 acceptable
T34_P63.M04 0.296 0.534 0.609 0.839 0.125 0.133 2885.7 6.285 12 7.984 3.062 3.149 20.01 100.00 1.220 0.002 acceptable
T34_P35.M02 0.217 0.737 0.565 0.936 0.250 0.171 3260.6 6.400 103 8.046 4.407 4.521 18.11 100.00 1.343 0.002 acceptable
T34_P63.M08 0.278 0.610 0.551 0.806 0.174 0.074 2752.7 5.544 23 8.546 3.594 3.703 26.27 100.00 1.218 0.002 acceptable
T34_P35.M03 0.130 0.531 0.333 0.419 0.115 0.000 1267.9 6.542 23 8.562 4.271 4.467 23.03 100.00 1.344 0.002 acceptable
T34_P25.M06 0.113 0.759 0.377 0.581 0.297 0.000 2205.9 6.543 13 9.061 5.261 5.458 24.12 100.00 1.874 1.181 acceptable
T34_P26.M06 0.244 0.646 0.580 0.710 0.216 0.044 2936.2 5.173 16 9.074 5.320 5.550 28.57 100.00 1.653 0.002 acceptable
T34_P29.M03 0.244 0.746 0.638 0.742 0.200 0.303 3985.4 7.013 22 9.242 5.425 5.540 22.60 100.00 1.376 0.891 acceptable
T34_P37.M07 0.103 0.778 0.551 0.677 0.192 0.087 2228.9 5.625 24 9.316 6.161 6.155 29.49 100.00 1.844 1.723 acceptable
T34_P25.M04 0.244 0.654 0.551 0.742 0.156 0.080 2838.4 4.694 11 9.320 5.510 5.660 31.49 100.00 1.540 1.347 acceptable
T34_P39.M05 0.183 0.734 0.420 0.806 0.275 0.038 2697.9 7.439 64 9.343 5.425 5.700 20.31 100.00 1.221 0.002 acceptable
T34_P63.M06 0.148 0.764 0.420 0.774 0.256 0.040 2599.3 7.539 20 9.364 5.406 5.707 19.95 100.00 1.216 0.002 acceptable
T34_P25.M03 0.261 0.565 0.565 0.710 0.188 0.083 2731.7 6.496 16 9.433 5.234 5.394 26.23 100.00 1.565 1.270 acceptable
T34_P26.M03 0.235 0.645 0.551 0.677 0.136 0.045 2873.4 6.209 14 9.608 5.457 5.621 27.42 100.00 1.749 0.002 acceptable
T34_P26.M05 0.226 0.618 0.551 0.645 0.156 0.048 2742.0 6.563 14 9.769 5.513 5.703 27.33 100.00 1.777 0.002 acceptable
T34_P25.M01 0.278 0.600 0.536 0.742 0.119 0.000 2712.7 5.890 13 9.842 5.776 5.960 29.58 100.00 1.701 1.119 acceptable
T34_P25.M02 0.226 0.662 0.594 0.742 0.146 0.080 2938.1 5.942 9 9.846 5.640 5.798 29.69 100.00 1.620 1.138 acceptable
T34_P19.M09 0.104 0.707 0.377 0.548 0.188 0.056 1688.0 4.457 8 9.932 6.234 6.340 32.34 100.00 1.321 0.619 acceptable

Medium predictions 25, 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)
T34_P37.M01 0.431 0.275 0.667 0.903 0.098 0.000 2819.7 0.837 17 1.675 1.511 1.936 0.60 100.00 1.442 1.724 medium
T34_P37.M03 0.491 0.287 0.623 0.936 0.140 0.147 2844.7 1.504 15 2.344 1.602 2.116 3.71 100.00 1.528 1.724 medium
T34_P61.M03 0.553 0.276 0.696 0.839 0.077 0.000 3145.8 1.055 15 2.381 1.493 1.953 3.65 96.90 1.887 0.002 medium
T34_P24.M03 0.578 0.343 0.667 0.936 0.042 0.147 3393.4 1.073 129 2.610 1.209 2.076 8.03 100.00 1.358 0.002 medium
T34_P29.M01 0.470 0.438 0.739 0.936 0.150 0.065 3896.1 1.168 48 2.853 1.423 2.132 9.06 100.00 1.343 0.803 medium
T34_P46.M03 0.487 0.462 0.739 0.936 0.136 0.065 3673.5 1.510 18 3.189 1.673 2.181 9.30 100.00 1.450 1.064 medium
T34_P63.M10 0.470 0.357 0.609 0.936 0.087 0.000 3100.5 1.635 15 3.223 1.637 2.133 9.25 100.00 1.231 0.002 medium
T34_P26.M04 0.487 0.243 0.594 1.000 0.068 0.000 2816.6 2.533 19 3.524 1.837 2.449 6.68 100.00 1.785 0.002 medium
T34_P48.M02 0.500 0.420 0.725 0.968 0.038 0.167 3549.0 2.599 23 3.583 1.981 2.348 10.72 100.00 1.399 1.727 medium
T34_P26.M02 0.435 0.265 0.565 0.936 0.093 0.094 2846.5 2.909 14 3.617 1.817 2.504 2.28 100.00 2.078 0.002 medium
T34_P61.M02 0.553 0.292 0.754 0.839 0.037 0.037 3164.7 2.193 12 3.624 1.815 2.197 8.04 96.90 1.930 0.002 medium
T34_P26.M01 0.496 0.260 0.536 0.903 0.051 0.067 2907.6 2.990 9 3.801 1.997 2.593 6.07 100.00 1.802 0.002 medium
T34_P61.M07 0.526 0.348 0.652 0.806 0.043 0.038 3181.8 2.973 8 3.965 2.216 2.576 7.51 96.90 1.658 0.002 medium
T34_P37.M04 0.388 0.430 0.638 0.903 0.185 0.097 3042.8 2.897 16 3.980 2.158 2.442 7.45 100.00 1.841 1.724 medium
T34_P24.M04 0.500 0.414 0.580 0.936 0.149 0.147 3226.4 2.622 110 4.031 1.796 2.496 14.29 100.00 1.358 0.002 medium
T34_P39.M02 0.461 0.459 0.536 0.871 0.159 0.100 3324.9 1.936 128 4.180 2.456 2.821 14.77 100.00 1.221 0.002 medium
T34_P63.M05 0.374 0.419 0.594 0.968 0.089 0.000 3076.9 2.902 6 4.235 2.386 2.820 10.32 100.00 1.217 0.002 medium
T34_P63.M02 0.391 0.375 0.580 0.839 0.091 0.000 2872.9 2.718 17 4.246 2.322 2.728 12.60 100.00 1.217 0.002 medium
T34_P37.M02 0.371 0.358 0.551 0.839 0.156 0.000 2600.7 2.555 15 4.273 2.451 3.070 11.51 100.00 1.752 1.723 medium
T34_P46.M01 0.330 0.531 0.638 0.806 0.137 0.107 3156.7 3.004 14 4.325 2.785 2.975 10.67 100.00 1.455 1.020 medium
T34_P39.M04 0.383 0.482 0.594 0.968 0.128 0.000 3330.9 2.763 109 4.334 2.514 2.928 11.31 100.00 1.221 0.002 medium
T34_P61.M01 0.430 0.546 0.725 0.903 0.167 0.067 3699.9 3.624 14 4.442 2.399 2.687 8.29 96.90 1.520 0.002 medium
T34_P24.M02 0.397 0.439 0.536 0.871 0.140 0.129 2730.6 3.651 93 4.549 1.935 2.514 10.77 100.00 1.358 0.002 medium
T34_P48.M01 0.422 0.456 0.652 0.936 0.082 0.147 3111.1 3.887 21 4.608 2.232 2.520 10.61 100.00 1.456 1.727 medium
T34_P61.M09 0.377 0.482 0.580 0.839 0.130 0.071 2889.6 3.144 10 4.683 2.846 3.083 12.18 96.90 2.053 0.002 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_t34_xray 1.000 0.000 1.000 1.000 0.000 0.000 3708.2 0.000 22 0.000 0.000 0.000 0.00 100.00 0.000 0.000 high