M.F. Lensink and S.J. Wodak
Comments, suggestions, questions: lensink(at)scmbb.ulb.ac.be
Text version of this file.
Results for:
Clashes threshold filtering: | 44.83 |
Average: | 16.68 |
StdDev: | 14.07 |
Sequence Identity threshold filtering: | 70.0 |
Eliminated 5, remaining 55 predictions
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 | 0.600 | 0.314 | 0.750 | 0.800 | 0.077 | 0.111 | 1120.7 | 0.593 | 75 | 1.418 | 1.268 | 2.251 | 0.85 | 95.60 | 1.279 | 0.862 | clashes,medium | |
interface | 0.625 | 0.265 | 0.750 | 0.800 | 0.077 | 0.111 | 1071.6 | 1.182 | 59 | 1.748 | 1.311 | 2.239 | 0.85 | 95.60 | 1.279 | 0.862 | clashes,medium | |
T22_P06.M01 | 0.050 | 0.972 | 0.312 | 0.350 | 0.773 | 0.781 | 1828.0 | 31.697 | 56 | 35.640 | 12.749 | 14.139 | 156.72 | 95.60 | 1.280 | 0.862 | clashes,incorrect | |
T22_P06.M08 | 0.000 | 1.000 | 0.500 | 0.250 | 0.600 | 0.800 | 1531.5 | 34.252 | 56 | 37.392 | 10.015 | 11.138 | 144.06 | 95.60 | 1.280 | 0.862 | clashes,incorrect | |
T22_P06.M03 | 0.000 | 1.000 | 0.562 | 0.050 | 0.609 | 0.962 | 1778.2 | 36.656 | 53 | 40.508 | 13.453 | 14.127 | 142.34 | 95.60 | 1.280 | 0.862 | clashes,incorrect |
Eliminated 0, remaining 55 predictions
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 54, remaining 1 predictions
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) | |||||||||||||
T22_P04.M05 | 0.150 | 0.867 | 0.625 | 0.650 | 0.375 | 0.235 | 1333.3 | 5.637 | 35 | 12.977 | 7.223 | 8.150 | 82.73 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P05.M10 | 0.000 | 1.000 | 0.000 | 0.800 | 1.000 | 0.304 | 1611.6 | 3.354 | 31 | 15.628 | 9.152 | 10.924 | 169.33 | 100.00 | 1.426 | 0.945 | incorrect | |
T22_P06.M06 | 0.000 | 1.000 | 0.000 | 0.950 | 1.000 | 0.240 | 1659.6 | 4.008 | 40 | 16.124 | 9.595 | 11.117 | 151.03 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P04.M07 | 0.000 | 1.000 | 0.000 | 0.750 | 1.000 | 0.250 | 1349.3 | 1.576 | 14 | 16.872 | 10.248 | 11.466 | 176.39 | 95.60 | 1.281 | 0.862 | incorrect | |
T22_P03.M09 | 0.000 | 1.000 | 0.062 | 0.700 | 0.947 | 0.263 | 1191.6 | 2.326 | 4 | 16.986 | 10.111 | 11.191 | 178.53 | 92.60 | 1.280 | 0.862 | incorrect | |
T22_P05.M07 | 0.000 | 1.000 | 0.000 | 0.550 | 1.000 | 0.389 | 1124.7 | 8.801 | 6 | 18.067 | 10.132 | 11.561 | 152.17 | 100.00 | 1.328 | 0.949 | incorrect | |
T22_P04.M03 | 0.000 | 1.000 | 0.375 | 0.750 | 0.684 | 0.250 | 1333.4 | 3.072 | 17 | 19.187 | 11.250 | 11.820 | 164.67 | 95.60 | 1.281 | 0.862 | incorrect | |
T22_P04.M01 | 0.025 | 0.975 | 0.125 | 0.800 | 0.900 | 0.200 | 1372.2 | 3.902 | 6 | 19.494 | 11.368 | 11.866 | 172.89 | 95.60 | 1.281 | 0.862 | incorrect | |
T22_P03.M02 | 0.200 | 0.714 | 0.375 | 0.450 | 0.500 | 0.308 | 872.5 | 22.508 | 6 | 27.022 | 8.033 | 8.876 | 119.21 | 92.60 | 1.280 | 0.862 | incorrect | |
T22_P03.M04 | 0.000 | 1.000 | 0.000 | 0.500 | 1.000 | 0.286 | 1070.7 | 21.542 | 2 | 27.642 | 12.205 | 13.755 | 179.39 | 92.60 | 1.280 | 0.862 | incorrect | |
T22_P02.M04 | 0.000 | 1.000 | 0.562 | 0.150 | 0.438 | 0.875 | 1413.7 | 32.600 | 5 | 32.703 | 11.037 | 11.815 | 17.03 | 95.50 | 1.256 | 0.865 | incorrect | |
T22_P02.M01 | 0.000 | 1.000 | 0.688 | 0.300 | 0.522 | 0.760 | 1589.6 | 30.502 | 8 | 33.630 | 9.012 | 10.118 | 119.94 | 95.50 | 1.238 | 0.865 | incorrect | |
T22_P01.M09 | 0.025 | 0.973 | 0.375 | 0.350 | 0.667 | 0.682 | 1359.2 | 29.699 | 9 | 33.643 | 10.730 | 11.813 | 150.27 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P05.M01 | 0.000 | 1.000 | 0.000 | 0.150 | 1.000 | 0.842 | 1284.4 | 32.057 | 25 | 34.297 | 14.514 | 15.784 | 93.15 | 100.00 | 1.361 | 0.953 | incorrect | |
T22_P05.M09 | 0.000 | 1.000 | 0.250 | 0.050 | 0.778 | 0.947 | 1287.4 | 30.389 | 25 | 34.453 | 11.731 | 12.736 | 134.85 | 100.00 | 1.321 | 0.963 | incorrect | |
T22_P01.M06 | 0.000 | 1.000 | 0.812 | 0.300 | 0.235 | 0.778 | 1153.3 | 33.588 | 16 | 34.718 | 8.905 | 9.823 | 67.52 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P05.M06 | 0.025 | 0.975 | 0.375 | 0.300 | 0.714 | 0.739 | 1360.3 | 31.171 | 9 | 34.743 | 10.699 | 11.970 | 170.64 | 100.00 | 1.329 | 0.938 | incorrect | |
T22_P01.M02 | 0.000 | 1.000 | 0.812 | 0.300 | 0.188 | 0.750 | 1296.9 | 33.608 | 15 | 34.953 | 9.009 | 9.912 | 74.56 | 95.60 | 1.279 | 0.862 | incorrect | |
T22_P05.M04 | 0.000 | 1.000 | 0.375 | 0.300 | 0.700 | 0.769 | 1456.4 | 31.576 | 14 | 35.081 | 10.698 | 12.039 | 168.58 | 100.00 | 1.290 | 0.955 | incorrect | |
T22_P01.M04 | 0.050 | 0.889 | 0.500 | 0.250 | 0.333 | 0.722 | 768.2 | 31.674 | 14 | 35.135 | 10.133 | 10.966 | 144.33 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P05.M05 | 0.025 | 0.980 | 0.375 | 0.300 | 0.727 | 0.778 | 1607.4 | 31.726 | 16 | 35.240 | 10.840 | 12.152 | 173.68 | 100.00 | 1.374 | 0.956 | incorrect | |
T22_P02.M03 | 0.050 | 0.969 | 0.688 | 0.300 | 0.560 | 0.769 | 1697.4 | 32.737 | 7 | 35.242 | 12.803 | 13.094 | 102.20 | 95.50 | 1.279 | 0.864 | incorrect | |
T22_P06.M04 | 0.075 | 0.957 | 0.375 | 0.300 | 0.750 | 0.800 | 1787.7 | 32.467 | 43 | 36.341 | 12.613 | 14.037 | 157.00 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P01.M01 | 0.050 | 0.959 | 0.250 | 0.300 | 0.789 | 0.786 | 1499.4 | 32.901 | 12 | 36.712 | 13.009 | 14.403 | 155.42 | 95.60 | 1.279 | 0.862 | incorrect | |
T22_P03.M01 | 0.000 | 1.000 | 0.250 | 0.100 | 0.733 | 0.882 | 1170.9 | 35.791 | 5 | 36.870 | 13.285 | 14.677 | 61.71 | 92.60 | 1.280 | 0.862 | incorrect | |
T22_P02.M06 | 0.000 | 1.000 | 0.562 | 0.250 | 0.500 | 0.762 | 1522.1 | 33.179 | 8 | 37.092 | 11.973 | 12.589 | 162.16 | 95.50 | 1.228 | 0.885 | incorrect | |
T22_P02.M07 | 0.000 | 1.000 | 0.812 | 0.250 | 0.409 | 0.821 | 1830.3 | 34.150 | 5 | 37.361 | 13.446 | 13.969 | 123.05 | 95.50 | 1.253 | 0.860 | incorrect | |
T22_P05.M08 | 0.000 | 1.000 | 0.062 | 0.000 | 0.938 | 1.000 | 1143.8 | 35.856 | 20 | 37.529 | 14.828 | 16.479 | 80.51 | 100.00 | 1.327 | 0.967 | incorrect | |
T22_P01.M03 | 0.000 | 1.000 | 0.250 | 0.250 | 0.789 | 0.792 | 1179.0 | 33.920 | 16 | 37.838 | 12.265 | 13.531 | 123.97 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P04.M04 | 0.025 | 0.983 | 0.812 | 0.250 | 0.350 | 0.800 | 1478.4 | 34.407 | 15 | 38.402 | 13.775 | 14.859 | 170.24 | 95.60 | 1.281 | 0.862 | incorrect | |
T22_P02.M02 | 0.000 | 1.000 | 0.688 | 0.200 | 0.353 | 0.846 | 1368.2 | 36.686 | 16 | 38.441 | 9.647 | 10.732 | 90.79 | 95.50 | 1.250 | 0.852 | incorrect | |
T22_P05.M02 | 0.000 | 1.000 | 0.000 | 0.100 | 1.000 | 0.913 | 1495.5 | 39.066 | 26 | 40.674 | 14.699 | 16.768 | 94.80 | 100.00 | 1.351 | 0.923 | incorrect | |
T22_P05.M03 | 0.000 | 1.000 | 0.000 | 0.050 | 1.000 | 0.947 | 1234.8 | 37.849 | 7 | 41.093 | 14.468 | 16.351 | 148.40 | 100.00 | 1.413 | 0.948 | incorrect | |
T22_P03.M08 | 0.000 | 1.000 | 0.000 | 0.000 | 1.000 | 1.000 | 1124.3 | 37.211 | 2 | 41.130 | 14.573 | 15.975 | 152.31 | 92.60 | 1.280 | 0.862 | incorrect | |
T22_P03.M03 | 0.000 | 1.000 | 0.000 | 0.100 | 1.000 | 0.875 | 1013.4 | 38.566 | 2 | 41.711 | 15.196 | 16.805 | 148.12 | 92.60 | 1.280 | 0.862 | incorrect | |
T22_P01.M08 | 0.000 | 1.000 | 0.750 | 0.150 | 0.000 | 0.850 | 926.3 | 39.829 | 14 | 41.877 | 11.413 | 12.810 | 99.14 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P03.M05 | 0.000 | 1.000 | 0.000 | 0.050 | 1.000 | 0.947 | 1209.4 | 39.792 | 2 | 43.438 | 15.821 | 17.352 | 179.18 | 92.60 | 1.280 | 0.862 | incorrect | |
T22_P06.M02 | 0.000 | 1.000 | 0.250 | 0.000 | 0.818 | 1.000 | 1567.9 | 42.029 | 34 | 43.801 | 15.155 | 16.877 | 99.27 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P06.M07 | 0.000 | 1.000 | 0.375 | 0.000 | 0.684 | 1.000 | 1463.9 | 40.288 | 26 | 43.830 | 12.334 | 12.989 | 178.91 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P01.M10 | 0.000 | 1.000 | 0.312 | 0.000 | 0.722 | 1.000 | 1148.8 | 43.291 | 21 | 44.382 | 14.029 | 15.848 | 62.28 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P03.M10 | 0.000 | 1.000 | 0.000 | 0.050 | 1.000 | 0.929 | 1022.0 | 41.775 | 2 | 44.411 | 17.461 | 17.935 | 124.02 | 92.60 | 1.280 | 0.862 | incorrect | |
T22_P04.M08 | 0.000 | 1.000 | 0.062 | 0.000 | 0.952 | 1.000 | 1622.6 | 43.110 | 27 | 44.669 | 15.948 | 17.765 | 88.10 | 95.60 | 1.281 | 0.862 | incorrect | |
T22_P02.M09 | 0.000 | 1.000 | 0.062 | 0.000 | 0.950 | 1.000 | 1470.7 | 43.603 | 6 | 45.089 | 16.098 | 17.899 | 86.25 | 95.50 | 1.233 | 0.883 | incorrect | |
T22_P04.M02 | 0.000 | 1.000 | 0.062 | 0.000 | 0.944 | 1.000 | 1411.9 | 43.696 | 12 | 46.197 | 15.667 | 17.347 | 118.05 | 95.60 | 1.281 | 0.862 | incorrect | |
T22_P02.M05 | 0.000 | 1.000 | 0.000 | 0.000 | 1.000 | 1.000 | 1091.9 | 44.857 | 4 | 46.235 | 17.229 | 18.836 | 75.80 | 95.50 | 1.277 | 0.875 | incorrect | |
T22_P04.M09 | 0.000 | 1.000 | 0.000 | 0.000 | 1.000 | 1.000 | 1287.0 | 46.578 | 13 | 47.311 | 17.284 | 19.044 | 60.28 | 95.60 | 1.281 | 0.862 | incorrect | |
T22_P03.M07 | 0.000 | 1.000 | 0.000 | 0.000 | 1.000 | 1.000 | 1043.3 | 44.631 | 0 | 47.641 | 17.971 | 19.134 | 150.63 | 92.60 | 1.280 | 0.862 | incorrect | |
T22_P06.M10 | 0.000 | 1.000 | 0.000 | 0.000 | 1.000 | 1.000 | 1346.8 | 44.934 | 28 | 47.659 | 17.101 | 18.548 | 132.38 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P06.M05 | 0.000 | 1.000 | 0.875 | 0.000 | 0.263 | 1.000 | 1632.4 | 46.121 | 39 | 48.258 | 13.715 | 14.045 | 108.30 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P02.M10 | 0.000 | 1.000 | 0.125 | 0.000 | 0.895 | 1.000 | 1396.5 | 44.726 | 1 | 48.514 | 16.667 | 18.397 | 176.09 | 95.50 | 1.216 | 0.877 | incorrect | |
T22_P06.M09 | 0.000 | 1.000 | 0.250 | 0.000 | 0.750 | 1.000 | 1453.6 | 46.258 | 36 | 48.678 | 14.611 | 15.487 | 146.10 | 95.60 | 1.280 | 0.862 | incorrect | |
T22_P03.M06 | 0.000 | 1.000 | 0.250 | 0.000 | 0.750 | 1.000 | 1471.8 | 47.844 | 4 | 49.912 | 16.273 | 17.899 | 105.48 | 92.60 | 1.280 | 0.862 | incorrect | |
T22_P04.M10 | 0.000 | 1.000 | 0.000 | 0.000 | 1.000 | 1.000 | 1549.9 | 47.087 | 16 | 50.392 | 17.619 | 19.356 | 178.50 | 95.60 | 1.281 | 0.862 | incorrect | |
T22_P02.M08 | 0.000 | 1.000 | 0.188 | 0.000 | 0.812 | 1.000 | 1024.2 | 50.526 | 4 | 50.992 | 18.076 | 19.198 | 48.76 | 95.50 | 1.239 | 0.883 | incorrect |
Acceptable predictions 3, remaining -2 predictions
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) | |||||||||||||
T22_P01.M07 | 0.275 | 0.353 | 0.812 | 0.600 | 0.133 | 0.143 | 746.1 | 4.378 | 15 | 4.762 | 2.232 | 2.805 | 9.08 | 95.60 | 1.280 | 0.862 | acceptable | |
T22_P04.M06 | 0.425 | 0.585 | 1.000 | 0.750 | 0.273 | 0.250 | 1502.0 | 4.175 | 9 | 5.854 | 3.113 | 3.833 | 25.72 | 95.60 | 1.280 | 0.862 | acceptable | |
T22_P01.M05 | 0.200 | 0.619 | 0.750 | 0.700 | 0.143 | 0.176 | 937.6 | 4.576 | 22 | 9.009 | 5.117 | 5.903 | 53.76 | 95.60 | 1.280 | 0.862 | acceptable |
Medium predictions 0, remaining -2 predictions
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) |
High quality predictions 1, remaining -3 predictions
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_22_xray | 1.000 | 0.000 | 1.000 | 1.000 | 0.000 | 0.000 | 1303.4 | 0.000 | 4 | 0.000 | 0.000 | 0.000 | 0.00 | 100.00 | 0.000 | 0.000 | high |