Results for CAPRI round 28 target T60

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: 320

Clashes threshold filtering: 25.74
Average: 12.32
StdDev: 6.71
Sequence Identity threshold filtering: 70.0

Eliminated 13, remaining 307 predictions

Removed predictions:

(nclash > 25.74)
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)
T60_P20.M05 0.889 0.360 0.833 1.000 0.546 0.267 1348.7 0.445 32 1.403 0.503 1.939 21.54 100.00 1.142 0.308 clashes,medium
T60_P04.M05 0.667 0.500 1.000 0.954 0.455 0.300 1340.9 0.339 27 1.895 0.820 2.080 22.30 100.00 1.267 0.249 clashes,medium
T60_P07.M05 0.278 0.917 1.000 0.954 0.600 0.523 2199.8 2.123 26 3.962 1.800 4.656 173.63 100.00 1.659 0.824 clashes,acceptable
T60_P07.M06 0.278 0.914 1.000 0.954 0.600 0.553 2192.2 2.284 27 4.018 1.828 4.687 174.64 100.00 1.592 0.851 clashes,acceptable
T60_P46.M04 0.000 1.000 0.667 0.455 0.556 0.524 808.7 10.186 52 10.731 4.574 6.706 135.91 99.77 2.287 0.271 clashes,incorrect
T60_P04.M10 0.056 0.958 0.667 0.636 0.556 0.462 1261.9 10.232 27 11.107 4.255 7.381 175.45 100.00 2.746 0.249 clashes,incorrect
T60_P20.M04 0.000 1.000 1.000 0.182 0.600 0.886 1840.5 27.051 33 27.236 10.790 12.604 122.67 99.77 1.894 0.242 clashes,incorrect
T60_P19.M08 0.000 1.000 1.000 0.045 0.500 0.965 1644.2 28.558 31 29.524 11.237 13.223 97.11 100.00 1.900 0.360 clashes,incorrect
T60_P33.M07 0.000 1.000 1.000 0.000 0.600 1.000 1934.5 32.046 30 32.254 12.715 14.251 113.65 97.89 1.575 0.562 clashes,incorrect
T60_P19.M01 0.000 1.000 1.000 0.045 0.538 0.971 1819.7 30.808 28 32.387 12.450 14.235 171.64 100.00 1.601 0.360 clashes,incorrect
T60_P20.M08 0.000 1.000 1.000 0.000 0.455 1.000 1527.9 32.248 31 32.466 12.912 14.444 103.86 100.00 1.445 0.250 clashes,incorrect
T60_P20.M06 0.000 1.000 1.000 0.000 0.455 1.000 1500.4 32.514 27 32.733 13.038 14.433 104.03 100.00 1.445 0.260 clashes,incorrect
T60_P49.M07 0.000 1.000 1.000 0.000 0.600 1.000 1578.8 39.475 28 40.050 15.860 17.459 89.02 100.00 1.163 0.229 clashes,incorrect

Eliminated 0, remaining 307 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 220, remaining 87 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)
T60_P20.M02 0.056 0.938 0.833 0.773 0.444 0.370 1012.8 3.146 6 4.020 1.703 5.315 77.84 100.00 1.661 0.250 incorrect
T60_P02.M03 0.167 0.917 1.000 1.000 0.500 0.421 1722.2 3.238 9 4.374 1.967 4.692 127.41 100.00 2.064 0.654 incorrect
T60_P43.M03 0.500 0.816 1.000 0.954 0.571 0.417 1732.5 4.289 9 4.826 2.090 4.021 44.80 99.77 1.891 0.262 incorrect
T60_P26.M04 0.222 0.892 1.000 0.909 0.571 0.444 1542.6 3.872 11 5.114 2.005 4.238 167.90 100.00 1.669 0.258 incorrect
T60_P26.M08 0.222 0.875 1.000 0.773 0.571 0.469 1482.4 4.519 5 5.550 2.086 5.056 154.79 100.00 1.571 0.258 incorrect
T60_P15.M07 0.500 0.861 1.000 0.954 0.600 0.571 2245.6 4.697 23 5.559 2.089 3.921 144.40 100.00 2.119 0.986 incorrect
T60_P26.M10 0.222 0.892 1.000 0.909 0.571 0.444 1733.6 5.052 15 5.577 2.092 3.829 65.83 100.00 1.697 0.258 incorrect
T60_P13.M04 0.111 0.954 0.833 0.909 0.615 0.375 1790.8 4.019 22 5.660 2.511 4.621 170.18 100.00 3.155 0.507 incorrect
T60_P42.M05 0.333 0.812 1.000 0.773 0.600 0.452 1702.7 4.447 7 5.929 2.300 4.044 54.18 100.00 1.948 0.276 incorrect
T60_P26.M07 0.389 0.800 1.000 0.818 0.571 0.455 1751.0 5.326 15 6.086 2.315 3.092 117.47 100.00 1.805 0.258 incorrect
T60_P21.M02 0.222 0.857 1.000 0.727 0.600 0.448 1396.3 4.490 6 6.103 2.591 5.030 116.94 100.00 1.070 0.233 incorrect
T60_P26.M06 0.389 0.774 1.000 0.773 0.571 0.452 1626.7 5.420 14 6.161 2.336 3.188 115.39 100.00 1.810 0.258 incorrect
T60_P20.M01 0.056 0.929 0.667 0.682 0.636 0.423 1167.9 5.546 13 6.277 2.764 4.909 92.92 100.00 1.614 0.250 incorrect
T60_P02.M01 0.278 0.889 1.000 0.954 0.600 0.432 1849.3 5.627 9 6.405 2.426 3.346 92.70 100.00 1.739 0.708 incorrect
T60_P21.M05 0.222 0.862 1.000 0.727 0.600 0.448 1426.6 5.268 6 6.704 2.763 5.121 116.37 100.00 1.091 0.232 incorrect
T60_P15.M10 0.278 0.922 1.000 0.954 0.600 0.611 2446.2 6.512 23 7.171 2.436 4.756 118.79 100.00 2.055 0.816 incorrect
T60_P27.M01 0.000 1.000 0.833 0.591 0.583 0.500 1383.2 6.363 8 8.305 3.399 5.227 78.11 100.00 3.184 0.253 incorrect
T60_P15.M03 0.278 0.925 1.000 0.954 0.571 0.588 2357.8 8.161 18 8.772 3.169 3.697 64.37 100.00 2.252 1.206 incorrect
T60_P27.M05 0.222 0.852 0.833 0.636 0.583 0.440 1265.0 5.022 4 9.278 4.423 6.989 170.27 100.00 3.283 0.255 incorrect
T60_P07.M02 0.222 0.938 1.000 1.000 0.600 0.600 2442.8 9.276 19 9.587 3.795 4.550 45.06 100.00 1.861 1.596 incorrect
T60_P07.M04 0.222 0.939 1.000 1.000 0.600 0.600 2449.0 9.235 19 9.610 3.763 4.438 64.54 100.00 1.946 1.595 incorrect
T60_P07.M01 0.222 0.939 1.000 1.000 0.600 0.600 2525.6 9.211 17 9.612 3.744 4.515 39.21 100.00 2.034 1.582 incorrect
T60_P07.M03 0.222 0.940 1.000 1.000 0.600 0.585 2430.0 9.267 21 9.632 3.790 4.482 53.89 100.00 1.878 1.595 incorrect
T60_P15.M04 0.222 0.942 1.000 1.000 0.600 0.600 2482.6 9.396 17 9.735 3.801 4.574 46.31 100.00 1.902 1.598 incorrect
T60_P43.M10 0.000 1.000 0.833 0.773 0.643 0.575 1886.0 8.900 4 9.813 4.131 5.751 139.36 99.77 2.025 0.271 incorrect
T60_P15.M01 0.278 0.925 1.000 0.954 0.600 0.596 2417.5 9.512 24 9.949 3.597 3.685 31.28 100.00 1.874 1.355 incorrect
T60_P14.M02 0.111 0.929 1.000 0.864 0.333 0.296 1231.3 6.162 9 10.120 3.903 5.997 173.68 100.00 2.990 0.267 incorrect
T60_P31.M06 0.000 1.000 0.833 0.636 0.583 0.440 1287.2 9.357 7 10.247 4.478 6.483 161.40 99.77 2.656 0.268 incorrect
T60_P31.M10 0.000 1.000 0.833 0.636 0.643 0.562 1423.2 9.428 6 10.312 4.493 6.586 161.57 99.77 2.658 0.277 incorrect
T60_P46.M05 0.000 1.000 0.500 0.318 0.571 0.417 480.6 9.691 7 10.340 4.430 6.736 125.64 99.77 2.181 0.280 incorrect
T60_P31.M07 0.000 1.000 0.833 0.636 0.643 0.548 1379.1 9.479 4 10.353 4.510 6.589 160.23 99.77 2.639 0.272 incorrect
T60_P31.M08 0.000 1.000 0.833 0.636 0.643 0.533 1394.1 9.472 7 10.355 4.524 6.597 160.56 99.77 2.654 0.277 incorrect
T60_P31.M01 0.000 1.000 0.667 0.636 0.667 0.517 1254.6 9.527 7 10.411 4.542 6.660 158.53 99.77 2.653 0.269 incorrect
T60_P31.M02 0.000 1.000 0.833 0.591 0.643 0.536 1374.2 9.552 5 10.415 4.541 6.697 153.71 99.77 2.654 0.272 incorrect
T60_P31.M09 0.000 1.000 0.833 0.636 0.643 0.481 1227.8 9.546 2 10.420 4.546 6.689 158.41 99.77 2.657 0.268 incorrect
T60_P31.M03 0.000 1.000 0.833 0.636 0.643 0.562 1399.2 9.577 6 10.450 4.555 6.688 159.28 99.77 2.657 0.271 incorrect
T60_P31.M04 0.000 1.000 0.833 0.636 0.643 0.533 1383.1 9.611 6 10.497 4.569 6.583 164.06 99.77 2.655 0.268 incorrect
T60_P31.M05 0.000 1.000 0.833 0.636 0.643 0.481 1259.5 9.660 5 10.541 4.595 6.660 159.89 99.77 2.656 0.268 incorrect
T60_P46.M02 0.056 0.929 0.667 0.546 0.600 0.520 1048.2 10.120 9 10.658 4.547 6.663 130.96 99.77 2.270 0.269 incorrect
T60_P46.M01 0.000 1.000 0.667 0.500 0.600 0.421 847.8 10.176 2 10.701 4.565 6.693 129.81 99.77 2.256 0.268 incorrect
T60_P46.M03 0.000 1.000 0.667 0.500 0.556 0.389 766.1 10.344 0 10.856 4.615 6.798 131.90 99.77 2.304 0.269 incorrect
T60_P27.M06 0.056 0.969 0.833 0.727 0.546 0.484 1410.1 8.223 11 11.197 4.364 6.843 161.56 100.00 3.014 0.271 incorrect
T60_P30.M04 0.000 1.000 0.833 0.636 0.615 0.533 1550.3 10.301 16 11.297 4.706 6.206 176.79 100.00 2.418 0.249 incorrect
T60_P15.M02 0.000 1.000 1.000 0.954 0.600 0.553 2267.5 11.155 25 11.423 4.590 6.391 64.21 100.00 1.667 1.505 incorrect
T60_P30.M08 0.000 1.000 1.000 0.727 0.600 0.529 1519.1 11.203 9 11.857 4.761 7.179 129.19 100.00 1.356 0.249 incorrect
T60_P09.M06 0.167 0.914 0.833 0.773 0.615 0.553 1715.8 11.555 14 12.496 4.566 4.602 104.67 100.00 1.907 0.330 incorrect
T60_P21.M10 0.000 1.000 1.000 0.954 0.500 0.344 1395.8 12.269 6 12.568 4.904 7.134 114.20 100.00 1.226 0.236 incorrect
T60_P27.M02 0.056 0.960 0.833 0.636 0.546 0.562 1237.1 10.026 7 12.572 4.866 7.024 156.30 100.00 3.065 0.261 incorrect
T60_P27.M03 0.000 1.000 0.833 0.636 0.546 0.333 1082.1 12.505 3 12.989 5.012 7.395 63.66 100.00 2.938 0.256 incorrect
T60_P43.M02 0.111 0.971 1.000 0.591 0.600 0.683 2012.7 13.152 8 13.785 5.307 6.520 44.12 99.77 2.318 0.260 incorrect
T60_P15.M08 0.111 0.968 1.000 0.954 0.600 0.543 2126.3 9.369 20 14.070 6.898 8.612 177.47 100.00 1.727 1.477 incorrect
T60_P13.M08 0.111 0.946 0.667 0.773 0.667 0.414 1457.6 11.981 19 14.348 5.336 7.732 153.62 100.00 3.088 0.509 incorrect
T60_P43.M01 0.111 0.964 1.000 0.682 0.600 0.643 1953.1 13.733 7 16.004 5.977 8.480 125.29 99.77 1.641 0.257 incorrect
T60_P33.M10 0.000 1.000 1.000 0.546 0.600 0.721 2007.4 15.944 10 16.399 6.252 7.178 100.63 97.89 1.928 0.620 incorrect
T60_P33.M09 0.000 1.000 1.000 0.546 0.600 0.721 1961.9 15.915 13 16.477 6.316 7.640 128.75 97.89 1.957 0.564 incorrect
T60_P33.M02 0.000 1.000 1.000 0.591 0.600 0.698 2006.9 16.096 16 16.629 6.352 7.455 130.74 97.89 2.016 0.412 incorrect
T60_P29.M02 0.000 1.000 1.000 0.136 0.600 0.897 1615.3 15.857 11 17.817 8.235 10.417 141.18 100.00 1.996 4.055 incorrect
T60_P15.M06 0.056 0.984 1.000 0.864 0.600 0.578 2280.3 15.017 23 17.913 8.156 10.800 157.69 100.00 2.452 1.431 incorrect
T60_P21.M08 0.000 1.000 0.833 0.864 0.500 0.240 1154.2 17.299 3 17.925 6.780 8.365 61.85 100.00 1.182 0.231 incorrect
T60_P12.M05 0.000 1.000 0.833 0.455 0.643 0.730 1648.2 17.462 16 17.976 6.959 8.964 100.82 100.00 2.015 0.354 incorrect
T60_P30.M09 0.000 1.000 0.833 0.273 0.615 0.829 1633.0 17.979 17 18.376 7.185 8.958 83.17 100.00 2.069 0.249 incorrect
T60_P21.M03 0.000 1.000 1.000 0.864 0.500 0.424 1321.8 18.089 4 18.462 7.310 9.071 124.30 100.00 1.199 0.237 incorrect
T60_P29.M01 0.000 1.000 1.000 0.136 0.600 0.897 1737.9 17.325 11 18.912 7.538 9.510 105.54 100.00 1.973 3.459 incorrect
T60_P29.M03 0.000 1.000 1.000 0.136 0.600 0.909 1770.9 17.653 13 19.538 8.425 10.556 147.19 100.00 2.035 2.974 incorrect
T60_P07.M10 0.000 1.000 1.000 0.909 0.600 0.592 2224.6 17.313 22 20.007 9.409 11.510 151.44 100.00 1.647 1.835 incorrect
T60_P07.M08 0.000 1.000 1.000 0.909 0.600 0.592 2320.5 17.266 18 20.166 9.590 12.448 157.33 100.00 2.152 1.784 incorrect
T60_P07.M09 0.000 1.000 1.000 0.909 0.600 0.583 2240.6 17.481 19 20.175 9.487 11.545 149.37 100.00 1.672 1.826 incorrect
T60_P07.M07 0.000 1.000 1.000 0.909 0.600 0.556 2265.3 17.355 19 20.204 9.623 12.384 164.40 100.00 2.084 1.792 incorrect
T60_P12.M02 0.000 1.000 1.000 0.455 0.600 0.773 2103.0 19.908 5 20.243 7.961 10.307 140.89 100.00 1.996 0.275 incorrect
T60_P15.M05 0.000 1.000 0.833 0.864 0.643 0.620 2185.2 18.202 17 20.622 9.369 12.056 154.78 100.00 1.949 1.322 incorrect
T60_P09.M04 0.056 0.973 0.833 0.682 0.615 0.583 1813.8 18.150 15 20.770 9.304 11.313 153.41 100.00 1.994 0.334 incorrect
T60_P29.M06 0.000 1.000 1.000 0.227 0.600 0.821 1653.0 19.633 9 20.983 8.948 10.384 101.55 100.00 1.867 2.623 incorrect
T60_P29.M05 0.000 1.000 1.000 0.045 0.600 0.968 1526.9 20.337 9 21.772 10.270 12.449 139.47 100.00 1.757 4.628 incorrect
T60_P30.M03 0.000 1.000 1.000 0.136 0.571 0.912 1476.6 22.113 15 22.476 9.010 10.808 165.35 100.00 1.811 0.249 incorrect
T60_P13.M07 0.000 1.000 0.667 0.318 0.667 0.731 1376.4 21.253 15 22.491 8.521 10.431 140.61 100.00 3.266 0.496 incorrect
T60_P30.M10 0.000 1.000 1.000 0.091 0.571 0.936 1380.3 22.171 17 22.540 9.042 10.878 163.06 100.00 1.798 0.249 incorrect
T60_P29.M04 0.000 1.000 1.000 0.000 0.600 1.000 1893.5 21.472 17 22.637 9.332 11.517 157.08 100.00 2.188 2.945 incorrect
T60_P29.M09 0.000 1.000 0.667 0.136 0.692 0.921 1568.2 22.406 19 22.713 8.997 10.680 118.36 100.00 1.559 3.423 incorrect
T60_P29.M10 0.000 1.000 0.667 0.136 0.692 0.914 1740.5 22.476 15 22.784 8.977 10.763 118.84 100.00 1.654 3.399 incorrect
T60_P12.M06 0.000 1.000 1.000 0.227 0.600 0.872 1725.1 22.969 15 23.289 9.373 11.040 81.09 100.00 2.539 0.387 incorrect
T60_P10.M03 0.000 1.000 0.667 0.182 0.692 0.871 1455.0 22.089 13 23.361 10.063 13.061 178.85 100.00 3.316 0.690 incorrect
T60_P14.M10 0.000 1.000 0.833 0.000 0.546 1.000 1256.4 22.737 8 23.606 9.507 11.628 148.64 100.00 3.090 0.249 incorrect
T60_P13.M02 0.000 1.000 1.000 0.045 0.600 0.965 1766.1 23.657 21 24.220 10.006 11.774 170.51 100.00 1.966 0.502 incorrect
T60_P12.M01 0.000 1.000 1.000 0.364 0.600 0.814 2130.7 24.117 4 24.228 9.581 11.647 51.79 100.00 1.595 0.322 incorrect
T60_P30.M06 0.000 1.000 1.000 0.000 0.600 1.000 1664.1 24.224 21 24.857 10.297 12.073 144.86 100.00 2.122 0.249 incorrect
T60_P12.M03 0.000 1.000 1.000 0.364 0.600 0.814 2194.4 24.829 3 24.955 9.841 11.696 58.61 100.00 1.467 0.273 incorrect
T60_P44.M05 0.000 1.000 0.833 0.000 0.643 1.000 1605.7 25.051 5 25.159 9.888 12.001 67.44 100.00 2.015 1.474 incorrect
T60_P44.M02 0.000 1.000 0.833 0.000 0.643 1.000 1658.4 25.238 9 25.350 9.973 12.075 62.37 100.00 2.135 1.429 incorrect
T60_P09.M05 0.000 1.000 1.000 0.227 0.600 0.844 1662.0 25.139 11 25.503 9.731 11.681 136.97 100.00 1.919 0.326 incorrect
T60_P44.M06 0.000 1.000 0.833 0.000 0.643 1.000 1635.8 25.434 4 25.543 10.112 12.225 61.53 100.00 2.097 1.338 incorrect
T60_P44.M04 0.000 1.000 0.833 0.000 0.643 1.000 1498.4 25.543 9 25.663 10.203 12.197 55.78 100.00 2.195 1.405 incorrect
T60_P44.M01 0.000 1.000 0.833 0.000 0.643 1.000 1374.6 25.754 9 25.916 10.285 12.363 64.47 100.00 2.149 1.362 incorrect
T60_P27.M04 0.000 1.000 0.833 0.136 0.546 0.889 1328.2 24.779 10 25.967 11.159 13.481 157.51 100.00 3.124 0.249 incorrect
T60_P44.M03 0.000 1.000 1.000 0.000 0.600 1.000 1712.7 25.847 7 25.968 10.391 12.702 89.59 100.00 1.550 1.381 incorrect
T60_P44.M10 0.000 1.000 1.000 0.000 0.600 1.000 1803.7 25.807 7 25.969 10.251 12.432 111.75 100.00 1.299 1.242 incorrect
T60_P44.M08 0.000 1.000 1.000 0.000 0.600 1.000 1827.0 25.960 10 26.110 10.470 12.837 95.48 100.00 1.282 1.293 incorrect
T60_P44.M07 0.000 1.000 0.833 0.000 0.643 1.000 1700.3 26.027 8 26.153 10.523 12.818 103.96 100.00 1.406 1.350 incorrect
T60_P44.M09 0.000 1.000 0.833 0.000 0.643 1.000 1625.5 26.075 8 26.222 10.204 12.534 92.23 100.00 1.718 1.430 incorrect
T60_P12.M04 0.000 1.000 1.000 0.364 0.600 0.814 2200.9 26.168 4 26.277 10.395 12.404 83.27 100.00 2.066 0.293 incorrect
T60_P19.M09 0.000 1.000 1.000 0.045 0.600 0.972 1611.0 25.686 17 26.300 10.553 12.154 95.71 100.00 1.429 0.360 incorrect
T60_P43.M06 0.000 1.000 1.000 0.000 0.600 1.000 2005.4 26.227 8 26.630 10.584 12.047 68.88 99.77 2.588 0.274 incorrect
T60_P43.M07 0.000 1.000 1.000 0.000 0.571 1.000 1558.8 26.646 7 26.803 11.177 13.482 31.78 99.77 2.630 0.269 incorrect
T60_P10.M09 0.000 1.000 0.667 0.136 0.600 0.857 1149.9 26.133 5 27.185 11.672 13.977 140.26 100.00 3.455 0.891 incorrect
T60_P30.M07 0.000 1.000 1.000 0.091 0.538 0.946 1664.3 26.968 19 27.202 10.763 12.061 109.09 100.00 1.980 0.249 incorrect
T60_P10.M08 0.000 1.000 0.667 0.000 0.600 1.000 1245.9 26.684 10 27.568 11.084 12.810 137.42 100.00 3.356 0.724 incorrect
T60_P30.M05 0.000 1.000 1.000 0.000 0.600 1.000 1761.1 27.540 21 27.752 11.043 12.335 117.10 100.00 2.082 0.249 incorrect
T60_P43.M09 0.000 1.000 1.000 0.000 0.571 1.000 1960.0 28.155 8 28.308 11.314 13.616 28.75 99.77 2.428 0.310 incorrect
T60_P43.M04 0.000 1.000 1.000 0.000 0.600 1.000 1979.4 29.350 7 29.487 12.078 14.521 30.43 99.77 2.781 0.262 incorrect
T60_P20.M07 0.000 1.000 1.000 0.182 0.500 0.886 1561.2 29.403 23 29.575 11.706 13.403 100.92 100.00 2.239 0.250 incorrect
T60_P42.M07 0.000 1.000 1.000 0.000 0.538 1.000 1686.4 29.396 9 29.660 11.561 13.272 58.73 100.00 1.560 0.264 incorrect
T60_P02.M10 0.000 1.000 0.833 0.000 0.643 1.000 1869.5 29.774 10 29.996 11.802 13.749 48.81 100.00 2.315 0.676 incorrect
T60_P19.M07 0.000 1.000 1.000 0.091 0.600 0.946 1763.0 30.283 17 30.728 12.167 14.121 116.32 100.00 1.499 0.360 incorrect
T60_P43.M05 0.000 1.000 1.000 0.045 0.571 0.974 1903.4 30.784 9 30.827 12.434 14.130 4.05 99.77 1.990 0.288 incorrect
T60_P13.M09 0.000 1.000 0.833 0.000 0.583 1.000 1730.3 30.531 18 30.862 12.534 14.295 56.74 100.00 3.278 0.488 incorrect
T60_P10.M01 0.000 1.000 0.833 0.000 0.643 1.000 1469.9 29.913 10 30.979 13.109 16.032 174.92 100.00 3.274 0.862 incorrect
T60_P39.M03 0.000 1.000 1.000 0.000 0.571 1.000 1493.8 31.063 13 31.275 12.644 14.678 84.17 100.00 0.821 0.249 incorrect
T60_P14.M06 0.000 1.000 0.667 0.000 0.692 1.000 1316.4 31.095 3 31.372 12.515 14.667 139.56 100.00 3.141 0.252 incorrect
T60_P13.M10 0.000 1.000 1.000 0.000 0.600 1.000 1712.2 30.115 10 31.451 12.251 14.584 168.52 100.00 1.532 0.498 incorrect
T60_P19.M02 0.000 1.000 1.000 0.000 0.571 1.000 1688.8 31.138 12 31.489 12.413 14.360 152.76 100.00 1.355 0.360 incorrect
T60_P19.M06 0.000 1.000 1.000 0.045 0.538 0.958 1454.2 30.944 13 31.572 12.312 13.981 157.05 100.00 1.397 0.360 incorrect
T60_P39.M01 0.000 1.000 1.000 0.000 0.500 1.000 1187.6 31.467 5 31.670 12.545 13.998 90.30 100.00 0.994 0.249 incorrect
T60_P39.M06 0.000 1.000 1.000 0.045 0.571 0.969 1618.6 31.447 9 31.686 12.695 14.507 83.34 100.00 0.858 0.249 incorrect
T60_P39.M04 0.000 1.000 1.000 0.000 0.571 1.000 1460.4 31.585 9 31.761 12.755 14.139 71.71 100.00 1.074 0.249 incorrect
T60_P39.M07 0.000 1.000 1.000 0.045 0.500 0.970 1508.0 31.736 9 31.972 12.705 14.294 99.55 100.00 0.978 0.249 incorrect
T60_P08.M03 0.000 1.000 1.000 0.000 0.500 1.000 1780.4 31.923 14 32.066 12.891 14.498 79.58 100.00 1.141 0.468 incorrect
T60_P08.M04 0.000 1.000 1.000 0.045 0.500 0.971 1761.7 31.933 14 32.075 12.891 14.493 79.08 100.00 1.104 0.460 incorrect
T60_P39.M08 0.000 1.000 1.000 0.000 0.500 1.000 1286.4 31.850 11 32.099 12.775 14.286 95.29 100.00 0.888 0.249 incorrect
T60_P42.M02 0.000 1.000 1.000 0.000 0.500 1.000 1696.4 31.925 13 32.119 12.719 14.655 98.76 100.00 1.466 0.264 incorrect
T60_P11.M05 0.000 1.000 1.000 0.000 0.500 1.000 1444.4 32.045 11 32.248 12.798 14.187 98.39 100.00 1.397 0.252 incorrect
T60_P29.M08 0.000 1.000 0.833 0.091 0.615 0.938 1563.3 30.537 10 32.277 14.274 16.822 160.49 100.00 2.057 3.176 incorrect
T60_P11.M08 0.000 1.000 1.000 0.000 0.538 1.000 1671.3 32.089 12 32.281 12.867 14.394 102.81 100.00 1.258 0.249 incorrect
T60_P42.M03 0.000 1.000 1.000 0.000 0.571 1.000 1742.9 32.009 12 32.282 12.730 13.851 118.12 100.00 1.532 0.267 incorrect
T60_P10.M10 0.000 1.000 1.000 0.000 0.455 1.000 1274.1 31.821 12 32.302 13.698 16.031 103.76 100.00 1.637 0.720 incorrect
T60_P10.M04 0.000 1.000 0.833 0.000 0.546 1.000 1239.6 32.134 9 32.306 12.809 14.658 171.39 100.00 1.903 0.674 incorrect
T60_P11.M06 0.000 1.000 1.000 0.000 0.538 1.000 1438.9 32.124 8 32.332 12.791 14.150 105.92 100.00 1.591 0.252 incorrect
T60_P02.M05 0.000 1.000 1.000 0.136 0.538 0.927 1822.6 32.003 8 32.334 12.832 14.155 161.15 100.00 1.730 0.704 incorrect
T60_P11.M01 0.000 1.000 1.000 0.000 0.538 1.000 1740.4 32.142 9 32.338 12.799 14.248 99.71 100.00 1.564 0.148 incorrect
T60_P29.M07 0.000 1.000 0.833 0.091 0.615 0.931 1510.8 30.594 11 32.362 14.311 16.696 158.85 100.00 2.051 3.174 incorrect
T60_P11.M03 0.000 1.000 1.000 0.000 0.538 1.000 1659.9 32.174 10 32.381 12.802 14.311 102.00 100.00 1.665 0.249 incorrect
T60_P13.M03 0.000 1.000 0.833 0.000 0.583 1.000 1356.8 32.119 19 32.381 12.862 14.131 35.13 100.00 3.173 0.509 incorrect
T60_P33.M08 0.000 1.000 1.000 0.045 0.600 0.978 1904.8 32.171 18 32.381 12.793 14.370 111.45 97.89 1.536 0.455 incorrect
T60_P11.M07 0.000 1.000 1.000 0.000 0.538 1.000 1711.8 32.191 14 32.385 12.828 14.490 97.05 100.00 1.475 0.148 incorrect
T60_P49.M05 0.000 1.000 0.833 0.000 0.546 1.000 1194.9 32.126 4 32.387 13.205 14.694 80.84 100.00 3.176 0.236 incorrect
T60_P11.M10 0.000 1.000 1.000 0.045 0.538 0.972 1718.9 32.172 11 32.405 12.797 14.305 103.99 100.00 1.587 0.252 incorrect
T60_P11.M02 0.000 1.000 1.000 0.000 0.538 1.000 1695.9 32.230 11 32.432 12.817 14.511 94.99 100.00 1.554 0.148 incorrect
T60_P42.M06 0.000 1.000 0.833 0.000 0.583 1.000 1534.7 32.237 11 32.432 12.759 14.724 125.05 100.00 1.626 0.292 incorrect
T60_P33.M05 0.000 1.000 1.000 0.000 0.600 1.000 1957.8 32.240 22 32.440 12.839 14.423 107.45 97.89 1.535 0.340 incorrect
T60_P39.M10 0.000 1.000 1.000 0.000 0.571 1.000 1601.9 32.245 18 32.455 12.903 14.161 101.06 100.00 1.491 0.260 incorrect
T60_P11.M04 0.000 1.000 1.000 0.000 0.538 1.000 1713.0 32.267 9 32.470 12.835 14.285 98.24 100.00 1.629 0.148 incorrect
T60_P42.M01 0.000 1.000 1.000 0.000 0.600 1.000 1748.9 32.275 14 32.495 12.887 14.228 103.52 100.00 1.326 0.292 incorrect
T60_P11.M09 0.000 1.000 1.000 0.000 0.600 1.000 1677.2 32.235 16 32.497 12.830 14.529 117.55 100.00 1.452 0.252 incorrect
T60_P24.M08 0.000 1.000 1.000 0.000 0.600 1.000 2038.3 32.368 13 32.558 12.969 14.796 100.85 100.00 1.291 0.269 incorrect
T60_P09.M09 0.000 1.000 1.000 0.000 0.538 1.000 1454.7 32.333 14 32.571 12.869 14.612 109.33 100.00 1.744 0.324 incorrect
T60_P33.M06 0.000 1.000 1.000 0.045 0.600 0.976 1805.3 32.376 22 32.587 12.943 14.466 111.22 97.89 1.521 0.250 incorrect
T60_P09.M10 0.000 1.000 1.000 0.091 0.571 0.950 1717.7 32.350 16 32.588 12.885 14.606 110.37 100.00 1.661 0.324 incorrect
T60_P24.M04 0.000 1.000 1.000 0.000 0.600 1.000 1920.5 32.400 16 32.592 12.974 14.673 106.70 100.00 1.262 0.269 incorrect
T60_P24.M05 0.000 1.000 1.000 0.000 0.600 1.000 1975.6 32.397 13 32.596 12.968 14.803 103.55 100.00 1.318 0.269 incorrect
T60_P24.M01 0.000 1.000 1.000 0.000 0.600 1.000 1991.8 32.405 13 32.597 12.972 14.257 103.01 100.00 1.353 0.269 incorrect
T60_P24.M07 0.000 1.000 1.000 0.000 0.600 1.000 1959.7 32.436 18 32.612 12.954 14.680 96.76 100.00 1.441 0.269 incorrect
T60_P24.M06 0.000 1.000 1.000 0.000 0.600 1.000 1939.8 32.478 14 32.655 12.965 14.247 92.05 100.00 1.515 0.269 incorrect
T60_P08.M05 0.000 1.000 1.000 0.045 0.538 0.974 1803.2 32.451 15 32.692 12.913 14.543 107.83 100.00 1.796 0.284 incorrect
T60_P24.M03 0.000 1.000 1.000 0.000 0.600 1.000 1923.9 32.485 12 32.703 12.966 14.807 115.78 100.00 1.508 0.269 incorrect
T60_P24.M02 0.000 1.000 1.000 0.000 0.600 1.000 1959.2 32.542 15 32.723 12.977 14.501 91.23 100.00 1.578 0.269 incorrect
T60_P08.M09 0.000 1.000 1.000 0.000 0.600 1.000 2011.9 32.511 19 32.757 12.953 14.577 109.58 100.00 1.579 0.352 incorrect
T60_P08.M01 0.000 1.000 1.000 0.045 0.538 0.973 1739.0 32.506 17 32.762 12.902 14.520 110.10 100.00 1.895 0.302 incorrect
T60_P30.M01 0.000 1.000 1.000 0.045 0.600 0.972 1684.6 32.632 17 32.919 12.958 14.633 105.79 100.00 1.940 0.249 incorrect
T60_P43.M08 0.000 1.000 1.000 0.000 0.600 1.000 2068.7 32.365 11 32.935 12.892 14.443 76.51 99.77 1.681 0.291 incorrect
T60_P39.M02 0.000 1.000 1.000 0.045 0.538 0.967 1414.1 32.780 7 33.114 12.859 13.980 98.26 100.00 1.814 0.249 incorrect
T60_P49.M02 0.000 1.000 1.000 0.045 0.600 0.975 1806.9 32.997 7 33.262 13.127 14.437 103.88 100.00 1.727 0.516 incorrect
T60_P10.M07 0.000 1.000 0.833 0.000 0.615 1.000 1342.2 32.926 9 33.354 13.955 15.634 69.83 100.00 3.362 0.715 incorrect
T60_P39.M05 0.000 1.000 0.833 0.000 0.643 1.000 1279.8 32.974 10 33.599 13.774 15.756 161.47 100.00 3.427 0.249 incorrect
T60_P19.M04 0.000 1.000 1.000 0.000 0.571 1.000 1542.4 32.323 17 33.820 13.289 14.273 141.18 100.00 1.849 0.360 incorrect
T60_P14.M03 0.000 1.000 0.833 0.000 0.546 1.000 1019.0 33.551 3 33.964 13.806 15.736 80.34 100.00 3.047 0.246 incorrect
T60_P13.M05 0.000 1.000 0.833 0.000 0.615 1.000 1426.4 33.653 21 34.014 13.856 16.433 64.29 100.00 3.378 0.526 incorrect
T60_P14.M05 0.000 1.000 0.833 0.000 0.546 1.000 1213.4 33.237 5 34.172 14.343 17.372 142.42 100.00 3.066 0.258 incorrect
T60_P27.M07 0.000 1.000 0.833 0.000 0.546 1.000 1213.4 33.237 5 34.172 14.343 17.372 142.42 100.00 3.066 0.258 incorrect
T60_P10.M06 0.000 1.000 0.667 0.000 0.667 1.000 1153.0 33.259 4 34.213 13.209 14.626 173.90 100.00 1.395 0.652 incorrect
T60_P10.M05 0.000 1.000 0.667 0.000 0.667 1.000 1469.5 33.571 6 34.455 13.445 15.520 159.84 100.00 3.398 0.678 incorrect
T60_P02.M07 0.000 1.000 1.000 0.000 0.500 1.000 1555.3 33.976 8 34.465 13.729 15.642 157.05 100.00 1.853 0.634 incorrect
T60_P46.M06 0.000 1.000 1.000 0.000 0.538 1.000 1495.1 34.564 15 34.748 13.829 15.984 79.72 100.00 1.733 0.250 incorrect
T60_P46.M07 0.000 1.000 1.000 0.000 0.571 1.000 1609.2 34.646 14 34.825 13.858 16.050 76.72 100.00 1.743 0.249 incorrect
T60_P46.M09 0.000 1.000 1.000 0.000 0.571 1.000 1440.2 34.709 13 34.886 13.879 16.089 78.06 100.00 1.746 0.249 incorrect
T60_P46.M08 0.000 1.000 1.000 0.000 0.571 1.000 1568.1 34.707 16 34.904 13.887 16.101 79.09 100.00 1.735 0.250 incorrect
T60_P14.M08 0.000 1.000 0.833 0.000 0.546 1.000 1195.0 34.588 5 34.968 14.635 16.612 98.31 100.00 3.186 0.243 incorrect
T60_P27.M09 0.000 1.000 0.833 0.000 0.546 1.000 1195.0 34.588 5 34.968 14.635 16.612 98.31 100.00 3.186 0.243 incorrect
T60_P42.M04 0.000 1.000 1.000 0.000 0.571 1.000 1630.6 34.526 10 35.004 13.928 15.659 140.72 100.00 1.340 0.292 incorrect
T60_P12.M08 0.000 1.000 1.000 0.000 0.571 1.000 1498.1 34.806 5 35.037 14.007 15.505 130.59 100.00 1.798 0.312 incorrect
T60_P46.M10 0.000 1.000 1.000 0.000 0.571 1.000 1530.6 34.879 9 35.115 13.989 16.137 84.40 100.00 1.733 0.249 incorrect
T60_P12.M10 0.000 1.000 1.000 0.000 0.571 1.000 1851.1 34.907 2 35.159 14.114 16.071 151.43 100.00 1.764 0.299 incorrect
T60_P09.M02 0.000 1.000 1.000 0.000 0.538 1.000 1621.2 34.908 19 35.164 13.995 15.616 136.47 100.00 1.805 0.327 incorrect
T60_P09.M03 0.000 1.000 1.000 0.000 0.500 1.000 1667.9 34.914 17 35.194 14.029 15.926 158.10 100.00 1.925 0.325 incorrect
T60_P21.M04 0.000 1.000 0.833 0.000 0.546 1.000 1085.3 34.086 2 35.338 15.133 17.016 150.33 100.00 1.134 0.222 incorrect
T60_P09.M01 0.000 1.000 1.000 0.000 0.600 1.000 2022.3 35.086 18 35.366 14.073 16.090 138.46 100.00 1.778 0.333 incorrect
T60_P49.M10 0.000 1.000 0.833 0.000 0.643 1.000 1256.7 34.879 4 35.495 14.874 17.587 137.96 100.00 3.198 0.238 incorrect
T60_P14.M01 0.000 1.000 1.000 0.000 0.538 1.000 1487.5 35.132 8 35.555 14.943 16.813 85.30 100.00 3.032 0.252 incorrect
T60_P14.M07 0.000 1.000 1.000 0.000 0.455 1.000 1310.9 35.057 9 35.573 14.993 17.251 97.39 100.00 3.067 0.252 incorrect
T60_P27.M08 0.000 1.000 1.000 0.000 0.455 1.000 1310.9 35.057 9 35.573 14.993 17.251 97.39 100.00 3.067 0.252 incorrect
T60_P39.M09 0.000 1.000 0.833 0.000 0.583 1.000 1164.9 34.953 8 35.622 14.459 16.445 135.68 100.00 2.986 0.249 incorrect
T60_P10.M02 0.000 1.000 0.667 0.000 0.556 1.000 903.1 34.911 1 35.671 14.072 16.037 167.77 100.00 3.333 0.710 incorrect
T60_P19.M03 0.000 1.000 1.000 0.000 0.571 1.000 1667.4 34.940 25 35.824 14.270 15.754 132.02 100.00 1.680 0.360 incorrect
T60_P20.M09 0.000 1.000 1.000 0.045 0.538 0.973 1636.8 35.584 22 35.826 14.108 15.986 61.32 100.00 2.048 0.250 incorrect
T60_P49.M06 0.000 1.000 1.000 0.000 0.500 1.000 1321.0 35.029 8 35.829 15.138 18.267 134.56 100.00 2.810 0.247 incorrect
T60_P21.M06 0.000 1.000 1.000 0.000 0.538 1.000 1387.8 35.273 4 36.148 15.545 18.101 100.41 100.00 1.223 0.226 incorrect
T60_P13.M06 0.000 1.000 1.000 0.000 0.571 1.000 1649.3 36.626 16 37.506 14.856 16.749 159.42 100.00 1.645 0.496 incorrect
T60_P09.M07 0.000 1.000 1.000 0.000 0.600 1.000 1939.8 37.305 21 37.677 15.049 17.610 178.54 100.00 1.383 0.327 incorrect
T60_P09.M08 0.000 1.000 1.000 0.000 0.571 1.000 1635.5 37.465 16 37.836 15.084 17.837 177.99 100.00 1.543 0.324 incorrect
T60_P02.M09 0.000 1.000 1.000 0.000 0.538 1.000 1639.0 37.687 8 38.059 15.111 17.546 116.71 100.00 1.960 0.691 incorrect
T60_P19.M10 0.000 1.000 1.000 0.000 0.600 1.000 1625.5 38.117 13 38.234 15.050 17.591 90.93 100.00 1.539 0.360 incorrect
T60_P21.M07 0.000 1.000 0.833 0.000 0.546 1.000 1319.1 37.901 6 38.614 15.409 16.792 104.61 100.00 1.181 0.234 incorrect
T60_P30.M02 0.000 1.000 1.000 0.000 0.571 1.000 1701.9 38.924 9 39.180 15.481 17.748 136.18 100.00 1.904 0.249 incorrect
T60_P13.M01 0.000 1.000 1.000 0.000 0.600 1.000 1341.7 39.295 17 40.003 16.342 19.033 179.45 100.00 1.339 0.500 incorrect
T60_P49.M09 0.000 1.000 0.833 0.000 0.546 1.000 1337.8 39.871 5 40.009 16.026 17.299 41.52 100.00 2.908 0.236 incorrect
T60_P49.M08 0.000 1.000 1.000 0.000 0.600 1.000 1592.9 40.345 2 41.238 17.465 20.073 141.84 100.00 1.776 0.231 incorrect
T60_P14.M09 0.000 1.000 0.833 0.000 0.546 1.000 1359.6 41.504 4 41.632 16.978 18.924 79.94 100.00 3.029 0.252 incorrect
T60_P27.M10 0.000 1.000 0.833 0.000 0.546 1.000 1359.6 41.504 4 41.632 16.978 18.924 79.94 100.00 3.029 0.252 incorrect
T60_P49.M03 0.000 1.000 1.000 0.000 0.571 1.000 1538.4 40.990 2 41.885 17.720 20.404 147.06 100.00 1.703 0.243 incorrect
T60_P21.M09 0.000 1.000 1.000 0.000 0.500 1.000 1478.9 43.158 5 43.575 17.320 19.888 175.67 100.00 1.166 0.225 incorrect
T60_P21.M01 0.000 1.000 1.000 0.000 0.571 1.000 1461.8 45.423 3 45.717 18.136 20.605 155.35 100.00 1.198 0.224 incorrect
T60_P49.M04 0.000 1.000 0.833 0.000 0.615 1.000 1460.8 45.497 4 45.797 18.163 20.613 155.31 100.00 1.236 0.233 incorrect
T60_P14.M04 0.000 1.000 1.000 0.000 0.500 1.000 1029.0 47.043 2 47.403 19.806 21.983 96.40 100.00 3.108 0.248 incorrect

Acceptable predictions 25, remaining 62 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)
T60_P04.M02 0.556 0.706 1.000 0.909 0.571 0.429 1972.7 0.771 9 2.183 1.023 2.708 33.23 100.00 1.580 0.249 acceptable
T60_P04.M08 0.500 0.591 1.000 0.818 0.400 0.379 1239.3 2.002 18 2.569 1.116 2.542 8.72 100.00 1.439 0.249 acceptable
T60_P41.M03 0.556 0.744 0.833 0.954 0.643 0.400 1677.3 1.909 17 2.694 1.175 1.898 25.56 100.00 1.690 0.249 acceptable
T60_P36.M04 0.833 0.674 1.000 0.909 0.600 0.444 1825.0 1.742 18 2.785 1.041 2.932 66.04 100.00 1.629 0.247 acceptable
T60_P04.M06 0.333 0.778 1.000 0.773 0.538 0.469 1527.9 1.428 12 2.801 1.159 3.143 22.95 100.00 1.476 0.249 acceptable
T60_P04.M07 0.278 0.773 1.000 0.727 0.538 0.484 1473.5 1.409 14 2.827 1.243 3.307 21.67 100.00 1.471 0.249 acceptable
T60_P41.M10 0.722 0.691 1.000 0.909 0.600 0.429 1824.2 1.906 15 2.835 1.008 1.963 12.24 100.00 1.793 0.249 acceptable
T60_P04.M09 0.333 0.571 1.000 0.864 0.400 0.345 1232.2 2.289 5 2.852 1.216 2.960 23.37 100.00 1.473 0.249 acceptable
T60_P42.M10 0.667 0.613 1.000 0.909 0.571 0.394 1620.3 1.927 8 2.908 1.001 3.337 21.00 100.00 1.261 0.276 acceptable
T60_P01.M08 0.833 0.694 1.000 0.954 0.571 0.523 2010.9 1.572 10 3.108 1.058 2.783 46.44 100.00 1.853 0.678 acceptable
T60_P15.M09 0.722 0.797 1.000 0.909 0.600 0.583 2169.9 1.452 20 3.262 1.090 2.988 107.18 100.00 1.784 0.905 acceptable
T60_P33.M03 0.278 0.848 1.000 0.864 0.538 0.500 1711.1 2.564 14 3.659 1.470 4.759 144.56 97.89 1.549 0.530 acceptable
T60_P12.M09 0.278 0.872 1.000 0.909 0.538 0.394 1666.2 2.399 4 3.768 1.433 4.900 171.87 100.00 1.689 0.334 acceptable
T60_P12.M07 0.333 0.714 1.000 0.727 0.455 0.407 1177.1 2.402 12 3.834 1.421 4.825 176.43 100.00 1.654 0.303 acceptable
T60_P33.M01 0.333 0.800 1.000 0.864 0.571 0.441 1615.8 2.490 8 3.862 1.498 4.586 141.82 97.89 1.800 0.360 acceptable
T60_P33.M04 0.333 0.838 1.000 0.909 0.571 0.444 1711.7 2.501 9 3.879 1.491 4.611 141.46 97.89 1.835 0.403 acceptable
T60_P42.M09 0.278 0.872 1.000 0.864 0.538 0.441 1765.5 2.630 13 4.241 1.626 5.418 150.88 100.00 1.725 0.237 acceptable
T60_P02.M04 0.278 0.889 1.000 0.954 0.600 0.475 1854.1 4.262 14 5.019 1.944 4.848 132.81 100.00 1.429 0.799 acceptable
T60_P02.M08 0.278 0.884 1.000 0.954 0.600 0.447 1763.7 4.262 5 5.019 1.944 4.907 132.80 100.00 1.429 0.799 acceptable
T60_P26.M05 0.333 0.838 1.000 0.909 0.571 0.429 1623.5 4.250 10 5.057 1.796 4.899 109.80 100.00 1.892 0.258 acceptable
T60_P26.M03 0.333 0.838 1.000 0.864 0.571 0.486 1730.8 4.295 13 5.173 1.859 4.635 142.85 100.00 1.770 0.228 acceptable
T60_P26.M09 0.278 0.833 1.000 0.909 0.571 0.459 1593.2 4.227 12 5.217 1.928 4.787 156.47 100.00 1.719 0.258 acceptable
T60_P26.M01 0.444 0.771 1.000 0.909 0.571 0.487 1771.7 4.159 14 5.227 1.810 4.501 151.45 100.00 1.688 0.258 acceptable
T60_P42.M08 0.278 0.857 1.000 0.818 0.500 0.486 1580.8 4.404 9 5.323 1.754 5.115 169.26 100.00 1.658 0.237 acceptable
T60_P26.M02 0.222 0.882 1.000 0.954 0.571 0.488 1801.4 4.261 15 5.370 1.933 4.756 160.38 100.00 1.528 0.227 acceptable

Medium predictions 59, remaining 3 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)
T60_P38.M08 0.667 0.556 1.000 0.954 0.571 0.323 1443.0 1.171 15 1.363 0.549 2.034 6.36 100.00 0.646 0.285 medium
T60_P19.M05 0.889 0.619 1.000 0.909 0.600 0.500 1894.0 0.496 25 1.411 0.540 1.454 10.78 100.00 1.292 0.360 medium
T60_P36.M07 0.889 0.644 0.833 0.909 0.643 0.394 1797.5 0.404 15 1.533 0.592 1.430 8.37 100.00 1.469 0.247 medium
T60_P24.M09 0.778 0.588 0.833 1.000 0.615 0.312 1533.2 0.605 5 1.538 0.629 2.076 8.86 100.00 1.342 0.269 medium
T60_P38.M06 0.833 0.423 1.000 0.954 0.455 0.276 1339.9 1.291 16 1.544 0.552 1.850 23.48 100.00 0.644 0.285 medium
T60_P24.M10 0.722 0.618 0.833 1.000 0.615 0.371 1619.9 0.416 8 1.551 0.690 2.762 9.71 100.00 1.232 0.269 medium
T60_P38.M07 0.667 0.586 0.833 0.954 0.615 0.364 1624.6 1.108 17 1.552 0.652 1.705 4.89 100.00 1.061 0.285 medium
T60_P36.M09 0.889 0.610 0.833 0.909 0.643 0.355 1731.7 0.381 14 1.553 0.617 1.454 10.15 100.00 1.484 0.247 medium
T60_P49.M01 0.944 0.653 1.000 0.954 0.600 0.462 1818.2 0.593 15 1.636 0.703 1.853 3.92 99.77 1.493 0.610 medium
T60_P20.M03 0.500 0.550 0.833 0.954 0.583 0.364 1343.0 0.475 10 1.640 0.589 2.564 20.97 100.00 1.312 0.250 medium
T60_P20.M10 0.500 0.700 1.000 0.954 0.538 0.462 1620.3 0.424 16 1.918 0.589 2.564 34.18 100.00 1.400 0.250 medium
T60_P36.M06 0.889 0.636 0.833 0.909 0.615 0.412 1772.0 0.657 12 1.928 0.860 1.746 28.27 100.00 1.668 0.247 medium
T60_P36.M01 0.944 0.514 1.000 0.909 0.538 0.310 1563.9 0.513 12 1.953 0.587 1.656 3.52 100.00 1.862 0.247 medium
T60_P36.M08 0.944 0.564 1.000 0.909 0.538 0.333 1606.8 0.656 11 1.986 0.555 1.650 4.93 100.00 1.833 0.247 medium
T60_P06.M06 0.889 0.556 1.000 0.954 0.571 0.382 1802.9 0.394 6 1.988 0.669 1.933 22.60 100.00 1.312 0.405 medium
T60_P02.M02 0.667 0.733 1.000 0.909 0.538 0.487 1781.5 0.495 12 2.049 0.952 2.701 20.82 100.00 1.897 0.646 medium
T60_P06.M02 0.944 0.500 1.000 0.864 0.571 0.441 1768.7 1.209 7 2.049 0.550 2.137 19.31 100.00 1.210 0.332 medium
T60_P36.M05 0.889 0.673 1.000 0.909 0.600 0.412 1902.1 1.010 11 2.116 0.552 2.072 27.29 100.00 1.683 0.247 medium
T60_P06.M10 0.833 0.615 1.000 0.954 0.571 0.400 1780.7 1.042 7 2.137 0.615 1.782 16.07 100.00 1.231 0.444 medium
T60_P02.M06 0.833 0.659 1.000 0.909 0.538 0.474 1782.2 0.885 15 2.142 0.781 2.048 12.94 100.00 1.770 0.626 medium
T60_P06.M04 0.889 0.543 1.000 0.954 0.455 0.344 1544.3 0.626 5 2.146 0.669 2.407 20.68 100.00 1.294 0.339 medium
T60_P38.M04 0.778 0.440 1.000 0.954 0.571 0.323 1522.8 1.498 14 2.147 0.783 1.858 17.82 100.00 1.454 0.285 medium
T60_P04.M03 0.611 0.744 1.000 0.909 0.571 0.444 2007.7 0.279 8 2.149 0.806 2.751 24.08 100.00 1.558 0.249 medium
T60_P06.M07 0.833 0.583 0.833 0.909 0.615 0.429 1734.2 0.906 6 2.149 0.755 1.768 16.77 100.00 1.458 0.325 medium
T60_P06.M01 0.889 0.556 1.000 0.909 0.538 0.394 1630.3 0.840 5 2.170 0.655 1.950 30.76 100.00 1.275 0.451 medium
T60_P06.M09 0.944 0.452 1.000 0.818 0.500 0.400 1478.5 0.783 5 2.182 0.762 2.336 17.46 100.00 1.343 0.307 medium
T60_P36.M02 0.944 0.564 1.000 0.909 0.500 0.333 1594.2 0.696 12 2.224 0.827 1.954 36.62 100.00 2.024 0.247 medium
T60_P06.M03 0.944 0.540 1.000 0.909 0.538 0.487 1852.1 1.453 7 2.234 0.569 2.164 16.19 100.00 1.313 0.328 medium
T60_P06.M05 0.889 0.579 1.000 0.954 0.571 0.447 1907.0 0.878 8 2.235 0.680 1.965 22.09 100.00 1.306 0.349 medium
T60_P41.M07 0.833 0.605 0.833 0.773 0.643 0.452 1739.3 1.593 18 2.417 0.793 1.818 23.74 100.00 1.394 0.249 medium
T60_P38.M09 0.556 0.546 1.000 0.818 0.538 0.379 1260.9 1.677 16 2.419 0.829 2.407 32.08 100.00 1.576 0.285 medium
T60_P36.M03 0.889 0.667 1.000 0.909 0.571 0.459 1962.6 1.077 11 2.429 0.818 2.254 10.14 100.00 1.995 0.247 medium
T60_P38.M10 0.611 0.621 1.000 0.909 0.571 0.394 1531.8 1.533 17 2.433 0.738 2.003 30.45 100.00 1.654 0.285 medium
T60_P41.M08 0.833 0.605 1.000 0.773 0.571 0.500 1790.8 1.581 15 2.469 0.851 1.972 24.87 100.00 1.418 0.249 medium
T60_P41.M04 0.778 0.674 0.833 0.818 0.643 0.455 1804.2 1.576 19 2.471 0.831 1.519 24.17 100.00 1.442 0.249 medium
T60_P41.M09 0.722 0.658 0.833 0.773 0.615 0.452 1798.3 1.600 18 2.498 0.820 1.787 24.05 100.00 1.466 0.249 medium
T60_P04.M01 0.833 0.651 1.000 0.864 0.571 0.500 1888.9 1.633 10 2.508 0.819 2.017 37.72 100.00 1.541 0.249 medium
T60_P08.M10 0.833 0.667 1.000 0.909 0.600 0.459 1910.0 1.577 16 2.554 0.866 1.722 36.33 100.00 1.581 0.397 medium
T60_P41.M05 0.722 0.649 0.833 0.773 0.643 0.469 1776.9 1.663 20 2.579 0.887 1.933 25.16 100.00 1.384 0.249 medium
T60_P01.M01 0.722 0.594 1.000 0.954 0.538 0.447 1860.8 0.481 6 2.597 0.750 2.073 129.20 100.00 2.199 2.158 medium
T60_P08.M02 0.722 0.675 1.000 0.909 0.600 0.459 1870.4 1.550 14 2.609 0.883 1.976 37.50 100.00 1.650 0.403 medium
T60_P08.M08 0.833 0.674 1.000 0.909 0.600 0.487 1889.1 1.644 14 2.611 0.897 1.772 37.69 100.00 1.569 0.402 medium
T60_P38.M02 0.667 0.520 1.000 0.954 0.538 0.344 1541.1 1.857 14 2.640 0.888 2.077 41.14 100.00 1.592 0.285 medium
T60_P38.M01 0.667 0.625 1.000 0.954 0.571 0.382 1789.9 1.613 18 2.649 0.856 2.294 25.06 100.00 1.958 0.285 medium
T60_P41.M02 0.778 0.622 0.833 0.773 0.643 0.485 1805.4 1.764 20 2.679 0.904 1.900 25.49 100.00 1.498 0.249 medium
T60_P04.M04 0.667 0.613 1.000 0.909 0.538 0.444 1685.4 1.961 18 2.700 0.779 2.045 31.79 100.00 1.205 0.249 medium
T60_P36.M10 0.833 0.700 1.000 0.909 0.600 0.459 2083.3 1.753 17 2.710 0.791 2.166 17.72 100.00 1.723 0.249 medium
T60_P41.M01 0.833 0.700 1.000 0.909 0.600 0.459 2083.3 1.753 17 2.710 0.791 2.166 17.72 100.00 1.723 0.249 medium
T60_P38.M03 0.667 0.500 1.000 0.954 0.500 0.364 1446.4 2.016 15 2.744 0.943 2.015 32.38 100.00 1.548 0.285 medium
T60_P41.M06 0.778 0.641 0.833 0.818 0.643 0.471 1827.4 1.751 18 2.751 0.964 1.799 24.28 100.00 1.521 0.249 medium
T60_P38.M05 0.667 0.500 1.000 0.909 0.600 0.355 1544.8 2.139 14 2.867 0.933 2.009 42.67 100.00 1.372 0.285 medium
T60_P01.M03 0.833 0.643 1.000 0.954 0.600 0.488 2007.2 1.705 13 3.020 0.629 2.007 45.43 100.00 2.081 0.678 medium
T60_P01.M04 0.889 0.636 1.000 1.000 0.600 0.436 2013.5 1.871 13 3.127 0.613 1.978 43.42 100.00 1.992 0.678 medium
T60_P01.M05 0.889 0.636 1.000 0.954 0.600 0.432 1964.4 1.851 14 3.130 0.615 2.005 47.83 100.00 1.982 0.678 medium
T60_P01.M06 0.944 0.595 1.000 1.000 0.600 0.463 1921.2 1.783 9 3.140 0.647 2.128 44.12 100.00 2.052 0.678 medium
T60_P01.M10 0.833 0.595 1.000 0.954 0.600 0.447 1930.3 1.950 9 3.186 0.657 1.527 42.09 100.00 1.926 0.678 medium
T60_P01.M02 0.889 0.610 1.000 1.000 0.600 0.436 2008.9 1.977 13 3.310 0.631 1.997 54.79 100.00 2.056 0.678 medium
T60_P01.M07 0.889 0.543 1.000 0.909 0.600 0.429 1761.1 2.291 8 3.621 0.810 1.923 54.88 100.00 2.007 0.678 medium
T60_P01.M09 0.722 0.552 1.000 0.818 0.600 0.500 1944.0 2.599 5 3.937 0.911 1.988 64.15 100.00 2.051 0.678 medium

High quality predictions 6, 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_60_xray 1.000 0.000 1.000 1.000 0.000 0.000 929.3 0.000 7 0.000 0.000 0.000 0.00 100.00 0.000 0.000 high
interface 1.000 0.053 1.000 0.909 0.000 0.048 944.1 0.061 20 0.078 0.170 0.579 0.76 100.00 0.000 0.249 high
unbound 1.000 0.053 1.000 0.909 0.000 0.048 944.1 0.061 20 0.078 0.170 0.579 0.76 100.00 0.000 0.249 high
T60_P08.M07 0.944 0.585 1.000 0.864 0.571 0.486 1914.3 0.601 12 1.714 0.439 1.559 20.98 100.00 1.191 0.310 high
T60_P08.M06 0.944 0.500 1.000 0.864 0.571 0.367 1649.0 0.676 11 1.765 0.458 1.629 20.93 100.00 1.225 0.306 high
T60_P06.M08 0.944 0.500 1.000 0.909 0.538 0.412 1757.6 1.199 6 2.026 0.482 1.981 17.75 100.00 1.311 0.449 high