Table 7.
correlation (R2) | |||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
No. | set | no. of complexes | LISA | ITScore/SE20 | ITScore19 | PMF9912 | DrugScore15 | BLEEP52 | SMoG0116 | SCORE131 | SMOG53 |
1 | serine protease | 16 | 0.91 | 0.89 | 0.87 | 0.87 | 0.86 | 0.79 | 0.81 | 0.76 | 0.76 |
2 | metalloprotease | 15 | 0.93 | 0.71 | 0.71 | 0.58 | 0.70 | 0.59 | 0.64 | 0.41 | 0.58 |
3 | L-arabinose binding protein | 18 | 0.43 | 0.48 | 0.49 | 0.48 | 0.22 | 0.14 | 0.06 | 0.00 | 0.04 |
4 | endothiapepsin | 11 | 0.33 | 0.36 | 0.35 | 0.22 | 0.30 | 0.04 | 0.03 | 0.39 | 0.05 |
5 | others | 17 | 0.83 | 0.8 | 0.7 | 0.69 | 0.43 | 0.49 | 0.50 | 0.53 | 0.25 |
6 | sets 1–5 | 77 | 0.68 | 0.76 | 0.65 | 0.61 | n/a | 0.28 | 0.46 | 0.30 | 0.21 |
RMSD | |||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
No. | set | no. of complexes | LISA | ITScore/SE20 | ITScore19 | PMF9912 | DrugScore15 | BLEEP52 | SMoG0116 | SCORE131 | SMOG53 |
1 | serine protease | 16 | 0.97 | n/a | n/a | 0.96 | 0.95 | n/a | 1.09 | 1.39 | 1.34 |
2 | metalloprotease | 15 | 0.89 | n/a | n/a | 2.31 | 1.53 | n/a | 1.62 | 3.27 | 2.29 |
3 | L-arabinose binding protein | 18 | 1.87 | n/a | n/a | 0.86 | 0.75 | n/a | 0.8 | 69.7 | 4.06 |
4 | endothiapepsin | 11 | 1.81 | n/a | n/a | 1.89 | 0.94 | n/a | 1 | 1.26 | 4.18 |
5 | others | 17 | 1.66 | n/a | n/a | 1.56 | 1.85 | n/a | 1.63 | 2.21 | 4.05 |
6 | sets 1–5 | 77 | 1.42 | n/a | n/a | 1.84 | n/a | n/a | 1.69 | 3.47 | 4.43 |