Table 1 Statistics of pocket prediction results by both pocket prediction methods under different criteria
From: GPCR-BSD: a database of binding sites of human G-protein coupled receptors under diverse states
Prediction method | Structure type | Coverage > 70% | Jaccard index > 0.3 | Center distance < 5 Å | Both coverage and center distance criteria | Both coverage and Jaccard index criteria |
|---|---|---|---|---|---|---|
fpocket | Experimentally determined structure | 94/132 (71%) | 125/132 (95%) | 102/132 (77%) | 81/132 (61%) | 93/132 (70%) |
CavityPlus | Experimentally determined structure | 121/132 (92%) | 60/132 (45%) | 84/132 (64%) | 84/132 (64%) | 60/132 (45%) |
GHECOM | Experimentally determined structure | 130 (98%) | 21/132 (16%) | 40/132 (30%) | 40/132 (30%) | 21/132 (16%) |
fpocket | Predicted structure | 77/132 (58%) | 108/132 (82%) | 86/132 (65%) | 58/132 (44%) | 73/132 (55%) |
CavityPlus | Predicted structure | 105/132 (80%) | 47/132 (36%) | 53/132 (40%) | 49/132 (37%) | 42/132 (32%) |
GHECOM | Predicted structure | 118/132 (89%) | 28/132 (21%) | 20/132 (15%) | 19/132 (14%) | 26/132 (20%) |