Table 1.
Relative Percentages (Calculated on the Best- Ranked Models) Of the Caspases Sites Involved in IL-1Ra Binding As Predicted by the Different Docking Programs Listed
| software | dimerization site | active site | other sites | |
|---|---|---|---|---|
| Casp-9/IL-1Ra | FFT based | |||
| ZDOCK | 53.2 | 29.6 | 17.2 | |
| ClusPro | 73.3 | 20.0 | 6.7 | |
| PyDock | 88.7 | 2.8 | 8.5 | |
| HDOCK | 61.0 | 15.5 | 23.5 | |
| geometric hashing | ||||
| PatchDock | 57.0 | 16.0 | 27.0 | |
| Casp-8/IL-1Ra | FFT based | |||
| ZDOCK | 58.6 | 1.8 | 39.6 | |
| ClusPro | 82.8 | 0.0 | 17.2 | |
| PyDock | 66.7 | 0.0 | 32.3 | |
| HDOCK | 44.5 | 19.7 | 35.8 | |
| geometric hashing | ||||
| PatchDock | 70.0 | 10.0 | 20.0 |