Figure 4

Arbitrary docking has the power to predict native interfaces. A: Initial ROC curves obtained for all exposed residues in the target set of 198 proteins. In red, the number of docking hits after docking with the 314 compact probes is used as a predictor. In black, for comparison, the ROC curve obtained using hits generated with the random model shown in Figure 1B. The number of hits per exposed residue is normalized for each protein as described in the Method section. B: Optimization of the number and size of the probes, and the number of docking models per probe, to increase the AUC value. Top: varying the number of probes. Middle: varying the size of the compact probes. Bottom: varying the number of docking solutions. Bars with the same color correspond to AUC values that are statistically indistinguishable (p-val > 5%). C: Comparison with other methods, considering predictions obtained by arbitrary docking with the 25 shortest probes and the first 10 docking models. The combination of arbitrary docking hits with JET is detailed in the text.