Comparison of different methods for the prediction of critical residues in protein interfaces using a BID derived dataset as described in Tuncbag et al. [18].


Predictions were performed using PCRPi [7] with an expert BN trained in a Ab+ dataset that does not include the crystal structure of the c2 fragment of streptococcal protein G in complex with the Fc domain of human Ig (PDB code 1fcc).


Values were obtained running FoldX [19] with default parameters and a ddGbinding cut-off of 2.0 Kcal.mol−1 (i.e. residues were considered critical if upon mutation to Ala, predicted ddGbinding≥2.0 Kcal.mol−1).


Precision, recall, and F1 score values taken from Tuncbag et al. [18].