A Novel Index of Contact Frequency from Noise Protein-Protein Interaction Data Help for Accurate Interface Residue Pair Prediction.

Protein-protein interactions are important for most biological processes and have been studied for decades. However, the detailed formation mechanism of protein-protein interaction interface is still ambiguous, which makes it difficult to accurately predict the protein-protein interaction interface residue pairs. Here, we extract the interface residue-residue contacts from the decoys in the ZDOCK protein-protein complex decoy set with RMSD mostly larger than 3 Å. To accurately compute the interface residue-residue contacts, we define a new constant called interface residue pairs frequency, which counts the atom contact numbers between two interface residues. We normalize interface residue pairs frequency to pick out the top residue-residue pairs from all the possible pairs preferential to be on correct protein-protein interaction interface. When tested on 37 protein dimers from the decoy set where most decoys are incorrect, our method successfully predicts 30 protein dimers with a success rate of up to 81.1%. Higher accuracy than some other state-of-the-art methods confirmed the performance of our method.