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Partner-Aware Prediction of Interacting Residues in Protein-Protein Complexes from Sequence Data

Figure 4

Binding site predictions mapped to the three-dimensional structure of Acetylcholinesterase in complex with Toxin F-VII Fasciculin-2 (PDB ID: 1MAH, chains A and F respectively in red and blue color cartoons).

The left and right images were drawn from the top-scoring 20 predictions from single-protein trained models (solid red) and pair-wise trained models (solid green), respectively. Many false positive cases observed in the single-protein trained model were eliminated in the pair-wise model. (The false positive rate in the selected 20 residues is 75% and 50% with an overall AUC of ROC being 60% and 82%, respectively. Predictions are made from the models trained by excluding this complex from the training data.)

Figure 4