Figure 3
From: Identification of hot-spot residues in protein-protein interactions by computational docking
Examples of hot-spot predictions. Selected complex examples: SEC3 super antigen/T-cell β-chain (A to C) and HEL/D1.3 IgG1 (D to F). (A, D) Experimental data: hot-spots in red (ΔΔG ≥ 1 kcal.mol-1); non hot-spots in blue (ΔΔG < 1 kcal.mol-1). Only residues with available experimental data have been shown with labels. L- and H- in IgG1 labels indicate residues belonging to the light and heavy antibody chain respectively. (B, E) Computer predictions. Residues predicted to be hot-spots (NIP ≥ 0.4) are shown in red; the remaining residues are shown in a scale from red to blue. Only residues with NIP ≥ 0.4 have been labelled. (C, F). Complex X-ray structures (PDB codes 1JCK and 1VFB, respectively). Receptor residues are coloured according to the NIP values. Ligand is represented as a grey ribbon.