Characterizing Changes in the Rate of Protein-Protein Dissociation upon Interface Mutation Using Hotspot Energy and Organization
Figure 2
Relationship of off-rate changes upon mutation with change in binding free energy and change in interface hotspot energy.
(A) The relationship between experimental values for Δlog10(koff) and ΔΔG for all the 713 mutations in the SKEMPI off-rate dataset. (B) The relationship between changes in interface hotspot energies, as predicted by RFSpot_KFC2 hotspot predictor, and change in Δlog10(koff) for all the 713 mutations in the SKEMPI off-rate dataset. Note that 50% of off-rate mutants in this dataset involve mutations to non-alanine residues and include multi-point mutants. In turn Int_HS_Energy characterizes these changes with the use of single-point alanine ΔΔGs as highlighted in Figure 1.