Example showing how conformational diversity affects ΔΔG estimation and MCC values. The protein fructose-biphosphate aldolase B (P05062) is shown in the example. Two conformers were found for this protein with a RMSD = 1.3 A. At the top of the figure there are cartoon representations of the two conformers with the mutated amino acids represented in stick (in yellow). Bars graphics represent ΔΔG values (red for disease associated mutations and blue for neutral mutations) and finally the corresponding MCC for each conformer. Black arrows indicate wrong predictions based in the reference interval of ±2kcal/mol. As structural changes produce variations in ΔΔG the different conformers have different MCC values.
Juritz et al. BMC Genomics 2012 13(Suppl 4):S5 doi:10.1186/1471-2164-13-S4-S5