Figure 1

Function prediction performance of ddG (ΔΔG) and SNAP at various thresholds on PMD-exp data set. We varied the threshold for identifying the mutation as functionally non-neutral from 0.01 to 4 kcal/mol (Methods) separately for both positive (ΔΔG > 0; destabilizing; filled squares) and negative (ΔΔG < 0; stabilizing; open squares) mutants. For SNAP the RI (reliability index) was similarly varied for destabilizing (filled circles) and stabilizing (open circles) mutations from -6 to 6. Peaks (marked by X's) in the ΔΔG curves indicate that reasonable thresholds are 0.5 and -0.5 kcal/mol. Also indicated on the graph are the default SNAP prediction values (RI = 0; marked by X's). Note, that for higher RI (e.g. RI = 3), destabilizing mutations are predicted more accurately.