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Figure 3 | BMC Bioinformatics

Figure 3

From: Correlating protein function and stability through the analysis of single amino acid substitutions

Figure 3

Function prediction performance of FoldX predicted ddG (ΔΔG) and SNAP at various thresholds on PMD-foldx 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 -8 to 8. Peaks in the ΔΔG curves indicate that reasonable thresholds are -0.5 and 1.5 kcal/mol. Also indicated on the graph are the default SNAP prediction values (RI = 0; marked by X's). Note, that for higher RIs (left side of the graph), mutations are predicted more accurately.

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