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. Author manuscript; available in PMC: 2013 Jan 1.
Published in final edited form as: Proteins. 2011 Oct 31;80(1):111–125. doi: 10.1002/prot.23168

Table 5.

The Average Unsigned Error and Correlation Coefficient between the Calculated and Experimental ΔΔG values for the Different Structural Features

Type NMUT <|ΔΔGexp|> <|ΔΔGcalc|> < | error | > r
Alanine mutagenesis 385 1.53 1.46 0.78 0.72
Non-Alanine 437 1.70 1.68 0.85 0.73
Beta 310 2.07 2.05 0.87 0.73
Helix 217 1.60 1.60 0.79 0.76
Turn 90 1.10 1.03 0.84 0.54
Coil 202 1.20 1.21 0.76 0.67
Exposed 257 0.69 0.62 0.60 0.35
Buried 277 2.52 2.18 1.01 0.69

NMUT = number of residues;< |ΔΔGexp |>= average absolute experimental ΔΔG;< |ΔΔGcalc |>= average absolute calculated ΔΔG; <|error|>= average unsigned error (units of kcal/mol)