Figure 16.1.3   Examples of mutant affinity predictions

Solid lines are y=x. Lines of best-fit (dashes) are shown for systems that deviate systematically from the model.
Outliers due to steric clashes (defined in CLASH) are not shown. Outliers due to other reasons are shown as open circles.
All data, including outliers, are available [download data]. Since they are systematically underestimated, mutants of barnase:barstar were not included in the overall statistical analysis (Figure 16.1.2). The reasons for the systematic error are not clear. One factor may be the extensive hydration of this interface. Since other hydrated interfaces, such as TEM1:BLIP (b), were predicted correctly, there may be other complications.