Correlation errors for ln(kcat/Km) for TPI for (a) different protein structural models and (b) different specifications of the MIF comparison region. (a) The relative error of predicted ln(kcat/Km) values of protein structural models generated by 3 different modeling protocols (see Methods for details) as a function of radius R of the sphere of comparison (with error defined as in expression (3) of the Theory section). Calculations were done with a skin accessible to a probe of radius δ = 2 Å. (b) Relative error in correlation of protein structural models using the ''Turbo'' protocol in Modeller with different probe radii δ in Å (see Methods). The radius of the comparison region, R, is varied from 7.5 to 30 Å and it is centered on the atom L230O. The degree of correlation is described by the relative correlation error, formula (3).
Gabdoulline et al. BMC Bioinformatics 2007 8:373 doi:10.1186/1471-2105-8-373