Fig. 5

Energy differences of non-bonded interaction between protein and inhibitor in wildtype and mutant complexes. Residues, for which the difference (\(E_{MUT}-E_{WT}\)) between the wildtype and the mutant complexes is higher than the propagated error (SE) and its absolute value higher than 0.1 kcal/mol, are represented as a colored circle, where the color represents relative interaction energy and the size of the circle relates inversely to the standard error of the estimate. Residues’ 30 and 45 interactions are highlighted in green box