Fig. 6.

Mutation of lowest-scoring residues leaves cefotaxime drug resistance largely unaffected. As rendered in panel (A), the lowest-scoring residues and (B) the residues with closest to background mutual information in cefotaxime simulations (orange online) and meropenem simulations (yellow) were located outside the drug-binding pocket. As plotted in panel (C), none of near-background mutants (yellow) and one of the lowest scoring mutants (orange) showed a >2-fold decrease in drug resistance (Color version of this figure is available at Bioinformatics online.)