Fig. 3.

Pairwise positional symmetric uncertainty in CTX-M9:meropenem complexes. The top 0.25% of symmetric uncertainty pairs are rendered as brown lines on the protein structure in panel (A), with the matrix contoured at 0.1% intervals at 99.5% and above in panel (B) and insets showing drug interactions in panels (C) and (D). Similar to CTX-M9:cefotaxime, CTX-M9:meropenem simulations showed few interactions between the drug and enzyme or the drug-binding pocket and the rest of the enzyme (Color version of this figure is available at Bioinformatics online.)