Skip to main content
. Author manuscript; available in PMC: 2013 Oct 9.
Published in final edited form as: J Chem Theory Comput. 2012 Apr 17;8(10):3452–3462. doi: 10.1021/ct300076y

Figure 9.

Figure 9

Order parameters of backbone N-H bonds calculated from the 20 independent 100 ns MD simulation are shown in boxplot. Order parameters from NMR experiments are displayed as (A) black circles for WT protease, (B) squares for drug-resistant variant FLAP+.