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. 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 4.

Figure 4

Distribution in percent of distances in Å between the nitrogen atoms in the amino group of the K55 and K55′ side chain calculated over all 80 monomers during the 100 ns trajectories. Distribution data from the wild-type protease simulation are in blue, and from the Flap+ variant are in red.