Table 1. Distance in Å in Crystal Structures (cryst) and Average Distance (ave) between Cα Atom Pairs During 100 ns MD Trajectories for WT and Mutant Flap+ (MT) Protease.

atom pair	WTcryst	MTcryst	Δcrystb	WTavea	MTavea	Δaveb
b25b50	14.60	14.16	0.44	14.27 ± 0.51	14.22 ± 0.48	0.05
a50a25	13.60	14.01	–0.41	14.15 ± 0.59	14.33 ± 0.55	–0.18
a25b50	12.69	12.74	–0.05	12.58 ± 0.51	12.67 ± 0.50	–0.09
a50b25	12.67	12.53	0.14	13.26 ± 0.74	13.34 ± 0.62	–0.08
a50b50	6.02	6.18	–0.16	6.16 ± 0.72	6.07 ± 0.58	0.08
a80b50	5.18	5.19	–0.01	5.84 ± 0.42	5.60 ± 0.53	0.24
a50b80	5.88	5.09	0.79	6.25 ± 0.67	6.04 ± 0.67	0.21
a80a50	11.06	11.32	–0.26	11.73 ± 0.88	11.41 ± 0.81	0.32
b80b50	11.82	11.26	0.55	12.26 ± 0.82	11.98 ± 0.78	0.27
a80b80	16.88	16.39	0.49	17.82 ± 0.92	17.27 ± 0.96	0.55

^aMean and standard deviation for distributions displayed in Figure 3.

^bΔ = WT – MT.