Table 3.

Statistical analysis of simulation results from n = 8 independent simulations (errors are SEM)

Cell group	Distance tight state (nm)	Distance loose state (nm)	ΔG (kBT)	ΔΔG (kBT)
SNAP-25 wt	0.521 ± 0.007	0.671 ± 0.003	0.69 ± 0.33	0
SNAP-25 R198Q	0.539 ± 0.009	0.662 ± 0.005	1.16 ± 0.20	0.47 ± 0.38
	p = 0.14	p = 0.14	p = 0.25
SNAP-25 R198E	0.534 ± 0.005	0.665 ± 0.004	1.80 ± 0.25	1.11 ± 0.41
	p = 0.16	p = 0.19	p = 0.019
SNAP-25 K201Q	0.526 ± 0.009	0.669 ± 0.004	0.81 ± 0.31	0.12 ± 0.45
	p = 0.66	p = 0.66	p = 0.80
SNAP-25 K201E	0.533 ± 0008	0.671 ± 0.003	1.28 ± 0.34	0.59 ± 0.47
	p = 0.24	p = 0.90	p = 0.24
SNAP-25 L81A/M202A	0.525 ± 0.006	0.673 ± 0.005	1.07 ± 0.27	0.38 ± 0.43
	p = 0.67	p = 0.74	p = 0.39
SNAP-25 L78A/L81A/M202A	0.536 ± 0.009	0.680 ± 0.005	1.88 ± 0.30	1.19 ± 0.45
	p = 0.21	p = 0.15	p = 0.018
Syb2 L84A	0.513 ± 0.003	0.665 ± 0.004	1.25 ± 0.28	0.56 ± 0.43
	p = 0.14	p = 0.25	p = 0.22

ΔG is the difference in free energy between these positions. ΔΔG are the differences (ΔG_mutant − ΔG_wt). p-values indicate significance levels.