Table 2. Distribution of interatomic distances between residues lining the S1 and S2 sites in cathepsin L, V, S and F in MD simulations.

All distances are given as mean values (± SD) calculated assuming normal distribution. Where multiple distinct populations were observed, ratios between population sizes are given in parentheses.

	Proximal pair		Distal pair
Cathepsin L	67Cα-162O	67Cα-162Cβ	68O-161O
	7.5 ± 0.2	9.6 ± 0.3	8.3 ± 0.5
Cathepsin V	67Cα-162O	67Cα-162Cβ	68O-161O
	7.4 ± 0.6	7.9 ± 0.5	7.1 ± 0.6
		9.7 ± 0.6
		(1: 10)
Cathepsin S	68Cα-163O	68Cα-163Cβ	69O-162O
	6.8 ± 1.0	7.8 ± 0.4	8.2 ± 0.7
		8.9 ± 1.0
		(1: 4.2)
Cathepsin F	65Cα-160O	65Cα-160Cβ	66O-159O
	3.9 ± 0.4	4.8 ± 0.6	6.2 ± 0.4
	6.0 ± 0.5	7.2 ± 0.5	7.4 ± 1.4
	(1: 11)	(1: 8)	(1: 1)