TABLE 3.

Best fit Ca-O distances and angles for the Ca²⁺-BR complex, obtained starting from the molecular dynamics model by Pardo et al. (1998) made by an Asp-85-Asp-212-3 H₂O cluster

Asp-85-Asp-212-3 H2O
	Asp-85		Asp-212
Group	O1	O2	O1	O2	W1	W2	W3
rCa-O (Ǻ)	2.31	3.36	2.22	2.37	2.25	2.36	2.29