Table 3. Orientation factors (κ²/r⁶ values in nm⁻⁶) of the tryptophans to the haem and to MAMC, and of MAMC to the haem, in the CYP2D6 homology model obtained from MD simulations.

*Both dipole directions added.

	κ2/r6 (nm−6)
	Haem*		Haem*
	(MAMC present)		(no MAMC present)		MAMC
	Average	R.M.S.D.	Average	R.M.S.D.	Average	R.M.S.D.
W75	0.007	0.004	0.022	0.011	0.005	0.005
W128	0.330	0.192	0.362	0.145	0.079	0.048
W152	0.048	0.025	0.036	0.016	0.002	0.002
W262	0.002	0.002	0.003	0.003	0.001	0.000
W316	0.069	0.022	0.083	0.019	0.009	0.006
W409	0.017	0.013	0.029	0.011	0.003	0.003
MAMC	7.289	6.365