Table 2.

TM helix orientation calculated from last 10 ns of restrained MD

	S1/M1	S1/M2	S2/M1	S2/M2	PDB: 2KSJ
TM helix tilt (deg)a	28.2 ± 1.7	29.2 ± 1.4	29.0 ± 1.3	29.4 ± 1.4	27.0 ± 1.2
TM helix rotation (deg)b	188.7 ± 11.9	185.5 ± 10.0	190.8 ± 8.4	190.8 ± 8.6	192.1 ± 13.2

^aDefined as the angle between the helix principal axis and the lipid bilayer normal.

^bDefined as the angle between the perpendicular vector (r_s) from the helical axis to G28 Cα atom and the projection vector (z_p) of the z axis onto the plane made by the second and third principal axes. The sign of the rotational angle becomes positive if z_p × r_s is in the opposite direction to the helical axis, or negative otherwise (41).