TABLE 2.

Rearrangement of dihedral angles along the chromophore polyene chain, due to 11-cis rhodopsin/all-trans isomerization in rhodopsin, predicted by the ONIOM-EE (B3LYP/6-31G*:AMBER) level of theory

Dihedral angle	11-cis	all-trans	Δ
C5–C6–C7–C8	−44	−32	12
C1–C6–C7–C8	136	144	8
C6–C7–C8–C9	−172	−155	17
C7–C8–C9–C(methyl 1)	−10	−10	0
C7–C8–C9–C10	167	162	5
C8–C9–C10–C11	179	−152	29
C9–C10–C11–C12	173	171	2
C10–C11–C12–C13	−11	−161	150
C11–C12–C13–C14	166	−174	20
C11–C12–C13–C(methyl 2)	−13	11	24
C12–C13–C14–C15	179	−168	13
C13–C14–C15–N	168	−164	28
C14–C15–N–CE	171	−158	31
C15–N–CE–CD	100	113	13