Table 3. Comparison between van der Waals interactions of the different studied systems.

Residue	WT-T	WT-T	A156L-T	A156L-T
Tyr117	−2.21	−2.52	−2.08	−1.24
Trp122	−1.09	−0.78	−0.72	−0.90
Phe133	−5.13	−3.15	−5.32	−5.12
Ser140	−0.42	−0.51	−0.08	−0.90
Ile154	−0.65	−0.51	−0.57	−0.66
Phe158	−4.15	−3.41	−4.35	−4.66
Trp163	−1.28	−1.30	−1.41	−1.28
Ile171	−1.60	−1.97	−1.42	−1.26
Ile179	−4.87	−4.41	−4.34	−4.90
Val182	−3.49	−1.72	−3.77	−3.57
Leu183	−3.30	−3.52	−3.09	−3.27
Phe187	−2.08	−1.26	−2.16	−1.98
Leu189	−0.73	−0.54	−0.66	−0.73
Ile194	−1.21	−1.52	−1.31	−1.20
Ile210	−1.42	−1.72	−1.49	−1.17
Phe203	−1.36	−1.37	−1.13	−1.45
Val206	−0.76	−0.93	−1.01	−0.48
Phe207	−0.54	−0.78	−0.89	−0.79
Ile210	−1.42	−1.72	−1.49	−1.17
Leu214	−0.35	−0.37	−0.41	−0.10
Leu218	−0.03	−0.08	−0.02	−0.01
Total	−38.09	−34.09	−37.72	−38.76

The van der Waals interactions (in kcal mol) shown are between the tocopherol isoform and the binding pocket residues (upper part), and the most significant mobile gate residues (lower part).