Table 1.

Averaged ΔE values calculated using SQM approach between VA (non-radical and cation radical) and each amino acid (AA) located around LiPH8 Trp171 (<5.5 Å far).

AA	Average interaction energy (ΔE in kcal·mol−1)
	AA/VA	AA/VA•+
Trp171	−11.9 ± 0.2	−13.8 ± 0.4
Phe164	−7.4 ± 0.4	−21.5 ± 0.6
Asp165	−10.5 ± 0.2	−87.1 ± 0.7
Leu167	−7.4 ± 0.3	−14.3 ± 0.5
Glu168	−10.2 ± 0.2	−75.7 ± 0.6
Glu250	−10.3 ± 0.2	−76.5 ± 0.5
Lys 260	−10.3 ± 0.3	30.1 ± 0.7
Asp264	−10.4 ± 0.3	−83.1 ± 0.4
Phe267	−7.9 ± 0.3	−22.7 ± 0.6
Ile268	−5.5 ± 0.2	−13.6 ± 0.3