Table 1. Calculated binding free energy (kcal/mol) of WT-inhibitors, Y427A-inhibitors, V428A-inhibitors, S466A-inhibitors and S467A-inhibitors systems.

	WT-LLO	Y427A	V428A	S466A	S467A
Myr	−11.4 ± 2.1	−6.8 ± 1.1	−7.1 ± 1.4	−7.5 ± 1.6	−7.9 ± 1.6
Mor	−10.7 ± 1.6	−6.4 ± 1.0	−7.0 ± 1.1	−7.6 ± 1.3	−6.5 ± 1.1
Bac	−9.4 ± 1.0	−5.9 ± 0.9	−6.2 ± 1.1	−6.9 ± 1.7	−5.8 ± 0.9
Chr	−8.8 ± 0.9	−5.6 ± 0.7	−5.4 ± 1.0	−6.4 ± 1.2	−6.0 ± 0.8
Nar	−7.7 ± 0.8	−5.5 ± 1.1	−4.7 ± 0.7	−5.7 ± 1.0	−4.4 ± 0.6