Figure 9.

(A) Energy calculations of mutant systems via two routes, bound and unbound, respectively. ΔG_A represents a change in energy between mutants (A392, E392) in the unbound state, and ΔG_B represents a change in energy between mutants (A392, E392) when they are bound to the ligand. ΔG₁ represents a change in the energy of mutant A392 between bound and unbound ligand states, and ΔG₂ represents a change in mutant E392 between bound and unbound ligand states. (B) Change in the binding mode of 2h observed in the mutant state.