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. Author manuscript; available in PMC: 2023 Jul 11.
Published in final edited form as: J Chem Inf Model. 2022 Oct 26;62(22):5841–5848. doi: 10.1021/acs.jcim.2c01139

Figure 4.

Figure 4.

Proportions of efficiency-enhancing (red), -neutral (light gray), and -deleterious (dark gray) mutations for close mutations (≤15 Å) and distal mutations (>15 Å). There are 622 close mutations and 428 distal mutations. The distance is defined as the distance of the mutation residue Cα coordinate to the geometric center of the active-site residues’ Cα coordinates. Efficiency-enhancing mutants are defined as those with ΔΔG‡≤ –0.5 kcal/mol (red), efficiency-neutral mutants as those with –0.5 kcal/mol < ΔΔG‡ ≤ 0.5 kcal/mol (light gray), and efficiency-deleterious mutants as those with ΔΔG‡ > 0.5 kcal/mol (dark gray).