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. 2024 Apr 28;14(5):530. doi: 10.3390/biom14050530

Table 4.

Activation free-energy values for reactions A and B [46] (in kcal/mol).

Protein Site Substitution of Axial Ligand
Water
(Reaction A)
Chloride
(Reaction B)
Arg 4.5 18.5
Cys 11.1 20.4
Cys 15.7 22.8
His 7.6 18.2
Lys 10.9 22.5
Sec 11.9 20.4
Sec 17.6 24.6