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. Author manuscript; available in PMC: 2025 Oct 18.
Published in final edited form as: J Comput Biophys Chem. 2025 Apr 24;24(9):1189–1203. doi: 10.1142/s2737416525500164

Table 3.

Statistics of all pKa entries by wildtype and mutant residues.

Residue Name Wildtype Mutant
No. Avg. pKa Lowest pKa Highest pKa No. Avg. pKa Lowest pKa Highest pKa
Asp 227 3.67 0.50 9.90 32 5.61 2.10 9.70
Glu 238 4.21 2.10 10.50 52 5.17 2.90 9.40
His 193 6.60 2.50 9.19 18 6.09 4.03 8.90
Lys 100 10.56 8.40 12.12 22 8.13 5.30 10.90
Tyr 38 10.54 9.14 11.70 3 6.62 6.28 6.86
Cys 45 6.02 2.88 11.10 20 6.66 3.75 10.90
N-term 17 7.67 6.91 9.14 0 \ \ \
C-term 19 3.16 2.40 4.03 0 \ \ \
All 877 5.61 0.50 12.12 147 6.05 2.10 10.90