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. Author manuscript; available in PMC: 2023 Aug 1.
Published in final edited form as: J Comput Biophys Chem. 2023 Apr 25;22(5):515–524. doi: 10.1142/s2737416523500230

Table 1.

Summary of experimentally measured 1456 residue-specific wild-type pKa values collected from literature

Residue ID No. of measurements Average pKa Lowest pKa Highest pKa Intrinsic pKa

ASP 450 3.56 0.5 9.9 3.9
GLU 455 4.13 2.1 7.2 6.5
HIS 264 6.61 2.5 9.19 4.3
LYS 168 10.69 6.5 12.12 9.8
TYR 50 10.50 9.14 >12.5 10.4
CYS 22 6.10 2.88 >14.9 8.6
N-term 22 7.64 6.91 9.14 8.0
C-term 25 3.15 2.4 4.03 3.7
a

footnoteA.

b

footnote B.