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Predicted pKa value of the A242D site and specific ΔpKa terms of its surrounding residues
| Site | pKa | pKmodel | Desolvation effect | Hydrogen bonding | Charge–charge interaction | ||
|---|---|---|---|---|---|---|---|
| Global | Local | Side chain | Backbone | ||||
| A242D | 8.83 | 3.8 | 4.36 | 1.33 | T208 (−0.08) Q209 (−0.29) |
N234 (−0.45) D238 (+0.14) N243 (−0.08) E314 (+0.10) |
|
Values in brackets indicate the pKa shift effect of each residue
