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PROPKA calculated pKa values of the photoactive site residues in WT CaChR1 and its mutants (residue numbers are according to the CaChR1 sequence)
| WT | E169Q | D299N | F139K | R166A | |
|---|---|---|---|---|---|
| Glu-169 | 10.89 (8.85)a | N/A | 5.77 | 5.57 (3.52) | 10.97 (8.94) |
| Asp-299 | 4.9 (6.93) | 4.54 | N/A | 2.91 (4.94) | 5.13 (7.17) |
| Lys-139 | N/A | N/A | N/A | 13.99 | N/A |
The numbers in parentheses were calculated using a program option for coupled residues (42).
