Table 1. The calculated *pKa values of amino acids in p7 protein.
A. A. | Position | Chain | pKa | A. A. | Position | Chain | pKa |
HIS | 17 | A | 6.07 | LYS | 3 | D | 10.30 |
HIS | 31 | A | 5.44 | LYS | 33 | D | 9.58 |
HIS | 59 | A | 5.77 | LYS | 3 | E | 10.05 |
HIS | 17 | B | 5.52 | LYS | 33 | E | 9.60 |
HIS | 31 | B | 5.63 | LYS | 3 | F | 10.13 |
HIS | 59 | B | 5.56 | LYS | 33 | F | 9.51 |
HIS | 17 | C | 6.12 | ARG | 35 | A | 11.95 |
HIS | 31 | C | 5.62 | ARG | 54 | A | 12.37 |
HIS | 59 | C | 5.81 | ARG | 57 | A | 12.34 |
HIS | 17 | D | 5.89 | ARG | 60 | A | 12.42 |
HIS | 31 | D | 5.56 | ARG | 35 | B | 12.07 |
HIS | 59 | D | 5.73 | ARG | 54 | B | 12.35 |
HIS | 17 | E | 6.22 | ARG | 57 | B | 12.27 |
HIS | 31 | E | 5.63 | ARG | 60 | B | 12.37 |
HIS | 59 | E | 5.77 | ARG | 35 | C | 12.10 |
HIS | 17 | F | 5.53 | ARG | 54 | C | 12.33 |
HIS | 31 | F | 5.50 | ARG | 57 | C | 12.30 |
HIS | 59 | F | 5.87 | ARG | 60 | C | 12.44 |
TYR | 42 | A | 9.94 | ARG | 35 | D | 12.06 |
TYR | 42 | B | 10.03 | ARG | 54 | D | 12.38 |
TYR | 42 | C | 10.21 | ARG | 57 | D | 12.31 |
TYR | 42 | D | 10.13 | ARG | 60 | D | 12.44 |
TYR | 42 | E | 10.38 | ARG | 35 | E | 12.03 |
TYR | 42 | F | 10.29 | ARG | 54 | E | 12.33 |
LYS | 3 | A | 10.13 | ARG | 57 | E | 12.27 |
LYS | 33 | A | 9.12 | ARG | 60 | E | 12.43 |
LYS | 3 | B | 10.10 | ARG | 35 | F | 11.96 |
LYS | 33 | B | 9.88 | ARG | 54 | F | 12.33 |
LYS | 3 | C | 10.20 | ARG | 57 | F | 12.20 |
LYS | 33 | C | 10.01 | ARG | 60 | F | 12.44 |
Amantadine | 9.00 [28] | Rimantadine | 10.40 [28] |
*PROPKA3.1 [24]–[27]. (http://propka.ki.ku.dk/pka/2M6X.html).