Table 2.
protein | Aexact GBB | BGBBsol |
---|---|---|
1a2p | −467.3 (0.3) | −467.3 |
1pga | −29.6 (0.2) | −29.5 |
1ppf | −156.8 (0.1) | −156.7 |
2lzt | −1092.6 (0.3) | −1092.5 |
2trx | −117.8 (0.2) | −117.8 |
3bdc | −443.3 (0.3) | −443.3 |
3rn3 | −524.1 (0.9) | −524.2 |
4pti | −465.1 (0.1) | −465.2 |
The average value of the exact computed for the most populated protonation states for each titratable residue in the proteins; standard deviations are given in parenthesis
obtained as a solution to the system of equations 9.