2A: The relative free energies of the states A,B,C, and D as a function
of pH given the pKas in Table
1 transformed to standard state free energies, ΔG°
(Table 2). Relative free energies of
microstates change linearly with respect to pH (eqn. 2b). Squares are input pKas
which can be experimentally observable. Circles mark
ΔG°jB, the free energies at pH 0 of the other three
states relative to B. Horizontal arrows at the bottom show the state at lowest
free energy (dominant population) in each pH range. 2B): states A, B, C and D
with state C as the reference; 2C): Titration showing relative state populations
vs pH predicted using ΔG°s in Table 2 and equations
3 and 4. This plot is
the same independent of which state is used as the reference. ΔG is given
in unitless free energies where a unit change in ΔG yields a 10-fold
population change.