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. 2004 Sep 17;87(6):3954–3973. doi: 10.1529/biophysj.104.043752

TABLE 1.

Intrinsic and apparent pKa values calculated for site N3 of the protonatable cytosine bases for the triplex (τ) and hairpin (δ) conformations used in the two-state model

Site pKintr(τ) pKintr(δ) pKapp(τ) pKapp(δ)
C18 8.4 5.2 8.1 5.1
C21 9.5 5.4 8.2 4.7
C22 9.0 5.5 7.9 4.9
C7 7.7 4.2 7.5 4.2

Apparent pKa values were calculated from the intrinsic pKa values according to Eq. 7 with site-site interaction energies given in Table 2.