Table 4.

The calculated DNA duplex stabilization free energies and their components.

SS modela	Xb	Free Energy (kcal/mol)c
		$\mathrm{\Delta }\mathrm{\Delta }{G}_{X\to C}^{ES}$	$\mathrm{\Delta }\mathrm{\Delta }{G}_{X\to C}^{\mathit{\text{vdW}}}$	$\mathrm{\Delta }\mathrm{\Delta }{G}_{X\to C}^{\mathit{\text{PRE}}}$	ΔΔGX→C	experiment
dN	T	−1.8	0.4	−0.1	−1.5	−1.8d, −2.0e
	A	−1.0	−0.6	0.0	−1.6	−1.4e
dNpN	T	−1.4	−0.5	−0.6	−2.5	−1.8d, −2.0e
	A	−0.6	−1.2	0.1	−1.7	−1.4e

^aModel used to calculate $\mathrm{\Delta }{G}_{\mathit{\text{solv}}}^{\mathit{\text{SS}}}(B)$ (see Methods)

^bProbe in the mispair

^cΔΔG_X→C, (eq. 7), α = 0.56, β = 0.5.

^dDSC, this work

^eDetermined using nearest-neighbor empirical parameters² for terminal DNA mismatches in 0.1 M NaCl and at 25°C via program HYTHER⁷⁴.