. Author manuscript; available in PMC: 2011 Oct 12.

Published in final edited form as: Biochemistry. 2010 Sep 21;49(40):8669–8679. doi: 10.1021/bi100146z

Table 4.

Averages of the Absolute Difference between Predicted and Measured Single Mismatch Thermodynamic Parameters^a

sm position^b		ΔΔH°_SM (kcal/mol)	ΔΔS°_SM (cal/K·mol)	ΔΔG°_37,SM (kcal/mol)
center	average^c	6.8	19.7	0.43
center	stdv	6.1	14.6	0.50

off-center^d	average^c	6.5	25.3	0.76
	stdv	4.3	22.6	0.53

5′-shifted	average^c	5.2	23.4	0.80
	stdv	3.0	18.4	0.58

3′-shifted	average^c	7.8	27.1	0.73
3′-shifted	stdv	5.1	27.2	0.51

Averages and standard deviations are based on the data obtained from T_M⁻¹ vs. ln(C_T/4) plots of the nine complete sets of data as described in the Materials and Methods.

The duplex position of the single mismatch as described in Materials and Methods.

The average of the absolute difference between the predicted and measured thermodynmic values. Predicted values are calculated using the single mismatch specific algorithm (36).

The off-center values are an average of the 5′-and 3′-shifted single mismatch data.