Table 1.

Thermodynamics for dissociation of AA from templates determined with global fitting to a three-state sequential model

Sequence	Method	$T_m$ (°C)a	$\Delta H_d^{°}$ (kJ mol−1)	$\Delta S_d^{°}$ (J mol−1 K−1)	$\Delta G_{d8}^{°}$ (kJ mol−1)b
TTg:AA	IRc	26 ± 2	91 ± 2	245 ± 6	21.7 ± 1.1
	NMR	28 ± 3	79 ± 5	203 ± 20	21.5 ± 4.5
	ITCd	–	83 ± 5	–	23.1 ± 1.3
UUg:AA	IRc	24 ± 1	56 ± 1	131 ± 3	19.2 ± 0.6
	ITCd	–	51 ± 1	–	23.5 ± 0.4
TTo:AA	IRc	5 ± 1	67 ± 1	182 ± 4	16.1 ± 0.8

Errors are derived from 95% confidence intervals in fit parameters $\Delta H_d^{°}$ and $\Delta S_d^{°}$. $\Delta H_d^{°}$ and the dissociation free energy at 8°C ($\Delta G_{d8}^{°}$) from ITC measurements are also listed, where errors correspond to 95% confidence intervals from two-state fits (supporting material, Section 4.2).

^a$T_m$ is defined as the temperature where half of the total AA concentration is bound to the template.

^bFree energy change for AA dissociation at 8°C.

^cIR refers to global fits of FTIR and 2D IR temperature series.

^dITC was performed at 8°C.