Table 1.

Calibration of the dynamical proxy for conformational entropy^a

Parameter	Value
Ordinate intercept (ΔSr–t + ΔSother)	−(0.10 ± 0.01) × 10−1 kJ mol−1 K−1
Slope (sd)	−(4.8 ± 0.5) × 10−3 kJ mol−1 K−1
Hydration heat capacity—apolar (dCp1)	+(37 ± 11) × 10−5 kJ mol−1 K−1 Å−2
Hydration heat capacity—polar (dCp2)	−(5.2 ± 1.0) × 10−5 kJ mol−1 K−1 Å−2
Solvent entropy coefficient—apolar (a1) at 298 K	−(9.6 ± 2.9) × 10−5 kJ mol−1 K−1 Å−2
Solvent entropy coefficient—polar (a2) at 298 K	−(2.7 ± 0.5) × 10−5 kJ mol−1 K−1 Å−2

^aDerived from a global fit of nuclear magnetic resonance–derived dynamical data. Precision determined by Monte Carlo sampling. See Reference 7 for details. a₁ = dC_p1 ln(T / 385 K) (3) and a₂ = dC_p2 ln(T / 176 K) (71), where dC_p1 and dC_p2 are the hydration heat capacities per unit area of apolar and polar surface, respectively. Substituting these relations for a₁ and a₂ into Equation 6, the parameters dC_p1, dC_p2, ΔS_r–t, and s_d are obtained from a global fit using the experimental binding entropy changes, order parameter changes, and temperatures.