Fig. 4. B-factor dependency on barrier height and temperature.

a Difference between B-factors at the temperatures before cooling (T_h) and after cooling (T_c) calculated from model3 as a function of barrier height ΔG^‡ for different water-layer thicknesses (${\mathrm{\Delta }x}_{{\mathrm{H}}_2\mathrm{O}}$). The ΔG^‡ values at which the B-factor is reduced halfway between the reduction at 0 kJ/mol and 20 kJ/mol is indicated in red. Lines denote expected values and gray areas correspond to the 95% confidence intervals (obtained from bootstrapping the parameter distributions). b B-factors as a function of temperature calculated from model3 under equilibrium conditions (upper panel; expected values: blue lines, 95% confidence interval: light blue area). The B-factors of the harmonic potentials are shown in cyan. B-factors obtained from X-ray crystallography at different temperatures (black dots) for proteins thaumatin⁶⁰ (middle panel) and ribonuclease-A⁴⁰ (lower panel). B-factors calculated from model3 applied to the experimental B-factors (blue and cyan).