Figure 1.

A plot of the probability density (F) of a given combination of the derivative (∂ΔG_rep/∂x_i) of the repulsive component (ΔG_rep) of the free energy required to insert an uncharged molecule into solution with respect to the atomic coordinates (x_i) and the derivative (∂A/∂x_i) of the solvent-accessible surface area (A) with respect to x_i for the second chain of the 1UDI complex. The red line is a least-squares line drawn through all of the points. Its slope provides an estimate of γ_rep for this protein, and it is equal to 0.022 kcal mol⁻¹ Å⁻². Those atoms for which both ∂ΔG_rep/∂x_i and ∂A/∂x_i were equal to 0 were not included when computing F. If they had been included, the peak in F would have been significantly larger.