FIGURE 3.

Selected values of (a and e) ΔH_adapt; (b and f) ΔH_elec; (c and g) number of hydrophobic contacts; (d and h) electrostatic (squares, dotted-dashed line), hydrophobic (rhombus, dashed line), and total (circles, solid line) ΔG_solv along the reaction coordinate d[C-N], compared to the PMF (dotted line, and rescaled in (c, d, g, and h) to allow for an easier comparison with ΔG_solv profiles). Data on the left (a–d) refer to IMI·DNA, those on the right (e–h) to DSI·DNA. Solvation free energies were obtained using the method of Luo and co-workers. For a comparison with data obtained using PARSE radii, see Supplementary Fig. S3.