Figure 4.

The thermodynamics cycle used for the evaluation of the entropic contribution from hydrophobic effect. (A) The upper cycle (a→b→c→d) provides the hydrophobic contribution in water ($-T\mathrm{\Delta }\mathrm{\Delta }{S}_{\mathit{\text{hphob}}}^w$). The cycle involves the release of the constraint for the non-polar-ligand (ℓ') and “nothing” (ℓ"), see text for details. (B) The lower cycle (e→f→g→h) provides the corresponding contribution in the protein ($-T\mathrm{\Delta }\mathrm{\Delta }{S}_{\mathit{\text{hphob}}}^p$). The difference between the entropy values obtained from the two cycles provides the loss in entropy upon moving the non-polar ligand (ℓ') from water to protein ($-T\mathrm{\Delta }\mathrm{\Delta }{S}_{\mathit{\text{pol}}}^{w\to p}$).