FIGURE 8.

Comparison of calculated transfer free energies with several interfacial scales. All scales have been shifted so that the free energy for Ala is zero. Solid lines indicate perfect agreement between calculation and experiment and are not best-fit lines. (A) Comparison between calculated free energy for transferring the side chain from water to the center of the bilayer, and the experimental water to cyclohexane transfer free energy (54). (B) Relationship between the calculated water to membrane interface transfer free energy, and the experimental partitioning of Ace-WLLxL peptides between water and water saturated 1-octanol (15). (C) Comparison between the calculated transfer free energy between water and the membrane interface and the experimental partitioning of Ace-WLLxL peptides between water and a POPC bilayer (16).