FIG. 2.

Illustration of the dielectric and salt-exclusion zone model for bovine γ B-crystallin, based on PDB entry 1AMM [96], rotated and translated to the coordinate system used for numerical solution of Eq. (1). The dark gray netted surface is the boundary of the low-dielectric region and the light plain surface is the boundary of the salt-exclusion zone, described in the text. Larger black and white spheres and gray octahedra show titratable sites that are positive, negative, and neutral, respectively, for the most probable configuration at pH 7.0, modeled to occur about 20% of the time [see Fig. 13(a)]. Smaller dark gray spheres are locations of nonhydrogen atoms in the 1AMM structure and smaller lighter spheres are positions of heteroatoms.