Figure 4

Hydration potentials of several protein atoms. Atom hydration likelihood ratios (a-e), and potentials (f) for atom contacts with explicit structural water, calculated for several protein atom types. (a) oxygen atoms of proline, alanine, isoleucine backbone groups; (b) nitrogen atoms: N_Z of lysine, N_ε2 of histidine, backbone N of histidine (c) carbon atoms: C_γ of asparagine, C_α of aspartate, C_γ2 of isoleucine; (d) symmetric atom pairs: C_ε1 and C_ε2 of tyrosine and C_ε1 and C_ε2 of phenylalanine; (e) large scale behavior of distributions N_Z atom of lysine, C_δ2 of isoleucine, O of serine; (f) atomic hydration potentials, the same atoms as in (e). In (a), (b), and (c), the plot for water oxygen as in Figure 3, is given for reference.