Figure 5

Dipole-dipole interactions in glycine. Axes are shown in the shifted φ'-ψ' angles [°]. Energy plots [kcal/mol] of (a) the Lennard-Jones 12-6 potentials of the revised set of steric clashes; (b) all electrostatic interactions; (c)-(f) the individual dipole-dipole interactions of the glycine backbone (see Figure 1A for backbone schematic of the dipoles). Energy parameters were taken from CHARMM22. The light areas show regions of minimum energy.