Figure 3.

Schematic of the CBX model used to generate chain conformations. The peptide chain is described with standard rigid backbone geometry with allowed (ϕ,ψ) dihedral rotations. To account for excluded volume and electrostatic repulsive interactions a hard sphere of diameter d_α is present on each C_α carbon. Conformations, in which two C_α that are not nearest neighbors are closer than d_α, are excluded from the simulated ensemble.