Figure 1.
The UNRES model for a polypeptide chain with the following centers of interaction: the united peptide group (pi) and the united side chain (SCi) represented by dark circles and ellipsoids, respectively. The open circles represent the Cα atoms which serve only as geometric points. The geometry of the chain is described by the virtual-bond angles θi, virtual-bond dihedral angles γi, and the angles αi and βi, and the bond lengths bsci that define the location of the side chain.