Empirical protein energy maps.

WORK by several groups1–5 has led to the calculation of energy maps for the peptide unit, which is the dependence of the conformational energy Eϕ,ψ on the torsional angles around the N-Cα bond (ϕ) and the Cα-C bond (ψ)6 (Fig. 1) by using a standard set of bond lengths, valence angles and potential functions derived from small molecules. Although calculated maps are improved by refining the potential functions and increasing the number of parameters, there are differences according to the particular assumptions made. The most probable conformation of a peptide unit in proteins, using the available experimental information, is given by the following approach.

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