Conformational energy and circular dichroism computed for cyclo‐(Pro‐Gly)3
- 1 August 1973
- journal article
- research article
- Published by Wiley in Biopolymers
- Vol. 12 (8) , 1837-1852
- https://doi.org/10.1002/bip.1973.360120811
Abstract
An analytic cyclization procedure has allowed the complete specification of c‐(Pro‐Gly)3 conformation by three dihedral angles. Utilizing this simplification, the intramolecular potential energy of c‐(Pro‐Gly)3 has been computed over all of conformational space. Conformers with all peptide bonds trans have the lowest total potential energy. Circular dichroism spectra calculated for the low‐energy regions provide the basis for the interpretation of experimental CD spectra.Keywords
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