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3 results on '"Tri-L-alanine"'

2. Vibrational analysis of crystalline tri-L-alanine

Author

Weili Qian, Jagdeesh Bandekar, and Samuel Krimm

Subjects
Models, Molecular, Spectrophotometry, Infrared, Macromolecular Substances, Protein Conformation, Molecular Sequence Data, Biophysics, Structure (category theory), Crystal structure, Spectrum Analysis, Raman, Vibration, Biochemistry, Biomaterials, symbols.namesake, Tri-L-alanine, Protein structure, Chain (algebraic topology), Normal mode, Beta (velocity), Amino Acid Sequence, Chemistry, Organic Chemistry, food and beverages, Hydrogen Bonding, General Medicine, Crystallography, symbols, Crystallization, Raman spectroscopy, Oligopeptides
Abstract

We have found that tri-L-alanine (Ala3) can crystallize in a parallel-chain beta structure in addition to the previously known antiparallel-chain beta structure. Although the chain conformations in each structure are essentially similar, the ir and Raman spectra are distinctively different. We have calculated the normal modes of each structure, and can account in significant detail for these differences. This demonstrates the essential validity of our empirically refined force fields, as well as showing that deeper insights into polypeptide and protein structure can be achieved through the rigorous analyses of normal mode calculations.

Published
1991

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