When a protein is divided into the amino acid fragments, what structures do the individual amino acid fragments want to keep by themselves ?
We carried out highly reliable ab initio molecular orbital calculations on glycine and alanine fragments and found that there is a beautiful coincidence between the single amino acid potentials in water and the statistical structures in folded proteins
(M.Iwaoka, D.Yosida, N.Kimura, J.Phys. Chem. B, 2006,110,14475).
The result shows that the single amino acid potentials strongly control protein structures.
It was also suggested that the single amino acid potentials are relevant to the problems of protein evolution and the folding.
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