We develop amide I frequency maps for protein backbone and sidechain groups, from experimental spectra of N-methylacetamide and acetamide in different solvents.  The frequency maps, along with established coupling schemes, are validated by comparing theory to experiment for model peptides in aqueous solution.  We then apply our approaches to problems of current biological interest, including the elucidation of the conformational states of amylin (a 37-residue peptide implicated in type II diabetes) in solution.

Transferable amide I vibrational frequency maps for peptides:  Development, validation, and applications

241st National Meeting (2011)

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