A Simple Spreadsheet Program To Simulate and Analyze the Far-UV Circular Dichroism Spectra of Proteins

Abstract

A simple algorithm was implemented in a spreadsheet program to simulate the circular dichroism spectra of proteins from their secondary structure content, and to fit alpha helix, beta sheet and random coil contents from experimental far-UV circular dichroism spectra. The physical basis of the method is quickly reviewed within the context of protein structure, and the mathematical aspects of the approach are given together with ready-to-use code and examples. The work illustrates the use of simple, powerful programming tools for simulations and data analysis in class, and provides a means to explore the CD spectra of proteins and the applications of this spectroscopic technique to the study of proteins.