Separability between overall and internal motion: A protein folding problem

Authors

  • Eric Johnson

    Corresponding author
    1. Department of Chemistry and Physical Sciences, College of Mount St. Joseph, Cincinnati, Ohio 45233
    • Department of Chemistry and Physical Sciences, College of Mount St. Joseph, 5701 Delhi Road, Cincinnati, Ohio 45233
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Abstract

The separability between overall and internal motions is evaluated over multiple folding trajectories of the villin headpiece subdomain. The analysis, which relies on the Prompers-Brüschweiler separability index, offers a potentially useful perspective on protein folding. The protein is considered folded in this study, not when it reaches some static target, but rather when it tumbles as a dynamically constrained object. The analysis also demonstrates how the separability index, when applied to protein folding simulations, can facilitate the analysis of NMR relaxation data. Proteins 2012;. © 2012 Wiley Periodicals, Inc.

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