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Persistent Protein Motions in a Rugged Energy Landscape Revealed by Normal Mode Ensemble Analysis

preprint
submitted on 27.08.2020 and posted on 28.08.2020 by Tod D. Romo, Alan Grossfield, Andrea Markelz
Testing the premise of evolutionarily optimized protein dynamics has remained an experimental challenge. Most measurements fail to isolate specific structural motions. Our simulations show that the structural variation of a single protein in time results in variation in the vibrations leading to the observed broad and featureless optical absorption. However, when the thermal population of a protein’s configurations are considered, vibrations with functional displacements are concentrated in specific frequency bands. These emergent dynamics are apparent in anisotropic optical absorbance, indicating an experimental avenue for measuring these motions and their impact on biological function.

Funding

U.S. Department of Energy (DE-SC0016317)

National Science Foundation (MCB 1616529)

History

Email Address of Submitting Author

amarkelz@buffalo.edu

Institution

University at Buffalo, SUNY

Country

USA

ORCID For Submitting Author

0000-0003-0443-4319

Declaration of Conflict of Interest

No conflict of interest

Version Notes

This is version submitted for publication

Exports