Probing universal protein dynamics using residue-level Gibbs free energy

Abstract

Hydrogen Deuterium Exchange Mass Spectrometry is a powerful monitor of protein intrinsic dynamics, yet the interpretation, visualization and cross-comparison of HDX-MS datasets is challenging. Here we present PyHDX, an open-source python package and web server, that batch-extracts the universal quantity Gibbs free energy at residue level over multiple protein conditions and homologues. {Delta}G values relate to protein normal modes and together provide a universal measure of protein flexibility. AvailabilityPyHDX source code is released under the MIT license and can be accessed on GitHub.