- Added number of peptides to Flattened Data Map
- Upgraded legends on Woods plot
- Fixed bug with importing data with modifications in difference file
- Fixed bug with exporting Woods plot without figure legends
- Fixed bug with y-axis limits for Woods plots
Software for rapid analysis and visualization of data from differential hydrogen deuterium exchange-mass spectrometry
Andy M. C. Lau, Zainab Ahdash, Chloe Martens, Argyris Politis
King's College London, Department of Chemistry, Britannia House, 7 Trinity Street, London, SE1 1DB, United Kingdom
Hydrogen deuterium exchange-mass spectrometry (HDX-MS) has emerged as a powerful technique for interrogating the conformational dynamics of proteins and their complexes. Currently, analysis of HDX-MS data remains a laborious procedure, mainly due to the lack of streamlined software to process the large datasets. We present Deuteros which is a standalone soft-ware designed to be coupled with Waters DynamX HDX data analysis software, allowing the rapid analysis and visualization of data from differential HDX-MS.
Deuteros is available for any machine capable of running MATLAB, and requires Ghostscript for figure exporting.
Ghostscript for Windows: https://www.ghostscript.com/download/gsdnld.html
Ghostscript for Mac: with homebrew installed, use
brew install ghostscript
The easiest method of running Deuteros is to open the Deuteros.m script using MATLAB and press 'Run'. This will initialise the Deuteros GUI directly.
XylE WT apo vs E397Q difference.csv DynamX 'difference' file XylE WT apo vs E397Q state.csv DynamX 'state' file
XylE WT apo vs E397Q difference_peptide_list.csv List of deprotected and protected peptides XylE WT apo vs E397Q difference coverage.pdf Vector: global coverage XylE WT apo vs E397Q difference redundancy.pdf Vector: peptide redundancy XylE WT apo vs E397Q difference heatmap 5 min.pdf Vector: heatmap of global deuterium uptake for t=5min XylE WT apo vs E397Q difference_WoodsPlot.pdf Vector: grid of Woods plots XylE WT apo vs E397Q difference_coverage.pml PyMOL: coverage data for PDB XylE WT apo vs E397Q difference_redundancy.pml PyMOL: redundancy data for PDB XylE WT apo vs E397Q difference_uptake...scale.pml PyMOL: Woods plot data (per timepoint) for PDB