10.1371/journal.pone.0071149.g005 Jeremie Topin Jeremie Topin Julie Arnaud Julie Arnaud Anita Sarkar Anita Sarkar Aymeric Audfray Aymeric Audfray Emilie Gillon Emilie Gillon Serge Perez Serge Perez Helene Jamet Helene Jamet Annabelle Varrot Annabelle Varrot Anne Imberty Anne Imberty Aline Thomas Aline Thomas Energy maps and docked conformations. Public Library of Science 2013 Biochemistry proteins protein structure Biochemistry simulations Biomacromolecule-ligand interactions glycobiology biophysics Biophysics simulations Computational biology genomics Structure prediction Macromolecular structure analysis Biochemical simulations Biophysic al simulations microbiology Host-pathogen interaction computational chemistry Molecular mechanics Infectious diseases Bacterial diseases Burkholderia infection Pseudomonas infections maps docked 2013-08-19 03:50:12 Figure https://plos.figshare.com/articles/figure/_Energy_maps_and_docked_conformations_/776324 <p>Isoenergy contrours (1 kcal/mole) are represented as a function of Φ (x-axis) and Ψ (y-axis)torsion angles for all glycosidic linkages of interest taken from Glyco3D (<a href="http://glyco3d.cermav.cnrs.fr/" target="_blank">http://glyco3d.cermav.cnrs.fr/</a>) with superimposition of oligosaccharide conformations derived from docking (circles and squares) or protein crystallography (stars). Torsion angles are defined as Φ = θ(O5-C1-O1-Cx) and Ψ = θ(C1-O1-C′x-C′x+1).</p>