Fig. 6: 3D-SARS2 structural interactome browser overview.

Overview of the main results page for exploring a given interaction in our 3D-SARS2 structural interactome browser. The main display contains information for both the SARS-CoV-2 and human proteins, including structural displays for either the docked or single crystal structures as well as a table summarizing the interface residues for both proteins. Interface residues are colored dark blue and dark green for the viral and human proteins, respectively. By default, the page will display the docked structure if available. The display can be toggled between docked structures and single structures using the button in the bottom middle. When a single structure display is selected residues will instead be colored based on the initial ECLAIR interface definition. Four categories of expandable panels containing additional analyses are provided. The interface view shows a linear representation of the protein sequence with interface residues annotated in dark blue or dark green (top left). Interfaces for other interactors of the protein are shown underneath for easy comparison. The mutations panel summarizes either human population variants or viral sequence divergences on the protein (top right). Mutations on the interface are labeled. The ΔΔG information panel summarizes the results from in silico mutagenesis scanning along the interface (bottom left). Results for each mutation are z score-normalized relative to the rest of the interface and colored blue (negative ΔΔG, stabilizing) to yellow (minimal impact) to red (positive ΔΔG, destabilizing). The heat map can be filtered to show only values corresponding to known mutations on the interface. The candidate drugs panel shows docking information for any known drug targets of the human protein (bottom right).