Knowledge Base | What's New | Contact Us |

2D Interaction Diagram

Generate a 2D Interaction Diagram of a ligand with the binding pocket. The image is annotated with hydrogen bonds and interacting residues. The residue interactions surface and proximity are represented by the size of the residue label and distance respectively. Grey parabolas and broken thick lines indicate solvent accessible regions and the ligand is shaded by property. [Documentation] | [Video]

A guide to the coloring and representation of the 2D display:

  • Green shading represents hydrophobic region.
  • Blue shading represents hydrogen bond acceptor.
  • White dashed arrows represents hydrogen bonds.
  • Grey parabolas represents accessible surface for large areas.
  • Broken thick line around ligand shape indicates accessible surface.
  • Size of residue ellipse represents the strength of the contact.
  • 2D distance between residue label and ligand represents proximity.
  • Covalently bound residue represented with thick black line around ellipse.

Return to ICM-Chemist Main Page

Copyright © 2021 Molsoft LLC.
All rights reserved.
Terms of Use
Privacy Policy