Per-Residue Interactions Panel

• Summary
• Opening the Per-Residue Interactions Panel
• Per-Residue Interactions Panel Features
• Related Topics

Summary

In this panel you can select the type of per-residue interaction with the ligand that is displayed in the Workspace, and select the residues for which the interaction is shown. Residues are colored according to the magnitude of the interaction using a color ramp, with red for negative values and blue for positive values, and white at zero. The color range is determined by the range of values for the current ligand.

Opening the Per-Residue Interactions Panel

To open the Per-Residue Interactions panel, you can:

• Click Define in the Pose Viewer panel.

Per-Residue Interactions Panel Features

• Interaction type options
• Residues to display for interaction picking tools

Interaction type options

Select the type of interaction to display from among the five options given:

• Interaction energy—Total interaction energy between the residue and the ligand from combination of Coulomb, van der Waals and hyrogen bonding terms.
• van der Waals—Van der Waals interaction between the residue and the ligand.
• Coulomb—Electrostatic interaction between the residue and the ligand.
• H-bond energy—Sum of hydrogen bond energies between the residue and the ligand.
• Minimum distance—Minimum distance between the residue and the ligand.

Residues to display for interaction picking tools

Use the standard picking tools in this section to select the residues for which the interactions are displayed.

Related Topics

• Viewing Poses