Sample Run

The original web results can be seen here.

In the following, you can see an example DrugScore^PPI run for PDB-code 1Z92. Please see the results below.

Example:

Results:

1Z92.pdf
A PDF file containing a table and a bar-plot with the results.

1Z92_score.pdb

A PDB file with predicted relative binding free energy differences in the B-factor column. This file can be used to color residues in the interface according to their sidechains' contribution to the binding free energy, e.g., with PyMol or VMD.

Example for Jmol:

Color-coded representation of residues in the interface according to their sidechain's contribution to the binding free energy, as given in the color scale. The chain(s) of the protein for which residue contributions were calculated is (are) colored in white; the corresponding chain(s) of the binding partner is (are) colored in magenta.