Use this field to upload one or more protein structures in PDB format.
You can also submit structures from RCSB PDB
directly by typing protein identifiers separeted by comma.
Here you can use your email to receive the link
containing the results. This field is not madatory, but we recommend you
use it to keep saved the address to your experiment. The link is the
only way to access your results, if you lose it, you will no longer
be able to access the results.
Results page
The submitted proteins are listed in a table.
Use the icons to access functionalities:
The column Progress shows the processing status.
Results column takes to a page with detailed binding
site results for the protein in the respective row.
Preview shows, on the right-hand side, the protein structure
with binding site residues highlighted.
Detailed results
Detailed results allow the user to explore
and make sense of the predicted binding site residues of a protein.
List of binding site residues. The
Confidence column contains the probabilities extracted from
the machine learning predictor, which indicates the confidence level
for each residue. Use the Look at
column to focus on the residue in the molecule viewer.
Turn on the CLUSTERING button to group
the predicted residues in areas of high density.
These controls can be used to better personalize the molecule viewer,
changing the background color or the protein structure representation
for example.
Suggested ligands
GRaSP suggests ligands based on pocket similarities using protein
templates considered to predict the binding site residues.
For each cluster of residues GRaSP shows the four best ranked ligands
using the PocketMatch scoring.
Feature Importance
Descriptors ranked in accordance with their relevance
for the machine learning task.
Descriptors are ranked by relevance into a ordered list followed by a brief explanation.
