Getting Started: input data
Upload protein structures archive. Only 1 upload allowed per session. Drag & drop or choose an archive (.zip, .tar.gz, .tgz) containing structure files (.pdb, .cif, or gzipped).
Need example data?
Download example
Download sample PDB files
Region Of Interest (ROI) to use in Parameters settings: AL32, ILE47, GLY48, GLY49, ILE50, THR80, PRO81, ILE84, VAL132, ILE147, GLY148, GLY149, ILE150, THR180, PRO181, ILE184
Drag & drop a .zip, .tar.gz or .tgz here or click to choose
Accepted: .pdb, .cif, .pdb.gz, .cif.gz files in .zip, .tar.gz or .tgz archive. 1 upload = 1 job.
Notes
- Archive (.zip, .tar.gz, .tgz) must contain only structure files: .pdb, .cif, .pdb.gz, or .cif.gz
- CIF files are automatically converted to PDB format
- Each upload will be queued as a job for pocket detection and clustering.
- Server will return validation errors if the archive is invalid.
- CIF files are automatically converted to PDB format
- Each upload will be queued as a job for pocket detection and clustering.
- Server will return validation errors if the archive is invalid.
Parameters settings
Load your job to configure its PockFlex analysis parameters.
Job status
Overview of submitted jobs for this session.
| Job Name | Type | Status | Progress | Created | Action |
|---|---|---|---|---|---|
| Loading jobs... | |||||
Results viewer
Display Results:
Cluster filtering
0%
# observed pockets relative to # of PDB
0%
Frequency of druggable pockets
Druggability Score Legend:
≥ 0.75
Very druggable
0.50 - 0.75
Quite druggable
0.25 - 0.50
Less druggable
< 0.25
Not druggable
zoom: 100%
Welcome to Results Viewer
View clustering results and druggability analysis
Click on a cluster in the list to view detailed visualisations
Pockets analysis
Analysis statistics for completed jobs.
Select your last completed job to view PockDrug druggability statistics.
Advanced Analysis: Key Residues
Identify the most frequent and druggable residues for each cluster
Select residues appearing in at least X% of conformations within each cluster
3D Structural Viewer
Visualise representative pockets from PockFlex clusters in 3D
Download results
Download completed job results as ZIP archives.
No completed jobs available for download.