Enter a unique name for this design task. This name will be used to label the output files. Example: ligandmpnn_design1
Upload a .pdb file containing the full protein structure with bound ligand coordinates. Ligand must be included in the PDB file.
Drag & Drop or Click to Browse (Supported: .pdb)
Set to 1 to perform local side chain repacking around the ligand during design. 0 disables side chain repacking. Default: 1.
110
Specify how many times to repack the structure for each sequence design. Typically 0 for faster generation. Higher values may slightly improve pocket packing.
010
Set to 1 to consider the ligand as part of the environment during packing. This improves ligand-protein interface optimization. Default: 1.
110
List the residues you want to keep fixed during the redesign process. Format: chainID+residueNumber (e.g., 'A12 A13 B45'). Separate multiple entries with spaces.
If set to 1, all residues in the structure will be repacked before redesign. Default is 0, meaning only residues near the ligand are repacked.
