Details of predicted druaggable PPI hotspot site and aligned structures  for 2P2I-Unbound set  (Fig2)
Download (PSE format)


Residue information of druaggable PPI hotspot site for 2P2I-PPI set  (Table 3) PPI hotspot residues(txt format)
PL patch (txt format)Predicted druggable hotspots(PDB format)
Residue information of druaggable PPI hotspot site for 2P2I-Unbound set  (Table 3)PPI hotspot residues(txt format)
PL patch (txt format)Predicted druggable hotspots(PDB format)
Residue information of druaggable PPI hotspot site for 2P2I-PL set  (Table 3)PPI hotspot residues(txt format)
PL patch (txt format)Predicted druggable hotspots (PDB format)


1.For pse format file, the corresponding PPI complexes as well as the reference protein-inhibitor complexes were aligned with these unbound structures.
   The corresponding target proteins in the complexes as well as the unbound structures are shown in gray, while the binding partners in PPI complexes are in blue.
   The reference inhibitors are colored in green. Predicted small molecule-binding sites are in spheres and yellow (unused) or purple (used). 
   Predicted druggable PPI hotspots are in lines and pink (unused) or sticks and orange (used).  These pse files could  be  viewed by PyMOL.

2.Predicted hotspot residues for 2P2I data set (PPI , unbound and PL complexes) are saved in the following format:

  PDBIDchainID     residue_number1+ residue_number2+residue_number3+..................... .

3.PL patch file contains the basic information about  predicted ligand-binding patch including atom serial, residue serial , atom name, residue type and seed or neighbor atoms labeling 
   for three groups of 2P2I data set (PPI, unbound and PL complexes).

4.PDB record format file contains the residues and atom record predicted as druggable PPI hotspot sited for three groups of 2P2I data set (PPI, unbound and PL complexes).

                                                                                                                                                                                                                                                                                                                                        Last updated 2016/8/12