toDock v4.2.6  AutoDock vina  iGEMDOCK v2.1
S. No.  Ligands  BE (kcal/mol)   K d  Interacting amino acids  BE(kcal/mol)   K d  Interacting amino acids  TE(kcal/mol)  VDW  HB  EI  Interacting amino acids   
1.  Withaferin A  –8.39  702.21 nM  Ile979, Leu983, Thr980, Gly981, Gln984, Tyr738, Leu983, Gln984, Thr980  –10.3  28.30 nM  Lys715, Ala75