a  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  –6.11  33.39 µM  Leu303, Tyr313, Thr302, Gln314, Thr315, Ser316, Asn317, Arg319  –8.6  447.56 nM  Gln218, Phe59, Gly219, Phe220, Thr3