TABLE 3.

Binding energies of AE with Wnt2 and β-catenin in comparison with their respective standards CCT036477 and FH535.

Compound	Binding energy (Kcal/mol)	Hydrogen bonds	Hydrophobic interactions
Wnt2 + AE	−7.0	Gln111, Glu52, and Gln55 and other residues were found to be involved in hydrogen bonding	Leu59, Pro58, Lys61, Phe56, Tyr76, Met105, Phe110, Glu114, Pro113, and Arg115
Wnt2 + CCT036477	−6.9	Pro66 and Ser65 are involved in hydrogen bonding	Asp29, Ile30, Val60, Lys61, Gln63, Cys64, Glu67, Leu68, Arg69, and Phe70
β-Catenin + AE	−8.0	Thr332 and Arg582 residues are involved in hydrogen bonding	Thr330, Tyr331, Glu334, Tyr333, Leu519, Val251, Lys292, Thr289, Pro521, Glu479, Ala478, Glu477, Gln476, and His475