Table 3.

List of major interactions observed between EGCG and wild protein.

Time frame	Interaction involved	Amino acid involved	Distance
0 ns	1.Pi-Pi T-shaped 2.Pi-Alkyl 3.Alkyl 4.Conventional H-bond	1.TYR1110 2.TYR1110 3.PRO1112 4.ASN919	5.45 Å 5.42 Å 5.20 Å 2.15 Å
5 ns	1.Pi-Pi T-shaped 2.Alkyl 3.Conventional H-bond	1.TYR1110 2.PRO1112 3.ASN919	5.42 Å 5.16 Å 2.15 Å
10 ns	1.Pi-Pi T-shaped 2.Pi-Alkyl 3.Alkyl 4.Pi-Pi Stacked	1.TYR1110 2.TYR1110 3.PRO1112 4.Between two aromatic rings of the ligand	5.46 Å 5.39 Å 5.23 Å 4.42 Å
15 ns	1.Pi-Pi T-shaped 2.Pi-Alkyl 3.Alkyl 4.Pi-Pi Stacked	1.TYR1110 2.TYR1110 3.PRO1112 4.Between two aromatic rings of the ligand	5.42 Å 5.27 Å 5.08 Å 4.20 Å
20 ns	1.Pi-Pi T-shaped 2.Alkyl 3.Pi-Pi Stacked	1.TYR1110 2.PRO1112 3.Between two aromatic rings of the ligand	5.52 Å 4.96 Å 4.33 Å