TABLE 6.

The hydrogen bond occupancy of amino acid residues throughout the simulation in various protein-ligand complexes.

Complex	H-bond occupancy of amino acid residues
Foretinib	Asp1046 (both donor and acceptor) 10.48%, Lys868 (donor) 39.62%, Arg1027 (both donor and acceptor) 23.25%, Tyr1059 (Donor) 0.60%, Glu885 (acceptor) 70.46%
Molecule 22	Lys868 (donor) 64.37%, Asn923 (donor) 0.20%, Arg1051 (donor) 7.29%, Asp1046 (acceptor) 57.09%
Designed molecule T01	Lys868 (donor) 65.17%, Asp1046 (donor and acceptor) 41.82%, Asp1028 (acceptor) 3.49%, His1026 (donor) 0.10%