Table 2.

Type of interactions, interacting residues and bond distance of scytalone dehydratase (1STD), trihydroxynaphthalene reductase (1YBV), trehalose-6-phosphate synthase 1 or Tps1 (6JBI) and isocitrate lyase enzyme (5E9G) with their best binding energy compound.

Compounds	Interacting amino acid residues	Bond distance (Å)	Interaction category	Type of interaction
1YBV vs. Camptothecin	A:ALA171	4.30500	Hy Bond	Pi-Alkyl
	A:VAL172	4.42792	Hy Bond	Alkyl
	A:PRO173	4.36460	Hy Bond	Alkyl
	A:PRO173	3.91795	Hy Bond	Pi-Alkyl
	A:PRO173	4.56089	Hy Bond	Pi-Alkyl
	A:TYR223	5.01426	Hy Bond	Pi-Alkyl
	A:ILE224	4.77982	Hy Bond	Amide-Pi Stacked
	A:ILE224	4.82795	Hy Bond	Amide-Pi Stacked
	A:PRO225	3.83534	Hy Bond	Alkyl
	A:PRO225	5.29914	Hy Bond	Pi-Alkyl
	A:PRO225	4.40528	Hy Bond	Pi-Alkyl
	A:PRO225	4.02346	Hy Bond	Pi-Alkyl
	A:TYR238	2.88848	H Bond	Conventional H Bond
	A:TRP243	3.02142	H Bond	Conventional H Bond
	A:TRP243	4.71108	Hy Bond	Pi-Alkyl
	A:TRP243	4.90207	Hy Bond	Pi-Alkyl
	A:MET283	3.97625	Hy Bond	Alkyl
1STD vs. Camptothecin	A:TYR30	3.03114	H Bond	Conventional H Bond
	A:TYR50	2.83592	H Bond	Carbon H Bond
	A:TYR50	4.5893	Hy Bond	Pi-Alkyl
	A:PHE53	5.47049	Hy Bond	Pi-Alkyl
	A:LEU54	5.42091	Hy Bond	Pi-Alkyl
	A:VAL75	4.62589	Hy Bond	Pi-Alkyl
	A:VAL108	3.99317	Hy Bond	Alkyl
	A:HIS110	4.60518	Hy Bond	Pi-Alkyl
	A:ALA127	3.55428	Hy Bond	Alkyl
	A:ILE151	4.5329	Hy Bond	Alkyl
	A:PHE158	4.45972	Hy Bond	Pi-Alkyl
	A:ARG166	5.48424	Hy Bond	Pi-Alkyl
5E9G vs. GKK1032A2	A:TRP440	3.68425	Hy Bond	Pi-Pi Stacked
	A:GLN449	2.43557	H Bond	Conventional H Bond
	A:ILE466	5.34579	Hy Bond	Alkyl
	A:ALA469	3.86322	Hy Bond	Alkyl
6JBI vs. GKK1032A2	A:HIS112	2.85945	H Bond	Conventional H Bond
	A:HIS181	4.11942	Hy Bond	Pi-Alkyl
	A:THR182	2.98721	H Bond	Carbon H Bond
	A:LYS294	3.46775	H Bond	Pi-Donor H Bond
	A:MET390	2.68059	H Bond	Conventional H Bond
	A:LEU392	4.47259	Hy Bond	Alkyl

H hydrogen, Hy hydrophobic.