. 2019 May 16;24:103994. doi: 10.1016/j.dib.2019.103994

Table 4.

Summary of docking analysis with fat and obesity protein (PDB ID 3LFM).

Sr. No.	Ligand	Score	Interacting Residues	Bond Type	Bond Distance
1	Riboflavin	−27.3248	ARG 96	HB	1.62
			SER 229	HB	2.07
			GLU 234	HB	2.01
			GLU 234	Ar HB	2.35
2	Niacin	−21.5279	ARG 322	HB	1.93
			GLU 234	HB	1.84
			ARG 96	Pi-Pi Stacking	4.26
3	Thiamine	−19.313	TRY 108	Pi-Pi Stacking	4.78
			HIP 231	Pi-Pi Stacking	3.68
				Pi-Pi Stacking	5.45
				Pi Cation	4.42
				Pi Cation	3.78
			SER 229	HB	1.38
			TYR 106	HB	2.00
4	Ascorbic acid	−16.8546	ASP 233	HB	1.99
			ARG 322	HB	2.45
			ARG 96	HB	1.99
			GLU 234	HB	1.90
5	Cyanidine 3, 5 diglucoside	−14.6454	ARG 322	Pi Cation	5.23
			ARG 322	HB	1.52
			TRY 106	HB	2.08
			TRY 106	HB	1.81
			HIP 232	HB	1.82
			GLU 234	HB	2.25
			HIP 231	Pi-Pi Stacking	4.81
			HIP 231	Pi-Pi Stacking	5.43
			VAL 94	HB	1.53
6	Quercetin 3,4′ diglucoside	−12.747	VAL 94	HB	2.35
			GLU 234	HB	2.00
			HIP 232	HB	1.57
			HIP 232	HB	1.91
			GLN 306	HB	2.18
			HIP 231	Pi Cation	6.38
7	8 nonynoic acid	−12.149	ASN 205	HB	1.96
			ARG 322	HB	2.05
			ARG 322	Salt bridge	3.78
			ARG 96	HB	1.78
8	9 Decynoic acid	−11.8069	ARG 322	HB	1.97
8	9 Decynoic acid	−11.8069	GLU 234	HB	1.97
9	Quercetin 3,3′ diglucoside	−11.2637	TYR 108	Pi-Pi Stacking	4.55
			ARG 96	HB	2.66
			VAL 94	HB	1.79
			ALA 227	HB	2.24
			GLU 234	HB	1.62
10	Quercetin 3,7 diglucoside	−7.7494	GLU 234	HB	2.04
			GLU 234	HB	2.16
			TYR 108	Pi-Pi Stacking	4.94
			TYR 106	HB	2.29
			ARG 322	HB	1.71
			HIP 231	Pi-Pi Stacking	3.98
			HIP 232	HB	2.06
11	Methyl 8-oxooctadec-9-ynoate	−6.5642	HIP 232	HB	1.93
11	Methyl 8-oxooctadec-9-ynoate	−6.5642	ARG 96	HB	1.52
12	Methyl Dec-9-ynoate	−4.8041	ARG 96	HB	2.15
13	Methyl non-8-ynoate	−4.4543	ARG 96	HB	2.15
14	(9) Methyl (E)-11-methoxy-9-oxononadec-10-enoate	−2.4721	ARG 96	HB	2.15
15	Beta rosasterol	−1.029	VAL 94	HB	1.78
16	Methyl Sterculate	0.5157	ARG 96	HB	1.84
17	Methyl malvalate	0.7329	ARG 96	HB	1.88
18	Beta sitosterol	1.2521	ALA 227	HB	2.2
19	Campesterol	1.447	ALA 227	HB	2.21
20	Orlistat	−7.2466	ARG 322	HB	2.20
			GLU 234	HB	2.04
			GLU 234	HB	1.66
			HIP 232	HB	2.17

Orlistat, as only standard drug used in market is used as standard reference for docking studies. Hence the docking result of orlistat in all tables is bold for ease of comparison.