TABLE 4.

Molecular docking of potentially toxic components of vine tea.

PDB ID	Pocket size (Xmin Xmax, Ymin Ymax, Zmin Zmax)	Pubchem id	Score (kcal/mol)
3BDY	-55.137 -43.843,-63.747 -51.128,-6.532 6.32	56603655	−6.12
1DGF	17.059 37.69,65.515 85.329,60.61 78.625	15559239	−5.71
		72281	−6.21
		5281672	−6.22
		6072	−8.42
1GKC	57.951 73.263,23.793 38.373,108.689 126.996	54671203	−5.88
		161557	−6.09
		5281672	−6.43
		6072	−7.22
		5280343	−6.14
3NOA	-17.606 -1.512,-1.912 13.828,27.491 52.487	3651377	−5.17
		161557	−6.26
		5280863	−6.07
		5281672	−6.31
		6072	−7.74
		5280343	−6.35
		439533	−6.29
6EHA	8.197 22.295,-8.896 6.105,25.248 42.982	4971	−4.75
		4788	−6.35
		5280343	−6.12
2F8X	79 103,51 85,-22 14	43815	−6.55
		122850	−6.06
		161557	−6.55
		5280863	−6.12
		5281672	−6.57
		4788	−6.45
		6072	−8.63
		5280343	−6.22
		439533	−6.21
1ZTE	26 46,-1.1 16.9,51 67	29327	−5.49
		6072	−7.04
5ACC	5.996 22.284,13.209 31.381,57.414 75.909	104741	−6.36
		6072	−6.66
2W96	-1 25,-10 16,19 45	119307	−4.56
1RTG	10 30,20 36,7.5 21.5	23310222	−5.2
		6072	−6.4
4N0S	-22.432 -7.127,5.408 20.213,34.982 46.184	2146	−3.15
		6072	−6.8
1P22	-15 5,18 38,-23 -3	40486	−6.79
		72320	−6.13
		6072	−6.97
3RLJ	19.021 34.81,-4.706 11.518,-0.91 16.722	67171867	−8.34
		161557	−6.7
		72281	−6.03
		5280863	−6.03
		5281672	-6.14
		4788	-6.6
		6072	−6.16
		5280343	−6.5
		439533	−6.32
3SWR	-12.867 2.786,-10.553 8.655,23.049 40.581	702558	−6.64
		161557	−6.78
		5281672	−6.65
		4788	−6.38
		6072	−7.95
		5280343	−6.62
3RCD	2.899 22.061,-7.118 13.045,19.662 36.368	5280343	−5.99
		161557	−6.06
		5281672	−6.45
		6072	−7.06
5BUA	91.7 111.7,69.5 89.5,-24.9 -4.9	6450226	−3.89
		6072	−6.37