Table 1.

Docking results for the four candidate transporters, xylE (self-docking) and Gxf1

Protein name	Xylose		Glucose
	Affinity	Δ RMSD from crystal	Affinity	Δ RMSD from crystal
xylE	− 5.8	1.776	− 6	0.619
SuL	− 5.0	0.948	− 5.8	1.166
Gxf1	− 5.3	1.085	− 5.7	1.296
SpH	− 5.4	2.274	− 5.5	2.252
SpX	− 5.5	2.454	− 6	2.668
SpG	− 5.5	2.300	− 5.6	1.223

Affinity represents the stability of the ligand in the binding site (the more negative the better), and ΔRMSD represents the difference in pose between docked prediction and xylE crystal position