Table 1.

hPepT1 Homology Models

Modela	Binding siteb	Volume (Å3)c	Z- DOPEd	PDB ID (Resolution)e	Identityf	Organismg	Ligandh	Statei
1		141	+0.12	2XUT (3.62 Å)	34%	So	-	Occluded
2		183	−0.13	4APS (3.3 Å)	22%	Sf	-	Unbound Inward-open
3		291	−0.18	4IKZ (2.4 Å)	25%	Gk	Alafosfalin	Inward-open
4		154	−0.099	4D2C (2.47 Å)	22%	St	Ala-Phe	Inward-open
5		239	−0.049	4D2D (2.52 Å)	22%	St	Ala-Ala-Ala	Inward-open

^aModel is the nomenclature used in this article.

^bBinding site shows surface representation of the binding site of the hPepT1 model calculated with POVME 2.0.⁵¹

^cVolume corresponds to the volume of the binding site calculated with the POVME 2.0.

^dZ-DOPE Score is the normalized atomic-distance dependent statistical potential based on known protein structures calculated by MODELLER.

^ePDB ID refers to the Protein Data Bank identifier of the template structure with the resolution of the structure in parentheses.

^fIdentity is the percentage sequence identity between hPepT1 and the template structure calculated by HHPred.⁵²

^gOrganism refers to the organism of the template structure transporter: Shewanella oneidensis (So), Streptococcus thermophilus (St), Geobacillus kaustophilus (Gk).

^hLigand corresponds to the small molecule bound to the binding site of the template structure.

ⁱConformation refers to the conformation of the model.