Molecular Phylogeny and Predicted 3D Structure of Plant beta-D-𝑁-Acetylhexosaminidase

Table 3

Top 5 enzyme homologs in PDB by COFACTOR.

Rank	Cscore^EC	PDB Hit	TM-score	RMSD	IDEN	Cov	EC number	Predicted active site residues
1	0.576	2gjxA	0.776	2.53	0.300	0.825	3.2.1.52	330, 331
2	0.512	1hp4A	0.698	3.47	0.236	0.781	3.2.1.52	330, 331
3	0.508	3gh4A	0.706	3.64	0.244	0.795	3.2.1.52	330, 331
4	0.173	1o7aA	0.784	2.34	0.338	0.825	3.2.1.52	330, 331
5	0.142	1yhtA	0.502	3.60	0.166	0.565	3.2.1.52	330, 331

Cscore^EC is the confidence score for the enzyme classification (EC) number prediction. Cscore^EC values range in between [0-1], where a higher score indicates a more reliable EC number prediction.
TM-score is a measure of global structural similarity between query and template protein.
RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
IDEN^a is the percentage sequence identity in the structurally aligned region.
Cov. represents the coverage of global structural alignment and is equal to the number of structurally aligned residues divided by length of the query protein.