TABLE 1.

Structure-based functional predictions of SmgGDS-607 and SmgGDS-558

The table shows analysis of SmgGDS-607 and SmgGDS-558 utilizing the I-TASSER structural and functional prediction software, which reports COFACTOR: structure-based functional predictions. The top five proteins that are shown share similar structural active sites to either SmgGDS-607 or SmgGDS-558. Cscore^EC is the confidence score for the Enzyme Classification (EC) number prediction. Cscore^EC values range between 0 and 1; a higher score indicates a more reliable EC number prediction. TM score is a measure of global structural similarity between query and template protein where scores <0.17 correspond to a random similarity. PDB Hit is the Protein Data Bank signifier.

Rank	Name of enzyme homolog	CscoreEC	PDB hit	TM score	Predicted active site residues
SmgGDS-607
1	Vacuolar ATP synthase subunit H	0.177	1ho8A	0.387	NA
2	PME-1 and PP2A core enzyme	0.157	3c5wA	0.279	372
3	Immunoglobulin A1 protease	0.15	3h09B	0.411	364
4	1,4-α-Glucan-branching enzyme	0.136	3k1dA	0.388	335 and 384
5	Fatty acid synthase subunit α	0.133	2vkzG	0.362	225
SmgGDS-558
1	Vacuolar ATP synthase subunit H	0.25	1ho8A	0.427	282, 284, 289, 291, and 334
2	Protein farnesyltransferase	0.191	3dpyA	0.38	NA
3	PME-1 and PP2A core enzyme	0.181	3c5wA	0.29	239 and 325
4	O-linked GlcNAc transferase	0.163	1w3bA	0.426	311 and 344
5	Immunoglobulin A1 protease	0.162	3h09B	0.418	298 and 315