D-I-TASSER Q6IMI4

D-I-TASSER results for Q6IMI4

[Click result.zip to download all results on this page]

Summary of the Protein

Uniprot ID: Q6IMI4
Protein Name: Sulfotransferase 6B1
Gene Name: SULT6B1

Input Sequence in FASTA format

>Q6IMI4 (303 residues)
MADKSKFIEYIDEALEKSKETALSHLFFTYQGIPYPITMCTSETFQALDTFEARHDDIVL
ASYPKCGSNWILHIVSELIYAVSKKKYKYPEFPVLECGDSEKYQRMKGFPSPRILATHLH
YDKLPGSIFENKAKILVIFRNPKDTAVSFLHFHNDVPDIPSYGSWDEFFRQFMKGQVSWG
RYFDFAINWNKHLDGDNVKFILYEDLKENLAAGIKQIAEFLGFFLTGEQIQTISVQSTFQ
AMRAKSQDTHGAVGPFLFRKGEVGDWKNLFSEIQNQEMDEKFKECLAGTSLGAKLKYESY
CQG

Predicted Contact and Distance Map Used in D-I-TASSER simulation

Contact Map

Distance Map

D-I-TASSER simulation is guided by the consensus contact map (left figure) and distance map (right figure) derived based on confidence scores of DeepPotential. In the contact, distance map and hydrogen bond networks, the axes mark the residue index along the sequence. For the contact map, each dot represents a residue pair with predicted contact, while for the distance map and hydrogen bond network, a color scale represents a distance of 1-20+ angstroms or a angle of 0-180 degree.

Information of Domain

No. of Domain	Domain	Domain Boundary	Length of Domain	Models of Domain	Sequence
1	Q6IMI4-D1	1-303	303		MADKSKFIEYIDEALEKSKETALSHLFFTYQGIPYPITMCTSETFQALDTFEARHDDIVLASYPKCGSNWILHIVSELIYAVSKKKYKYPEFPVLECGDSEKYQRMKGFPSPRILATHLHYDKLPGSIFENKAKILVIFRNPKDTAVSFLHFHNDVPDIPSYGSWDEFFRQFMKGQVSWGRYFDFAINWNKHLDGDNVKFILYEDLKENLAAGIKQIAEFLGFFLTGEQIQTISVQSTFQAMRAKSQDTHGAVGPFLFRKGEVGDWKNLFSEIQNQEMDEKFKECLAGTSLGAKLKYESYCQG

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.8268

(a)

D-I-TASSER simulations generate a large ensemble of structural conformations, i.e. decoys. These decoys are clustered by SPICKER based on pairwise structure similarity to report up to five final models from the five largest clusters. Models are ranked in descending order of cluster size. If the simulations converge well, it is possible to have less than 5 models generated, which is usually an indication of good model quality.

(b)

The model confidence is quantitatified by estimated TM-score (eTM-score), calculated based on significance of threading template alignments, contact map satisfaction rate, mean absolute error between distance of model and distance of DeepPotential, and convergence of D-I-TASSER simulations. eTM-score is typically in the range of [0, 1], with higher eTM-score signifies higher model confidence.

Proteins with similar structure

Top 10 structural analogs in PDB (as identified by TM-align)

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	Download Alignment
1	3cklB	0.89	1.41	0.311	0.914	model1_3cklB.pdb.gz
2	2zytX	0.88	1.33	0.297	0.911	model1_2zytX.pdb.gz
3	1z28A	0.88	1.32	0.307	0.904	model1_1z28A.pdb.gz
4	1q20A	0.87	1.68	0.278	0.911	model1_1q20A.pdb.gz
5	1fmjA	0.84	2.41	0.199	0.924	model1_1fmjA.pdb.gz
6	1j99A	0.83	2.10	0.292	0.894	model1_1j99A.pdb.gz
7	1q44A	0.74	2.86	0.264	0.832	model1_1q44A.pdb.gz
8	2h8kA	0.73	1.61	0.315	0.766	model1_2h8kA.pdb.gz
9	1zd1A	0.72	2.36	0.263	0.795	model1_1zd1A.pdb.gz
10	3mg9A	0.61	3.68	0.218	0.736	model1_3mg9A.pdb.gz

(a)	Query structure is shown in cartoon, while the structural analog is displayed using backbone trace.
(b)	Ranking of proteins is based on TM-score of the structural alignment between the query structure and known structures in the PDB library.
(c)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(e)	Cov. represents the coverage of the alignment by TM-align and is equal to the number of structurally aligned residues divided by length of the query protein.

Predicted Gene Ontology (GO) Terms

Molecular Function (MF)

GO term	Cscore^GO	Name
GO:0008146	1.00	sulfotransferase activity
GO:0004062	0.89	aryl sulfotransferase activity
GO:0050294	0.73	steroid sulfotransferase activity
GO:0004304	0.60	estrone sulfotransferase activity
GO:0047894	0.56	flavonol 3-sulfotransferase activity

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Molecular Function. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Biological Process (BP)

GO term	Cscore^GO	Name
GO:0009987	0.99	cellular process
GO:0008152	0.98	metabolic process
GO:0044237	0.97	cellular metabolic process
GO:0006790	0.95	sulfur compound metabolic process
GO:0051923	0.92	sulfation
GO:0071704	0.88	organic substance metabolic process
GO:0044710	0.87	single-organism metabolic process
GO:1901360	0.86	organic cyclic compound metabolic process
GO:0044763	0.86	single-organism cellular process
GO:0044238	0.86	primary metabolic process
GO:1901564	0.84	organonitrogen compound metabolic process
GO:0044281	0.84	small molecule metabolic process
GO:0006725	0.84	cellular aromatic compound metabolic process
GO:0050427	0.83	3'-phosphoadenosine 5'-phosphosulfate metabolic process
GO:0065007	0.67	biological regulation
GO:0042445	0.66	hormone metabolic process
GO:0006805	0.65	xenobiotic metabolic process
GO:0008210	0.63	estrogen metabolic process
GO:1901615	0.58	organic hydroxy compound metabolic process
GO:0009812	0.58	flavonoid metabolic process
GO:0018958	0.57	phenol-containing compound metabolic process
GO:0006584	0.54	catecholamine metabolic process

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Biological Process. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Cellular Component (CC)

GO term	Cscore^GO	Name
GO:0044424	1.00	intracellular part
GO:0005737	0.93	cytoplasm
GO:0044444	0.88	cytoplasmic part
GO:0005829	0.82	cytosol

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Cellular Component. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Predicted Enzyme Commission (EC) Numbers

Top 5 enzyme homologs in PDB

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	EC Number	Predicted Active Site Residues
1	0.203	1g3mA	0.869	1.66	0.305	0.901	2.8.2.4	NA
2	0.192	1j99A	0.826	2.10	0.292	0.894	2.8.2.14 2.8.2.2	NA
3	0.176	2ad1A	0.766	1.61	0.332	0.805	2.8.2.-	NA
4	0.172	1cjmA	0.706	1.63	0.350	0.736	2.8.2.1	NA
5	0.163	1zd1A	0.722	2.36	0.263	0.795	2.8.2.-	NA

	Click on the radio buttons to visualize predicted active site residues.
(a)	Cscore^EC is the confidence score for the Enzyme Commission (EC) number prediction. Cscore^EC values range in between [0-1]; where a higher score indicates a more reliable EC number prediction.
(b)	TM-score is a measure of global structural similarity between query and template protein.
(c)	RMSD^a is the RMSD between residues that are structurally aligned by TM-align.
(d)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(e)	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.

Predicted Ligand Binding Sites

Template proteins with similar binding site:

Click to view	Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
	1	0.83	3bfxA	0.789	1.58	0.336	0.825	1.44	A3P	complex1.pdb.gz	65,66,67,68,69,70,140,148,203,237,238,239,242,258,259,260,261
	2	0.30	3mgcA	0.576	3.44	0.205	0.683	1.39	PME	complex2.pdb.gz	65,67,69,70,140,203

	Click on the radio buttons to visualize predicted binding site and residues.
(a)	Cscore^LB is the confidence score of predicted binding site. Cscore^LB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction.
(b)	BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
(c)	TM-score is a measure of global structural similarity between query and template protein.
(d)	RMSD^a the RMSD between residues that are structurally aligned by TM-align.
(e)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(f)	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.

[Click result.zip to download all results on this page]

References:
1.	Wei Zheng, Chengxin Zhang, Yang Li, Robin Pearce, Eric W. Bell, Yang Zhang. Folding non-homology proteins by coupling deep-learning contact maps with I-TASSER assembly simulations. In preparation, 2020.