D-I-TASSER Q5TAH2

D-I-TASSER results for Q5TAH2

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

Summary of the Protein

Uniprot ID: Q5TAH2
Protein Name: Sodium/hydrogen exchanger 11
Gene Name: SLC9C2

Input Sequence in FASTA format

>Q5TAH2 (1124 residues)
MSSYFWAQNESNRPDLLCGQPADYLVEEKHFTTLVCFIVVLGGLLKMCLKNCEVIVLTIL
SLSGFVIGHMAYNSVEVHQIVYPLLRTSSFSLYSYFSPLIIFMVALDVEFYTLKKMFWQV
LLTGLISFSTASIIIGYVVIKFNKDSWDLQSCLLFSITLGIIDPLRSVNSLKTIGISKIY
IDLIRGESLIICSIASIFFGNFRGNRIHFSIFRDLHVGIELSYDILGSIIFGYWCAKIIQ
CILADVFSNMLTNIILCFSMVYMTFYIVEFLGMSGTLALAAVGLNLDSLTFKPKIELVIT
KFLRIFSSVYEHLIYAFFGIVIGCGELSHYEFHTIPFIFILFTTVNLVRLLTILLVSPIL
MHSNYEYNWRWGVVITWSGIKGVFNLLWAPDVYNLAERKVEVPQMFILYVQVISLLTMGI
NSYVMTQSARKLDLCVLSLPRQMILQNATQHIQEIVQNTITLFKTEKILTNVNWTLVEDK
TRIEYIPFSHVSHNDMKTESTTDEALMEEARLHVAAIQMSSFEKQRNNGILEIEAARILI
GAAKCYYSIQGKFMSIYDVSTYMRTRSWLIKFKNVLTFLEYCIEKIHFIPPESNTFLTFI
FHIVFSEEFEYTGQIINLIYIYPMIIHLWPMARGLNVSALISINYYFMFLYVLESTLKII
ILKRKYFQQCWNTLEFFILVIGIIDIFCVYFVKLRPDNLALIQLTVIMGYLRIIRFLPLF
KIIVPILIRIADVQIKKRLSLMYSITKGYIKSQEDAKLLIKQIAVCESIYQKLCEILETN
KQDAVKELVLMEHEGRDVVIALKTKQAIRNVIAKALKNLTFLCSRGIIDKHEVIEINKVL
LKKLKALNNFPKAIPPPTPDIYLHNIIWLEGKDVLIDFFKERAKLACFDSGDTICKGGEM
PQGIYLIISGMAILHSLSPTFGIESNQRCDRGSRDMFTEFCTTGDIIGELSCLLKREIEY
TVICETSLQACFISLEDLYEGFDAFWPSLEYKIWLKLALSTAYQYFESSLIDEDLRFQNC
VMFNQAYVETLSSYSDMIIDNMTMKFVIIVYGSVIDTKTEEPYFAPCIIPTTCEQVQGTS
DLSKLLIIQASELTQRNSNTNVMASVNTVFEQPGKNINGRQKMS

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 AttentionPotential. 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	Q5TAH2-D1	1-88,737-940	292		MSSYFWAQNESNRPDLLCGQPADYLVEEKHFTTLVCFIVVLGGLLKMCLKNCEVIVLTILSLSGFVIGHMAYNSVEVHQIVYPLLRTSKRLSLMYSITKGYIKSQEDAKLLIKQIAVCESIYQKLCEILETNKQDAVKELVLMEHEGRDVVIALKTKQAIRNVIAKALKNLTFLCSRGIIDKHEVIEINKVLLKKLKALNNFPKAIPPPTPDIYLHNIIWLEGKDVLIDFFKERAKLACFDSGDTICKGGEMPQGIYLIISGMAILHSLSPTFGIESNQRCDRGSRDMFTEF
2	Q5TAH2-D2	89-502	414		SFSLYSYFSPLIIFMVALDVEFYTLKKMFWQVLLTGLISFSTASIIIGYVVIKFNKDSWDLQSCLLFSITLGIIDPLRSVNSLKTIGISKIYIDLIRGESLIICSIASIFFGNFRGNRIHFSIFRDLHVGIELSYDILGSIIFGYWCAKIIQCILADVFSNMLTNIILCFSMVYMTFYIVEFLGMSGTLALAAVGLNLDSLTFKPKIELVITKFLRIFSSVYEHLIYAFFGIVIGCGELSHYEFHTIPFIFILFTTVNLVRLLTILLVSPILMHSNYEYNWRWGVVITWSGIKGVFNLLWAPDVYNLAERKVEVPQMFILYVQVISLLTMGINSYVMTQSARKLDLCVLSLPRQMILQNATQHIQEIVQNTITLFKTEKILTNVNWTLVEDKTRIEYIPFSHVSHNDMKTESTT
3	Q5TAH2-D3	503-565,1067-1124	121		DEALMEEARLHVAAIQMSSFEKQRNNGILEIEAARILIGAAKCYYSIQGKFMSIYDVSTYMRTCIIPTTCEQVQGTSDLSKLLIIQASELTQRNSNTNVMASVNTVFEQPGKNINGRQKMS
4	Q5TAH2-D4	566-736,941-1066	297		RSWLIKFKNVLTFLEYCIEKIHFIPPESNTFLTFIFHIVFSEEFEYTGQIINLIYIYPMIIHLWPMARGLNVSALISINYYFMFLYVLESTLKIIILKRKYFQQCWNTLEFFILVIGIIDIFCVYFVKLRPDNLALIQLTVIMGYLRIIRFLPLFKIIVPILIRIADVQIKCTTGDIIGELSCLLKREIEYTVICETSLQACFISLEDLYEGFDAFWPSLEYKIWLKLALSTAYQYFESSLIDEDLRFQNCVMFNQAYVETLSSYSDMIIDNMTMKFVIIVYGSVIDTKTEEPYFAP

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.41

(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 AttentionPotential, 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	5xsyA	0.32	6.70	0.084	0.401	model1_5xsyA.pdb.gz
2	6lqaB	0.31	7.02	0.097	0.406	model1_6lqaB.pdb.gz
3	5x0mA	0.31	7.20	0.071	0.407	model1_5x0mA.pdb.gz
4	7k18A2	0.31	6.68	0.091	0.393	model1_7k18A2.pdb.gz
5	7dsvA	0.30	3.66	0.129	0.326	model1_7dsvA.pdb.gz
6	7cu3A	0.30	7.63	0.059	0.396	model1_7cu3A.pdb.gz
7	4m5dA	0.30	8.40	0.041	0.426	model1_4m5dA.pdb.gz
8	4czbA	0.30	2.34	0.158	0.305	model1_4czbA.pdb.gz
9	4cz8A	0.29	2.29	0.145	0.302	model1_4cz8A.pdb.gz
10	4bedA	0.29	9.43	0.026	0.451	model1_4bedA.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:0008324	0.99	cation transmembrane transporter activity
GO:0046873	0.95	metal ion transmembrane transporter activity
GO:0015077	0.87	monovalent inorganic cation transmembrane transporter activity
GO:0015081	0.84	sodium ion transmembrane transporter activity
GO:0022804	0.58	active transmembrane transporter activity
GO:0015291	0.57	secondary active transmembrane transporter activity
GO:0015078	0.55	hydrogen ion transmembrane transporter activity
GO:0005216	0.55	ion channel activity
GO:0015299	0.54	solute:proton antiporter activity
GO:0015385	0.53	sodium:proton antiporter activity
GO:0015079	0.53	potassium ion transmembrane transporter activity
GO:0005261	0.53	cation channel activity
GO:0005244	0.50	voltage-gated ion channel 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:0065007	0.96	biological regulation
GO:0065008	0.93	regulation of biological quality
GO:0044699	0.86	single-organism process
GO:0009987	0.84	cellular process
GO:0006810	0.80	transport
GO:0044763	0.78	single-organism cellular process
GO:0006811	0.75	ion transport
GO:0030001	0.70	metal ion transport
GO:0055085	0.67	transmembrane transport
GO:0034220	0.62	ion transmembrane transport
GO:0015672	0.59	monovalent inorganic cation transport
GO:0006814	0.58	sodium ion transport
GO:0098662	0.54	inorganic cation transmembrane transport
GO:0035725	0.52	sodium ion transmembrane transport
GO:0006813	0.50	potassium ion transport

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:0044464	1.00	cell part
GO:0016020	0.99	membrane
GO:0005886	0.92	plasma membrane

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	0.060	1ea0A	0.268	9.82	0.045	0.437	1.4.1.13	NA
2	0.060	2pdaA	0.263	9.99	0.029	0.437	1.2.7.1	NA
3	0.060	2j5wA	0.246	10.13	0.035	0.412	1.16.3.1	NA
4	0.060	2zxqA	0.250	10.03	0.026	0.415	3.2.1.97	NA
5	0.060	2jfdA	0.154	6.62	0.026	0.199	2.3.1.85	307,314

	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:

Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
1	0.01	2e1qA	0.261	9.63	0.040	0.417	0.13	UUU	complex1.pdb.gz	168,189,190,382,386
2	0.01	1ofdA	0.271	9.27	0.039	0.422	0.16	FMN	complex2.pdb.gz	54,55,61,166,748,749,750,752
3	0.01	3nvyC	0.215	8.50	0.034	0.316	0.19	QUE	complex3.pdb.gz	60,64,128,158,159,194,195
4	0.01	3eubU	0.211	8.46	0.037	0.310	0.19	XAN	complex4.pdb.gz	56,124,161,374
5	0.01	3b9jB	0.111	6.88	0.043	0.146	0.14	FAD	complex5.pdb.gz	55,217,225
6	0.01	3nvvC	0.215	8.48	0.034	0.316	0.17	UUU	complex6.pdb.gz	162,163,164,414
7	0.01	1vdvA	0.261	9.63	0.027	0.417	0.21	YSH	complex7.pdb.gz	194,195,196,276,277,749
8	0.01	3nvzC	0.214	8.52	0.032	0.316	0.36	I3A	complex8.pdb.gz	58,61,65,128,158
9	0.01	2vdcB	0.268	9.62	0.034	0.427	0.12	FMN	complex9.pdb.gz	61,62,739
10	0.01	3eubC	0.214	8.78	0.034	0.321	0.31	XAN	complex10.pdb.gz	123,127,351,352

	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.