D-I-TASSER P40879

D-I-TASSER results for P40879

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

Summary of the Protein

Uniprot ID: P40879
Protein Name: Chloride anion exchanger
Gene Name: SLC26A3

Input Sequence in FASTA format

>P40879 (764 residues)
MIEPFGNQYIVARPVYSTNAFEENHKKTGRHHKTFLDHLKVCCSCSPQKAKRIVLSLFPI
ASWLPAYRLKEWLLSDIVSGISTGIVAVLQGLAFALLVDIPPVYGLYASFFPAIIYLFFG
TSRHISVGPFPILSMMVGLAVSGAVSKAVPDRNATTLGLPNNSNNSSLLDDERVRVAAAA
SVTVLSGIIQLAFGILRIGFVVIYLSESLISGFTTAAAVHVLVSQLKFIFQLTVPSHTDP
VSIFKVLYSVFSQIEKTNIADLVTALIVLLVVSIVKEINQRFKDKLPVPIPIEFIMTVIA
AGVSYGCDFKNRFKVAVVGDMNPGFQPPITPDVETFQNTVGDCFGIAMVAFAVAFSVASV
YSLKYDYPLDGNQELIALGLGNIVCGVFRGFAGSTALSRSAVQESTGGKTQIAGLIGAII
VLIVVLAIGFLLAPLQKSVLAALALGNLKGMLMQFAEIGRLWRKDKYDCLIWIMTFIFTI
VLGLGLGLAASVAFQLLTIVFRTQFPKCSTLANIGRTNIYKNKKDYYDMYEPEGVKIFRC
PSPIYFANIGFFRRKLIDAVGFSPLRILRKRNKALRKIRKLQKQGLLQVTPKGFICTVDT
IKDSDEELDNNQIEVLDQPINTTDLPFHIDWNDDLPLNIEVPKISLHSLILDFSAVSFLD
VSSVRGLKSILQEFIRIKVDVYIVGTDDDFIEKLNRYEFFDGEVKSSIFFLTIHDAVLHI
LMKKDYSTSKFNPSQEKDGKIDFTINTNGGLRNRVYEVPVETKF

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	P40879-D1	1-43,507-764	301		MIEPFGNQYIVARPVYSTNAFEENHKKTGRHHKTFLDHLKVCCKCSTLANIGRTNIYKNKKDYYDMYEPEGVKIFRCPSPIYFANIGFFRRKLIDAVGFSPLRILRKRNKALRKIRKLQKQGLLQVTPKGFICTVDTIKDSDEELDNNQIEVLDQPINTTDLPFHIDWNDDLPLNIEVPKISLHSLILDFSAVSFLDVSSVRGLKSILQEFIRIKVDVYIVGTDDDFIEKLNRYEFFDGEVKSSIFFLTIHDAVLHILMKKDYSTSKFNPSQEKDGKIDFTINTNGGLRNRVYEVPVETKF
2	P40879-D2	44-205,325-427	265		SCSPQKAKRIVLSLFPIASWLPAYRLKEWLLSDIVSGISTGIVAVLQGLAFALLVDIPPVYGLYASFFPAIIYLFFGTSRHISVGPFPILSMMVGLAVSGAVSKAVPDRNATTLGLPNNSNNSSLLDDERVRVAAAASVTVLSGIIQLAFGILRIGFVVIYLFQPPITPDVETFQNTVGDCFGIAMVAFAVAFSVASVYSLKYDYPLDGNQELIALGLGNIVCGVFRGFAGSTALSRSAVQESTGGKTQIAGLIGAIIVLIVVLA
3	P40879-D3	206-324,428-506	198		SESLISGFTTAAAVHVLVSQLKFIFQLTVPSHTDPVSIFKVLYSVFSQIEKTNIADLVTALIVLLVVSIVKEINQRFKDKLPVPIPIEFIMTVIAAGVSYGCDFKNRFKVAVVGDMNPGIGFLLAPLQKSVLAALALGNLKGMLMQFAEIGRLWRKDKYDCLIWIMTFIFTIVLGLGLGLAASVAFQLLTIVFRTQFP

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.65

(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	7ch1A	0.55	3.52	0.279	0.603	model1_7ch1A.pdb.gz
2	6rtcA	0.54	3.57	0.277	0.602	model1_6rtcA.pdb.gz
3	5sv9A	0.47	4.13	0.104	0.541	model1_5sv9A.pdb.gz
4	4yzfA	0.46	4.41	0.098	0.550	model1_4yzfA.pdb.gz
5	6caaA	0.45	4.45	0.084	0.535	model1_6caaA.pdb.gz
6	6ki1A	0.45	3.17	0.199	0.496	model1_6ki1A.pdb.gz
7	5i6cA	0.44	4.26	0.067	0.514	model1_5i6cA.pdb.gz
8	5da0A	0.44	3.04	0.161	0.482	model1_5da0A.pdb.gz
9	3qe7A	0.41	4.43	0.107	0.479	model1_3qe7A.pdb.gz
10	5l25A	0.40	3.63	0.136	0.453	model1_5l25A.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:0015103	1.00	inorganic anion transmembrane transporter activity
GO:0015116	0.99	sulfate transmembrane transporter activity
GO:0015291	0.74	secondary active transmembrane transporter activity
GO:0008514	0.72	organic anion transmembrane transporter activity
GO:0022838	0.71	substrate-specific channel activity
GO:0015297	0.71	antiporter activity
GO:0015106	0.71	bicarbonate transmembrane transporter activity
GO:0019531	0.70	oxalate transmembrane transporter activity
GO:0015301	0.70	anion:anion antiporter activity
GO:0005254	0.70	chloride 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:0006810	0.98	transport
GO:0065007	0.97	biological regulation
GO:0006820	0.97	anion transport
GO:0065008	0.96	regulation of biological quality
GO:0015698	0.96	inorganic anion transport
GO:0050801	0.95	ion homeostasis
GO:0009987	0.95	cellular process
GO:0044763	0.94	single-organism cellular process
GO:0006821	0.94	chloride transport
GO:0051453	0.92	regulation of intracellular pH
GO:0042391	0.92	regulation of membrane potential
GO:0015711	0.92	organic anion transport
GO:0055085	0.90	transmembrane transport
GO:0015701	0.90	bicarbonate transport
GO:0098656	0.89	anion transmembrane transport
GO:1902476	0.87	chloride transmembrane 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:0005887	1.00	integral component of plasma membrane
GO:0044424	0.52	intracellular part

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	1e1yA	0.297	7.91	0.039	0.452	2.4.1.1	NA
2	0.060	1l8aA	0.292	8.11	0.036	0.449	1.2.4.1	NA
3	0.060	2ok5A	0.288	7.76	0.037	0.435	3.4.21.47	NA
4	0.060	1q16A	0.283	8.98	0.035	0.482	1.7.99.4	NA
5	0.060	2qllA	0.282	7.86	0.051	0.428	2.4.1.1	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:

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	3cuvA	0.288	8.13	0.045	0.448	0.10	475	complex1.pdb.gz	115,117,118,370,371
2	0.01	1em6A	0.291	7.97	0.049	0.446	0.13	NBG	complex2.pdb.gz	54,58,59
3	0.01	3ms4A	0.286	8.08	0.038	0.442	0.19	21N	complex3.pdb.gz	54,57,58
4	0.01	1fc0A	0.290	7.93	0.038	0.442	0.14	NBG	complex4.pdb.gz	370,371,372
5	0.01	1fc0B	0.287	7.93	0.043	0.439	0.13	NBG	complex5.pdb.gz	57,58,379
6	0.01	1l5rA	0.288	8.01	0.043	0.441	0.12	NBG	complex6.pdb.gz	413,414,415
7	0.01	3mrtA	0.288	8.15	0.042	0.449	0.13	12E	complex7.pdb.gz	57,196,200
8	0.01	1b4dA	0.292	7.95	0.051	0.448	0.11	CRA	complex8.pdb.gz	409,410,411,412
9	0.01	1xmsA	0.159	6.92	0.071	0.229	0.19	ANP	complex9.pdb.gz	78,79,80
10	0.01	1p29A	0.302	7.85	0.056	0.458	0.23	GLC	complex10.pdb.gz	64,65,67,73,120

	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.