D-I-TASSER P15313

D-I-TASSER results for P15313

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

Summary of the Protein

Uniprot ID: P15313
Protein Name: V-type proton ATPase subunit B, kidney isoform
Gene Name: ATP6V1B1

Input Sequence in FASTA format

>P15313 (513 residues)
MAMEIDSRPGGLPGSSCNLGAAREHMQAVTRNYITHPRVTYRTVCSVNGPLVVLDRVKFA
QYAEIVHFTLPDGTQRSGQVLEVAGTKAIVQVFEGTSGIDARKTTCEFTGDILRTPVSED
MLGRVFNGSGKPIDKGPVVMAEDFLDINGQPINPHSRIYPEEMIQTGISPIDVMNSIARG
QKIPIFSAAGLPHNEIAAQICRQAGLVKKSKAVLDYHDDNFAIVFAAMGVNMETARFFKS
DFEQNGTMGNVCLFLNLANDPTIERIITPRLALTTAEFLAYQCEKHVLVILTDMSSYAEA
LREVSAAREEVPGRRGFPGYMYTDLATIYERAGRVEGRGGSITQIPILTMPNDDITHPIP
DLTGFITEGQIYVDRQLHNRQIYPPINVLPSLSRLMKSAIGEGMTRKDHGDVSNQLYACY
AIGKDVQAMKAVVGEEALTSEDLLYLEFLQKFEKNFINQGPYENRSVFESLDLGWKLLRI
FPKEMLKRIPQAVIDEFYSREGALQDLAPDTAL

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	P15313-D1	1-110	110		MAMEIDSRPGGLPGSSCNLGAAREHMQAVTRNYITHPRVTYRTVCSVNGPLVVLDRVKFAQYAEIVHFTLPDGTQRSGQVLEVAGTKAIVQVFEGTSGIDARKTTCEFTG
2	P15313-D2	111-393	283		DILRTPVSEDMLGRVFNGSGKPIDKGPVVMAEDFLDINGQPINPHSRIYPEEMIQTGISPIDVMNSIARGQKIPIFSAAGLPHNEIAAQICRQAGLVKKSKAVLDYHDDNFAIVFAAMGVNMETARFFKSDFEQNGTMGNVCLFLNLANDPTIERIITPRLALTTAEFLAYQCEKHVLVILTDMSSYAEALREVSAAREEVPGRRGFPGYMYTDLATIYERAGRVEGRGGSITQIPILTMPNDDITHPIPDLTGFITEGQIYVDRQLHNRQIYPPINVLPSLS
3	P15313-D3	394-513	120		RLMKSAIGEGMTRKDHGDVSNQLYACYAIGKDVQAMKAVVGEEALTSEDLLYLEFLQKFEKNFINQGPYENRSVFESLDLGWKLLRIFPKEMLKRIPQAVIDEFYSREGALQDLAPDTAL

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.85

(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	3gqbB	0.86	1.75	0.548	0.897	model1_3gqbB.pdb.gz
2	6xbwD	0.85	1.98	0.894	0.897	model1_6xbwD.pdb.gz
3	5ze9D	0.85	1.66	0.554	0.883	model1_5ze9D.pdb.gz
4	3j9tB	0.84	2.13	0.780	0.887	model1_3j9tB.pdb.gz
5	2wssA	0.82	3.08	0.219	0.897	model1_2wssA.pdb.gz
6	5dn6A	0.81	2.99	0.206	0.887	model1_5dn6A.pdb.gz
7	6rd4T	0.81	2.93	0.206	0.881	model1_6rd4T.pdb.gz
8	7jg5A	0.80	2.94	0.212	0.875	model1_7jg5A.pdb.gz
9	6q45A	0.80	2.70	0.224	0.858	model1_6q45A.pdb.gz
10	5ze9A	0.80	2.63	0.215	0.858	model1_5ze9A.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:0005215	0.77	transporter activity
GO:0015075	0.76	ion transmembrane transporter activity
GO:0022890	0.75	inorganic cation transmembrane transporter activity
GO:0015078	0.74	hydrogen ion transmembrane transporter activity
GO:0003824	0.53	catalytic 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:0044699	0.92	single-organism process
GO:0065007	0.80	biological regulation
GO:0009987	0.75	cellular process
GO:0006810	0.74	transport
GO:0065008	0.69	regulation of biological quality
GO:0044765	0.65	single-organism transport
GO:0044763	0.65	single-organism cellular process
GO:0042592	0.63	homeostatic process
GO:0098771	0.62	inorganic ion homeostasis
GO:0055080	0.62	cation homeostasis
GO:0055067	0.61	monovalent inorganic cation homeostasis
GO:0006811	0.61	ion transport
GO:0006885	0.60	regulation of pH
GO:0006812	0.60	cation transport
GO:0006818	0.59	hydrogen transport
GO:0015992	0.58	proton transport
GO:0045851	0.56	pH reduction

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	0.99	cell part
GO:0044424	0.94	intracellular part
GO:0044444	0.88	cytoplasmic part
GO:0016020	0.82	membrane
GO:0044446	0.73	intracellular organelle part
GO:0044425	0.65	membrane part
GO:0043226	0.62	organelle
GO:0043227	0.59	membrane-bounded organelle
GO:0032991	0.56	macromolecular complex
GO:0044437	0.54	vacuolar part
GO:0043234	0.54	protein complex
GO:0098796	0.52	membrane protein complex

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	0.408	3b2qA	0.737	3.04	0.511	0.801	3.6.3.14	394
2	0.316	1fx0B	0.773	2.63	0.208	0.842	3.6.3.14	NA
3	0.166	1kmhB	0.772	2.65	0.208	0.842	3.6.3.14	NA
4	0.153	2qe7D	0.752	3.27	0.226	0.852	3.6.1.34	NA
5	0.118	3gqbA	0.780	3.08	0.207	0.860	3.6.3.14	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	0.10	1h8eD	0.760	2.86	0.224	0.840	0.12	UUU	complex1.pdb.gz	332,342,343
2	0.08	1ohhC	0.794	3.07	0.228	0.871	0.39	ANP	complex2.pdb.gz	280,287,288
3	0.07	2xokA	0.806	2.71	0.213	0.867	0.19	ANP	complex3.pdb.gz	278,285,287
4	0.07	2xokD	0.779	2.69	0.213	0.848	0.12	ANP	complex4.pdb.gz	117,118,132,281,288
5	0.04	1efrA	0.812	2.76	0.229	0.875	0.15	III	complex5.pdb.gz	122,123,124
6	0.04	1mabA	0.776	3.20	0.224	0.856	0.22	ATP	complex6.pdb.gz	122,279,340,341
7	0.04	2wpdC	0.809	2.75	0.211	0.871	0.14	ATP	complex7.pdb.gz	50,51,305
8	0.04	1bmfD	0.763	2.81	0.224	0.840	0.12	ADP	complex8.pdb.gz	49,50,309

	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.