D-I-TASSER O14656

D-I-TASSER results for O14656

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

Summary of the Protein

Uniprot ID: O14656
Protein Name: Torsin-1A
Gene Name: TOR1A

Input Sequence in FASTA format

>O14656 (332 residues)
MKLGRAVLGLLLLAPSVVQAVEPISLGLALAGVLTGYIYPRLYCLFAECCGQKRSLSREA
LQKDLDDNLFGQHLAKKIILNAVFGFINNPKPKKPLTLSLHGWTGTGKNFVSKIIAENIY
EGGLNSDYVHLFVATLHFPHASNITLYKDQLQLWIRGNVSACARSIFIFDEMDKMHAGLI
DAIKPFLDYYDLVDGVSYQKAMFIFLSNAGAERITDVALDFWRSGKQREDIKLKDIEHAL
SVSVFNNKNSGFWHSSLIDRNLIDYFVPFLPLEYKHLKMCIRVEMQSRGYEIDEDIVSRV
AEEMTFFPKEERVFSDKGCKTVFTKLDYYYDD

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	O14656-D1	1-269	269		MKLGRAVLGLLLLAPSVVQAVEPISLGLALAGVLTGYIYPRLYCLFAECCGQKRSLSREALQKDLDDNLFGQHLAKKIILNAVFGFINNPKPKKPLTLSLHGWTGTGKNFVSKIIAENIYEGGLNSDYVHLFVATLHFPHASNITLYKDQLQLWIRGNVSACARSIFIFDEMDKMHAGLIDAIKPFLDYYDLVDGVSYQKAMFIFLSNAGAERITDVALDFWRSGKQREDIKLKDIEHALSVSVFNNKNSGFWHSSLIDRNLIDYFVPF
2	O14656-D2	270-332	63		LPLEYKHLKMCIRVEMQSRGYEIDEDIVSRVAEEMTFFPKEERVFSDKGCKTVFTKLDYYYDD

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	5j1sA	0.80	1.50	0.945	0.825	model1_5j1sA.pdb.gz
2	1qvrA	0.70	3.91	0.157	0.855	model1_1qvrA.pdb.gz
3	6e101	0.70	4.12	0.140	0.882	model1_6e101.pdb.gz
4	5kneA	0.69	3.86	0.136	0.849	model1_5kneA.pdb.gz
5	4ciuA	0.68	3.56	0.153	0.816	model1_4ciuA.pdb.gz
6	6ahfC	0.68	3.86	0.140	0.846	model1_6ahfC.pdb.gz
7	6lt4A	0.67	3.95	0.125	0.819	model1_6lt4A.pdb.gz
8	6w6gA	0.66	3.40	0.149	0.765	model1_6w6gA.pdb.gz
9	6em8A	0.66	4.34	0.139	0.843	model1_6em8A.pdb.gz
10	6azyA	0.64	4.04	0.159	0.795	model1_6azyA.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:0003824	0.94	catalytic activity
GO:0016787	0.93	hydrolase activity
GO:0016887	0.91	ATPase 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	0.95	cellular process
GO:0022607	0.83	cellular component assembly
GO:0051260	0.82	protein homooligomerization
GO:0065007	0.77	biological regulation
GO:0044699	0.77	single-organism process
GO:0050789	0.74	regulation of biological process
GO:0050794	0.72	regulation of cellular process
GO:0044763	0.70	single-organism cellular process
GO:0006996	0.70	organelle organization
GO:0008152	0.65	metabolic process
GO:0071763	0.63	nuclear membrane organization
GO:0071704	0.63	organic substance metabolic process
GO:0044238	0.62	primary metabolic process
GO:0044237	0.61	cellular metabolic process
GO:0006810	0.61	transport
GO:0051649	0.60	establishment of localization in cell
GO:0048518	0.60	positive regulation of biological process
GO:0043170	0.60	macromolecule metabolic process
GO:0051641	0.59	cellular localization
GO:0044260	0.59	cellular macromolecule metabolic process
GO:0040011	0.59	locomotion
GO:0065008	0.58	regulation of biological quality
GO:0048522	0.58	positive regulation of cellular process
GO:0019538	0.58	protein metabolic process
GO:0023051	0.57	regulation of signaling
GO:0010646	0.57	regulation of cell communication
GO:0006508	0.57	proteolysis
GO:0006464	0.57	cellular protein modification process
GO:0070646	0.56	protein modification by small protein removal
GO:0060627	0.56	regulation of vesicle-mediated transport
GO:0051128	0.56	regulation of cellular component organization
GO:0051050	0.56	positive regulation of transport
GO:0044765	0.56	single-organism transport
GO:0007155	0.56	cell adhesion
GO:0006457	0.56	protein folding
GO:2000008	0.55	regulation of protein localization to cell surface
GO:1900244	0.55	positive regulation of synaptic vesicle endocytosis
GO:0072321	0.55	chaperone-mediated protein transport
GO:0071712	0.55	ER-associated misfolded protein catabolic process
GO:0061077	0.55	chaperone-mediated protein folding
GO:0051584	0.55	regulation of dopamine uptake involved in synaptic transmission
GO:0048489	0.55	synaptic vesicle transport
GO:0045104	0.55	intermediate filament cytoskeleton organization
GO:0044319	0.55	wound healing, spreading of cells
GO:0034504	0.55	protein localization to nucleus
GO:0031175	0.55	neuron projection development
GO:0006998	0.55	nuclear envelope organization
GO:0000338	0.55	protein deneddylation

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:0044444	0.98	cytoplasmic part
GO:0044446	0.94	intracellular organelle part
GO:0043227	0.80	membrane-bounded organelle
GO:0043229	0.79	intracellular organelle
GO:0043231	0.78	intracellular membrane-bounded organelle
GO:0044432	0.75	endoplasmic reticulum part
GO:0044428	0.74	nuclear part
GO:0005788	0.74	endoplasmic reticulum lumen
GO:0005635	0.72	nuclear envelope
GO:0031988	0.66	membrane-bounded vesicle
GO:0016020	0.62	membrane
GO:0044425	0.53	membrane 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	0.066	1njgA	0.499	3.09	0.099	0.584	2.7.7.7	107
2	0.066	2c9oC	0.541	3.70	0.157	0.654	3.6.1.-	NA
3	0.060	2epoA	0.396	5.74	0.030	0.596	3.2.1.52	170,171
4	0.060	1ixsB	0.529	2.85	0.142	0.602	3.6.4.12	NA
5	0.060	3gqbA	0.410	5.20	0.050	0.569	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:

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	0.57	3hwsB	0.622	3.28	0.154	0.726	1.19	ADP	complex1.pdb.gz	68,69,70,104,105,106,107,108,109,110,280,319,320
	2	0.10	1ofhB	0.585	3.19	0.159	0.678	1.40	PO4	complex2.pdb.gz	102,103,104,108,170,171

	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.