D-I-TASSER A0A1B0GTR3

D-I-TASSER results for A0A1B0GTR3

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

Summary of the Protein

Uniprot ID: A0A1B0GTR3
Protein Name: Uncharacterized protein CXorf51A
Gene Name: CXorf51A

Input Sequence in FASTA format

>A0A1B0GTR3 (108 residues)
MAKVTSEPQKPNEDVDEQTPSTSSTKGRKKGKTPRQRRSRSGVKGLKTTRKAKRPLRGSS
SQKAGETNTPAGKPKKARGPILRGRYHRLKEKMKKEEADKEQSETSVL

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	A0A1B0GTR3-D1	1-108	108		MAKVTSEPQKPNEDVDEQTPSTSSTKGRKKGKTPRQRRSRSGVKGLKTTRKAKRPLRGSSSQKAGETNTPAGKPKKARGPILRGRYHRLKEKMKKEEADKEQSETSVL

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.5116

(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	5y9dA3	0.62	3.33	0.081	0.861	model1_5y9dA3.pdb.gz
2	5ys9A	0.61	3.42	0.063	0.852	model1_5ys9A.pdb.gz
3	5k3gA	0.61	2.84	0.075	0.824	model1_5k3gA.pdb.gz
4	5k3jA	0.61	2.91	0.066	0.815	model1_5k3jA.pdb.gz
5	2o78A2	0.60	3.58	0.050	0.852	model1_2o78A2.pdb.gz
6	4onsA	0.60	3.02	0.104	0.787	model1_4onsA.pdb.gz
7	2d4xA	0.60	3.44	0.058	0.880	model1_2d4xA.pdb.gz
8	2nyfA	0.60	3.67	0.060	0.843	model1_2nyfA.pdb.gz
9	5ez3A	0.59	3.73	0.028	0.843	model1_5ez3A.pdb.gz
10	4u0qA	0.59	3.49	0.032	0.870	model1_4u0qA.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

./A0A1B0GTR3-D1/GOsearchresult_final_MF.svg

Molecular Function (MF)

GO term	Cscore^GO	Name
GO:0005198	0.19	structural molecule activity
GO:0051015	0.13	actin filament binding
GO:0045296	0.13	cadherin binding

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]

./A0A1B0GTR3-D1/GOsearchresult_final_BP.svg

Biological Process (BP)

GO term	Cscore^GO	Name
GO:2001241	0.07	positive regulation of extrinsic apoptotic signaling pathway in absence of ligand
GO:2001240	0.07	negative regulation of extrinsic apoptotic signaling pathway in absence of ligand
GO:2001045	0.07	negative regulation of integrin-mediated signaling pathway
GO:2000146	0.07	negative regulation of cell motility
GO:0090136	0.07	epithelial cell-cell adhesion
GO:0071973	0.07	bacterial-type flagellum-dependent cell motility
GO:0071681	0.07	cellular response to indole-3-methanol
GO:0060134	0.07	prepulse inhibition
GO:0051823	0.07	regulation of synapse structural plasticity
GO:0051291	0.07	protein heterooligomerization
GO:0051289	0.07	protein homotetramerization
GO:0048854	0.07	brain morphogenesis
GO:0048813	0.07	dendrite morphogenesis
GO:0045880	0.07	positive regulation of smoothened signaling pathway
GO:0043627	0.07	response to estrogen
GO:0043297	0.07	apical junction assembly
GO:0042475	0.07	odontogenesis of dentin-containing tooth
GO:0034613	0.07	cellular protein localization
GO:0031103	0.07	axon regeneration
GO:0021942	0.07	radial glia guided migration of Purkinje cell
GO:0016264	0.07	gap junction assembly
GO:0009800	0.07	cinnamic acid biosynthetic process
GO:0009072	0.07	aromatic amino acid family metabolic process
GO:0008584	0.07	male gonad development
GO:0007568	0.07	aging
GO:0007409	0.07	axonogenesis
GO:0007406	0.07	negative regulation of neuroblast proliferation
GO:0007163	0.07	establishment or maintenance of cell polarity
GO:0007015	0.07	actin filament organization
GO:0001541	0.07	ovarian follicle development

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]

./A0A1B0GTR3-D1/GOsearchresult_final_CC.svg

Cellular Component (CC)

GO term	Cscore^GO	Name
GO:0044464	1.00	cell part
GO:0005737	0.75	cytoplasm
GO:0043228	0.62	non-membrane-bounded organelle
GO:0042995	0.62	cell projection

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	2hvgA	0.529	3.71	0.049	0.787	4.3.2.2	NA
2	0.060	1w27A	0.563	3.23	0.039	0.787	4.3.1.24	NA
3	0.060	1dofA	0.529	3.30	0.064	0.713	4.3.2.2	25
4	0.060	3gzhA	0.533	3.59	0.078	0.787	4.3.2.2	25
5	0.060	1f1oA	0.532	3.66	0.000	0.778	4.3.2.2	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	0.01	3mk7D	0.585	3.46	0.063	0.852	0.57	CA	complex1.pdb.gz	59,64,73

	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.