D-I-TASSER Q5NDL2

D-I-TASSER results for Q5NDL2

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

Summary of the Protein

Uniprot ID: Q5NDL2
Protein Name: EGF domain-specific O-linked N-acetylglucosamine transferase
Gene Name: EOGT

Input Sequence in FASTA format

>Q5NDL2 (527 residues)
MLMLFVFGVLLHEVSLSGQNEAPPNTHSIPGEPLYNYASIRLPEEHIPFFLHNNRHIATV
CRKDSLCPYKKHLEKLKYCWGYEKSCKPEFRFGYPVCSYVDMGWTDTLESAEDIFWKQAD
FGYARERLEEMHVLCQPKETSDSSLVCSRYLQYCRATNLYLDLRNIKRNHDRFKEDFFQS
GEIGGHCKLDIRTLTSEGQRKSPLQSWFAELQSYTQLNFRPIEDAKCDIVIEKPTYFMKL
DAGVNMYHHFCDFINLYITQHVNNSFSTDVYIVMWDTSSYGYGDLFSDTWNAFTDYDVIH
LKTYDSKRVCFKEAVFSLLPRMRYGLFYNTPLISGCQNTGLFRAFAQHVLHRLNITQEGP
KDGKIRVTILARSTEYRKILNQNELVNALKTVSTFEVQIVDYKYRELGFLDQLRITHNTD
IFIGMHGAGLTHLLFLPDWAAVFELYNCEDERCYLDLARLRGVHYITWRRQNKVFPQDKG
HHPTLGEHPKFTNYSFDVEEFMYLVLQAADHVLQHPKWPFKKKHDEL

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	Q5NDL2-D1	1-76	76		MLMLFVFGVLLHEVSLSGQNEAPPNTHSIPGEPLYNYASIRLPEEHIPFFLHNNRHIATVCRKDSLCPYKKHLEKL
2	Q5NDL2-D2	77-129	53		KYCWGYEKSCKPEFRFGYPVCSYVDMGWTDTLESAEDIFWKQADFGYARERLE
3	Q5NDL2-D3	130-336	207		EMHVLCQPKETSDSSLVCSRYLQYCRATNLYLDLRNIKRNHDRFKEDFFQSGEIGGHCKLDIRTLTSEGQRKSPLQSWFAELQSYTQLNFRPIEDAKCDIVIEKPTYFMKLDAGVNMYHHFCDFINLYITQHVNNSFSTDVYIVMWDTSSYGYGDLFSDTWNAFTDYDVIHLKTYDSKRVCFKEAVFSLLPRMRYGLFYNTPLISGC
4	Q5NDL2-D4	337-527	191		QNTGLFRAFAQHVLHRLNITQEGPKDGKIRVTILARSTEYRKILNQNELVNALKTVSTFEVQIVDYKYRELGFLDQLRITHNTDIFIGMHGAGLTHLLFLPDWAAVFELYNCEDERCYLDLARLRGVHYITWRRQNKVFPQDKGHHPTLGEHPKFTNYSFDVEEFMYLVLQAADHVLQHPKWPFKKKHDEL

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.71

(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	7e9jA	0.60	3.33	0.173	0.674	model1_7e9jA.pdb.gz
2	4rapA	0.41	5.39	0.074	0.543	model1_4rapA.pdb.gz
3	2w00B	0.40	7.19	0.058	0.626	model1_2w00B.pdb.gz
4	3s27A	0.39	6.21	0.041	0.550	model1_3s27A.pdb.gz
5	5lr8A	0.39	6.85	0.025	0.581	model1_5lr8A.pdb.gz
6	7c2xA	0.38	5.16	0.082	0.499	model1_7c2xA.pdb.gz
7	2aw3A	0.38	7.66	0.054	0.632	model1_2aw3A.pdb.gz
8	4qlbA	0.38	6.80	0.061	0.581	model1_4qlbA.pdb.gz
9	4rbnA	0.38	6.40	0.056	0.546	model1_4rbnA.pdb.gz
10	6x99A	0.38	7.50	0.062	0.622	model1_6x99A.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:0016758	1.00	transferase activity, transferring hexosyl groups
GO:0008194	1.00	UDP-glycosyltransferase activity
GO:0008375	0.99	acetylglucosaminyltransferase activity
GO:0016262	0.87	protein N-acetylglucosaminyltransferase activity
GO:0008378	0.70	galactosyltransferase 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:0006486	1.00	protein glycosylation
GO:0006493	0.99	protein O-linked glycosylation

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:0044444	1.00	cytoplasmic part
GO:0016020	1.00	membrane
GO:0043229	0.89	intracellular organelle
GO:0043231	0.80	intracellular membrane-bounded organelle
GO:0044446	0.78	intracellular organelle part
GO:0000139	0.72	Golgi membrane
GO:0005783	0.69	endoplasmic reticulum
GO:0005911	0.50	cell-cell junction
GO:0005829	0.50	cytosol
GO:0005737	0.50	cytoplasm

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	2uv8G	0.377	7.43	0.033	0.609	2.3.1.86	NA
2	0.060	3dzcB	0.371	4.98	0.063	0.472	5.1.3.14	NA
3	0.060	1pswA	0.361	4.46	0.051	0.438	2.4.99.-	410,434
4	0.060	2qtcB	0.345	7.19	0.036	0.539	1.2.4.1	459
5	0.060	1dgjA	0.348	7.18	0.047	0.552	1.2.-.-	526

	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	0.04	1pygB	0.375	7.61	0.062	0.611	0.28	PDP	complex1.pdb.gz	253,286,289,429,430,431,432
2	0.03	2fetA	0.376	7.60	0.060	0.613	0.12	H53	complex2.pdb.gz	421,430,431,432
3	0.03	1pygC	0.381	6.73	0.044	0.569	0.24	PDP	complex3.pdb.gz	408,409,427,428,429,432
4	0.01	1exvB	0.375	6.50	0.042	0.550	0.22	700	complex4.pdb.gz	286,287,290,407,408,409
5	0.01	2qllA	0.372	7.53	0.049	0.598	0.19	III	complex5.pdb.gz	248,411,428
6	0.01	3cuvA	0.379	7.45	0.051	0.611	0.11	475	complex6.pdb.gz	429,430,431,432
7	0.01	2f3pA	0.378	7.72	0.060	0.622	0.11	4GP	complex7.pdb.gz	424,429,430,431
8	0.01	3s29B	0.392	6.11	0.037	0.552	0.12	UDP	complex8.pdb.gz	433,434,435
9	0.01	1ggnA	0.383	7.46	0.051	0.617	0.16	GLS	complex9.pdb.gz	429,431,432
10	0.01	1ygpB	0.388	6.00	0.052	0.541	0.27	PLP	complex10.pdb.gz	425,426,427,430,455

	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.