D-I-TASSER Q8WVE0

D-I-TASSER results for Q8WVE0

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

Summary of the Protein

Uniprot ID: Q8WVE0
Protein Name: EEF1A lysine methyltransferase 1
Gene Name: EEF1AKMT1

Input Sequence in FASTA format

>Q8WVE0 (214 residues)
MSDLEDDETPQLSAHALAALQEFYAEQKQQIEPGEDDKYNIGIIEENWQLSQFWYSQETA
LQLAQEAIAAVGEGGRIACVSAPSVYQKLRELCRENFSIYIFEYDKRFAMYGEEFIFYDY
NNPLDLPERIAAHSFDIVIADPPYLSEECLRKTSETVKYLTRGKILLCTGAIMEEQAAEL
LGVKMCTFVPRHTRNLANEFRCYVNYDSGLDCGI

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	Q8WVE0-D1	1-214	214		MSDLEDDETPQLSAHALAALQEFYAEQKQQIEPGEDDKYNIGIIEENWQLSQFWYSQETALQLAQEAIAAVGEGGRIACVSAPSVYQKLRELCRENFSIYIFEYDKRFAMYGEEFIFYDYNNPLDLPERIAAHSFDIVIADPPYLSEECLRKTSETVKYLTRGKILLCTGAIMEEQAAELLGVKMCTFVPRHTRNLANEFRCYVNYDSGLDCGI

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.7466

(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	6ucaA	0.76	2.48	0.132	0.878	model1_6ucaA.pdb.gz
2	7lo5A	0.71	3.70	0.075	0.921	model1_7lo5A.pdb.gz
3	5hr4C	0.71	3.37	0.080	0.911	model1_5hr4C.pdb.gz
4	3s1sA	0.68	3.90	0.096	0.916	model1_3s1sA.pdb.gz
5	3lkdB	0.68	3.49	0.091	0.883	model1_3lkdB.pdb.gz
6	2b3tA	0.63	3.33	0.134	0.776	model1_2b3tA.pdb.gz
7	1o9hA	0.58	3.14	0.112	0.729	model1_1o9hA.pdb.gz
8	1o0sA1	0.55	4.18	0.086	0.771	model1_1o0sA1.pdb.gz
9	3q87B	0.54	2.67	0.136	0.645	model1_3q87B.pdb.gz
10	4w7sA	0.45	4.43	0.025	0.664	model1_4w7sA.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:0016279	1.00	protein-lysine N-methyltransferase activity
GO:1901363	0.60	heterocyclic compound binding
GO:0097159	0.60	organic cyclic compound 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]

Biological Process (BP)

GO term	Cscore^GO	Name
GO:0008152	0.95	metabolic process
GO:0071704	0.94	organic substance metabolic process
GO:0044238	0.94	primary metabolic process
GO:0044237	0.94	cellular metabolic process
GO:0044260	0.93	cellular macromolecule metabolic process
GO:0043414	0.90	macromolecule methylation
GO:0006479	0.87	protein methylation
GO:0018023	0.86	peptidyl-lysine trimethylation
GO:0090304	0.51	nucleic acid metabolic process

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:0070062	1.00	extracellular exosome
GO:0044464	0.59	cell part
GO:0044424	0.54	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	0.073	3e05D	0.579	3.52	0.150	0.729	2.1.1.132	NA
2	0.067	1dusA	0.576	3.13	0.119	0.701	2.1.1.-	NA
3	0.067	1f38A	0.571	3.24	0.154	0.706	2.1.1.-	NA
4	0.067	2fpoC	0.560	3.48	0.079	0.720	2.1.1.52	NA
5	0.067	3gdhA	0.613	3.46	0.129	0.771	2.1.1.-	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	0.05	1wy7A	0.629	2.63	0.142	0.738	0.13	SAH	complex1.pdb.gz	144,171,173,188,189
2	0.04	3b7pA	0.669	3.63	0.103	0.874	0.29	MTA	complex2.pdb.gz	64,142,170
3	0.04	2hteC	0.664	3.73	0.103	0.874	0.25	MTA	complex3.pdb.gz	57,167,168,170,171,190,191,196,199
4	0.04	1sg9B	0.622	3.65	0.105	0.790	0.28	GLN	complex4.pdb.gz	53,168,169,171
5	0.04	2e5wA	0.633	4.04	0.109	0.878	0.17	MTA	complex5.pdb.gz	52,141,196
6	0.03	2o06A	0.648	3.88	0.097	0.878	0.19	MTA	complex6.pdb.gz	169,170,172,175
7	0.03	3anxB	0.648	3.87	0.109	0.878	0.23	MTA	complex7.pdb.gz	140,141,142
8	0.03	2o05B	0.639	4.16	0.098	0.888	0.23	MTA	complex8.pdb.gz	152,153,168,169,170
9	0.03	2bh2A	0.670	4.05	0.103	0.883	0.13	SF4	complex9.pdb.gz	141,143,144
10	0.03	2o06B	0.649	3.87	0.097	0.878	0.25	MTA	complex10.pdb.gz	52,81,145,174

	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.