D-I-TASSER Q8N2H9

D-I-TASSER results for Q8N2H9

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

Summary of the Protein

Uniprot ID: Q8N2H9
Protein Name: E3 ubiquitin-protein ligase pellino homolog 3
Gene Name: PELI3

Input Sequence in FASTA format

>Q8N2H9 (469 residues)
MVLEGNPEVGSPRTSDLQHRGNKGSCVLSSPGEDAQPGEEPIKYGELIVLGCCEEGGEET
EAQRGEVTGPRAHSCYNGCLASGDKGRRRSRLALSRRSHANGVKPDVMHHISTPLVSKAL
SNRGQHSISYTLSRSHSVIVEYTHDSDTDMFQIGRSTENMIDFVVTDTSPGGGAAEGPSA
QSTISRYACRILCDRRPPYTARIYAAGFDASSNIFLGERAAKWRTPDGLMDGLTTNGVLV
MHPAGGFSEDSAPGVWREISVCGNVYTLRDSRSAQQRGKLVENESNVLQDGSLIDLCGAT
LLWRTPAGLLRAPTLKQLEAQRQEANAARPQCPVGLSTLAFPSPARGRTAPDKQQPWVYV
RCGHVHGYHGWGCRRERGPQERECPLCRLVGPYVPLWLGQEAGLCLDPGPPSHAFAPCGH
VCSEKTARYWAQTPLPHGTHAFHAACPFCGAWLTGEHGCVRLIFQGPLD

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	Q8N2H9-D1	1-96,304-469	262		MVLEGNPEVGSPRTSDLQHRGNKGSCVLSSPGEDAQPGEEPIKYGELIVLGCCEEGGEETEAQRGEVTGPRAHSCYNGCLASGDKGRRRSRLALSRRTPAGLLRAPTLKQLEAQRQEANAARPQCPVGLSTLAFPSPARGRTAPDKQQPWVYVRCGHVHGYHGWGCRRERGPQERECPLCRLVGPYVPLWLGQEAGLCLDPGPPSHAFAPCGHVCSEKTARYWAQTPLPHGTHAFHAACPFCGAWLTGEHGCVRLIFQGPLD
2	Q8N2H9-D2	97-303	207		RSHANGVKPDVMHHISTPLVSKALSNRGQHSISYTLSRSHSVIVEYTHDSDTDMFQIGRSTENMIDFVVTDTSPGGGAAEGPSAQSTISRYACRILCDRRPPYTARIYAAGFDASSNIFLGERAAKWRTPDGLMDGLTTNGVLVMHPAGGFSEDSAPGVWREISVCGNVYTLRDSRSAQQRGKLVENESNVLQDGSLIDLCGATLLW

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.47

(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	3egbA	0.43	2.36	0.649	0.456	model1_3egbA.pdb.gz
2	6ts8A	0.37	7.57	0.033	0.625	model1_6ts8A.pdb.gz
3	6eojA	0.37	7.68	0.050	0.629	model1_6eojA.pdb.gz
4	4zhjA	0.35	7.35	0.037	0.578	model1_4zhjA.pdb.gz
5	4cvuA	0.35	7.71	0.040	0.610	model1_4cvuA.pdb.gz
6	6w1sK	0.35	7.20	0.032	0.578	model1_6w1sK.pdb.gz
7	1llwA2	0.35	7.99	0.032	0.627	model1_1llwA2.pdb.gz
8	3dx4A	0.35	7.03	0.034	0.556	model1_3dx4A.pdb.gz
9	2vzvA	0.31	7.42	0.030	0.505	model1_2vzvA.pdb.gz
10	3cmgA	0.29	7.61	0.025	0.499	model1_3cmgA.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	0.69	catalytic activity
GO:0016740	0.64	transferase activity
GO:0004842	0.60	ubiquitin-protein transferase activity
GO:0061630	0.59	ubiquitin protein ligase 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:0009966	1.00	regulation of signal transduction
GO:0048518	0.87	positive regulation of biological process
GO:0048522	0.84	positive regulation of cellular process
GO:0080090	0.74	regulation of primary metabolic process
GO:0060255	0.74	regulation of macromolecule metabolic process
GO:0031323	0.74	regulation of cellular metabolic process
GO:0048584	0.73	positive regulation of response to stimulus
GO:1902533	0.71	positive regulation of intracellular signal transduction
GO:0031399	0.69	regulation of protein modification process
GO:0048519	0.65	negative regulation of biological process
GO:0048523	0.62	negative regulation of cellular process
GO:0031325	0.56	positive regulation of cellular metabolic process
GO:0010604	0.56	positive regulation of macromolecule metabolic process
GO:0009987	0.53	cellular process
GO:0048585	0.51	negative regulation of response to stimulus
GO:0031401	0.51	positive regulation of protein modification process
GO:0002682	0.50	regulation of immune system 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:0044424	1.00	intracellular part
GO:0044444	0.85	cytoplasmic part
GO:0005829	0.81	cytosol

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	2pffD	0.332	7.39	0.034	0.556	2.3.1.86	214
2	0.060	2qnoA	0.317	7.28	0.054	0.522	3.2.1.4	162
3	0.060	3dy5A	0.324	7.39	0.043	0.529	1.13.11.40 4.2.1.92	NA
4	0.060	1ygpA	0.318	6.96	0.042	0.501	2.4.1.1	NA
5	0.060	1b0pA	0.333	7.33	0.035	0.546	1.2.7.1	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	0.01	1lm1A	0.345	7.60	0.027	0.584	0.17	FMN	complex1.pdb.gz	150,209,210
2	0.01	1llwA	0.344	7.48	0.019	0.576	0.20	FMN	complex2.pdb.gz	6,33,286,288
3	0.01	3pgfA	0.287	7.04	0.047	0.465	0.14	GLC	complex3.pdb.gz	9,87,88,188
4	0.01	3c4mA	0.310	7.37	0.040	0.518	0.17	III	complex4.pdb.gz	142,143,207
5	0.01	1t0kA	0.299	7.04	0.035	0.486	0.17	MTT	complex5.pdb.gz	10,11,34,35,101,106
6	0.01	1ms0B	0.340	7.09	0.052	0.548	0.12	UUU	complex6.pdb.gz	131,236,238,270
7	0.01	3mp1A	0.320	7.79	0.046	0.563	0.16	MAL	complex7.pdb.gz	9,10,187,188
8	0.01	3bvvA	0.345	7.04	0.034	0.552	0.17	MPD	complex8.pdb.gz	102,142,207
9	0.01	3f5fA	0.339	8.02	0.044	0.614	0.12	A3P	complex9.pdb.gz	152,153,154
10	0.01	1llzA	0.344	7.62	0.030	0.586	0.20	FMN	complex10.pdb.gz	96,207,208,238

	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.