D-I-TASSER Q8IYW5

D-I-TASSER results for Q8IYW5

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

Summary of the Protein

Uniprot ID: Q8IYW5
Protein Name: E3 ubiquitin-protein ligase RNF168
Gene Name: RNF168

Input Sequence in FASTA format

>Q8IYW5 (571 residues)
MALPKDAIPSLSECQCGICMEILVEPVTLPCNHTLCKPCFQSTVEKASLCCPFCRRRVSS
WTRYHTRRNSLVNVELWTIIQKHYPRECKLRASGQESEEVADDYQPVRLLSKPGELRREY
EEEISKVAAERRASEEEENKASEEYIQRLLAEEEEEEKRQAEKRRRAMEEQLKSDEELAR
KLSIDINNFCEGSISASPLNSRKSDPVTPKSEKKSKNKQRNTGDIQKYLTPKSQFGSASH
SEAVQEVRKDSVSKDIDSSDRKSPTGQDTEIEDMPTLSPQISLGVGEQGADSSIESPMPW
LCACGAEWYHEGNVKTRPSNHGKELCVLSHERPKTRVPYSKETAVMPCGRTESGCAPTSG
VTQTNGNNTGETENEESCLLISKEISKRKNQESSFEAVKDPCFSAKRRKVSPESSPDQEE
TEINFTQKLIDLEHLLFERHKQEEQDRLLALQLQKEVDKEQMVPNRQKGSPDEYHLRATS
SPPDKVLNGQRKNPKDGNFKRQTHTKHPTPERGSRDKNRQVSLKMQLKQSVNRRKMPNST
RDHCKVSKSAHSLQPSISQKSVFQMFQRCTK

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	Q8IYW5-D1	1-571	571		MALPKDAIPSLSECQCGICMEILVEPVTLPCNHTLCKPCFQSTVEKASLCCPFCRRRVSSWTRYHTRRNSLVNVELWTIIQKHYPRECKLRASGQESEEVADDYQPVRLLSKPGELRREYEEEISKVAAERRASEEEENKASEEYIQRLLAEEEEEEKRQAEKRRRAMEEQLKSDEELARKLSIDINNFCEGSISASPLNSRKSDPVTPKSEKKSKNKQRNTGDIQKYLTPKSQFGSASHSEAVQEVRKDSVSKDIDSSDRKSPTGQDTEIEDMPTLSPQISLGVGEQGADSSIESPMPWLCACGAEWYHEGNVKTRPSNHGKELCVLSHERPKTRVPYSKETAVMPCGRTESGCAPTSGVTQTNGNNTGETENEESCLLISKEISKRKNQESSFEAVKDPCFSAKRRKVSPESSPDQEETEINFTQKLIDLEHLLFERHKQEEQDRLLALQLQKEVDKEQMVPNRQKGSPDEYHLRATSSPPDKVLNGQRKNPKDGNFKRQTHTKHPTPERGSRDKNRQVSLKMQLKQSVNRRKMPNSTRDHCKVSKSAHSLQPSISQKSVFQMFQRCTK

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.4355

(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	4xc6A	0.38	7.99	0.037	0.630	model1_4xc6A.pdb.gz
2	6h02A	0.36	7.76	0.037	0.594	model1_6h02A.pdb.gz
3	6fb3A	0.36	7.59	0.045	0.571	model1_6fb3A.pdb.gz
4	1kekA	0.35	7.42	0.037	0.557	model1_1kekA.pdb.gz
5	4bedA	0.35	7.73	0.042	0.564	model1_4bedA.pdb.gz
6	5w1hA	0.35	7.92	0.062	0.576	model1_5w1hA.pdb.gz
7	1wygA	0.34	8.01	0.054	0.574	model1_1wygA.pdb.gz
8	6rc9A1	0.34	7.47	0.038	0.548	model1_6rc9A1.pdb.gz
9	5azaA	0.34	8.05	0.052	0.583	model1_5azaA.pdb.gz
10	5a22A	0.34	7.19	0.060	0.518	model1_5a22A.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	0.95	catalytic activity
GO:0004842	0.93	ubiquitin-protein transferase 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	0.97	cellular process
GO:0065007	0.96	biological regulation
GO:0050789	0.95	regulation of biological process
GO:0050794	0.94	regulation of cellular process
GO:0044238	0.92	primary metabolic process
GO:0044237	0.92	cellular metabolic process
GO:0043170	0.92	macromolecule metabolic process
GO:0044260	0.91	cellular macromolecule metabolic process
GO:0019538	0.87	protein metabolic process
GO:0080090	0.82	regulation of primary metabolic process
GO:0031323	0.82	regulation of cellular metabolic process
GO:0060255	0.81	regulation of macromolecule metabolic process
GO:0006464	0.81	cellular protein modification process
GO:0070647	0.80	protein modification by small protein conjugation or removal
GO:0016567	0.79	protein ubiquitination
GO:0019219	0.74	regulation of nucleobase-containing compound metabolic process
GO:0048518	0.73	positive regulation of biological process
GO:0048522	0.71	positive regulation of cellular process
GO:0031326	0.70	regulation of cellular biosynthetic process
GO:0010556	0.70	regulation of macromolecule biosynthetic process
GO:0006355	0.69	regulation of transcription, DNA-templated
GO:0048519	0.66	negative regulation of biological process
GO:0048523	0.65	negative regulation of cellular process
GO:0031325	0.63	positive regulation of cellular metabolic process
GO:0010604	0.63	positive regulation of macromolecule metabolic process
GO:0000209	0.63	protein polyubiquitination
GO:0048583	0.62	regulation of response to stimulus
GO:0090304	0.61	nucleic acid metabolic process
GO:0080134	0.57	regulation of response to stress
GO:0050896	0.57	response to stimulus
GO:0006259	0.56	DNA metabolic process
GO:0051052	0.55	regulation of DNA metabolic process
GO:0048584	0.54	positive regulation of response to stimulus
GO:0044699	0.54	single-organism process
GO:0031324	0.54	negative regulation of cellular metabolic process
GO:0006950	0.54	response to stress
GO:0010605	0.53	negative regulation of macromolecule metabolic process
GO:0006508	0.51	proteolysis
GO:0002376	0.51	immune system process
GO:0016043	0.50	cellular component organization

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:0044464	1.00	cell part
GO:0044424	0.99	intracellular part
GO:0043226	0.81	organelle
GO:0043229	0.80	intracellular organelle
GO:0044446	0.79	intracellular organelle part
GO:0032991	0.78	macromolecular complex
GO:0043227	0.70	membrane-bounded organelle
GO:0043231	0.69	intracellular membrane-bounded organelle
GO:0005634	0.67	nucleus
GO:0043234	0.59	protein complex
GO:0044427	0.58	chromosomal part
GO:0044428	0.56	nuclear part
GO:1990234	0.51	transferase complex

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	2r7oA	0.337	8.18	0.052	0.576	2.7.7.48	104,450
2	0.060	1ub2A	0.305	7.81	0.037	0.504	1.11.1.7	NA
3	0.060	3c46B	0.317	7.12	0.046	0.480	2.7.7.6	NA
4	0.060	1br2A	0.270	7.81	0.038	0.443	3.6.1.32	NA
5	0.060	3b9jJ	0.194	6.46	0.026	0.282	1.17.1.4 1.17.3.2	59

	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	2ckjA	0.324	8.06	0.054	0.543	0.85	FES	complex1.pdb.gz	18,19,20,22,36,54
2	0.01	3eubS	0.131	5.32	0.073	0.173	0.72	FES	complex2.pdb.gz	15,16,17,18,19,20,36,39
3	0.01	2ckjA	0.324	8.06	0.054	0.543	0.84	FES	complex3.pdb.gz	17,19,36,37,39,40

	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.