D-I-TASSER Q8IUF1

D-I-TASSER results for Q8IUF1

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

Summary of the Protein

Uniprot ID: Q8IUF1
Protein Name: COBW domain-containing protein 2
Gene Name: CBWD2

Input Sequence in FASTA format

>Q8IUF1 (395 residues)
MLPAVGSADEEEDPAEEDCPELVPMETTQSEEEEKSGLGAKIPVTIITGYLGAGKTTLLN
YILTEQHSKRVAVILNEFGEGSALEKSLAVSQGGELYEEWLELRNGCLCCSVKDNGLRAI
ENLMQKKGKFDYILLETTGLADPGAVASMFWVDAELGSDIYLDGIITIVDSKYGLKHLAE
EKPDGLINEATRQVALADAILINKTDLVPEEDVKKLRATIRSINGLGQILETQRSRVDLS
NVLDLHAFDSLSGISLQKKLQHVPGTQPHLDQSIVTITFEVPGNAKEEHLNMFIQNLLWE
KNVRNKDNHCMEVIRLKGLVSIKDKSQQVIVQGVHELYDLEETPVSWKDDTERTNRLVLL
GRNLDKDILKQLFIATVTETEKQWTTHFKEDQVCT

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	Q8IUF1-D1	1-273	273		MLPAVGSADEEEDPAEEDCPELVPMETTQSEEEEKSGLGAKIPVTIITGYLGAGKTTLLNYILTEQHSKRVAVILNEFGEGSALEKSLAVSQGGELYEEWLELRNGCLCCSVKDNGLRAIENLMQKKGKFDYILLETTGLADPGAVASMFWVDAELGSDIYLDGIITIVDSKYGLKHLAEEKPDGLINEATRQVALADAILINKTDLVPEEDVKKLRATIRSINGLGQILETQRSRVDLSNVLDLHAFDSLSGISLQKKLQHVPGTQPHLDQS
2	Q8IUF1-D2	274-395	122		IVTITFEVPGNAKEEHLNMFIQNLLWEKNVRNKDNHCMEVIRLKGLVSIKDKSQQVIVQGVHELYDLEETPVSWKDDTERTNRLVLLGRNLDKDILKQLFIATVTETEKQWTTHFKEDQVCT

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.62

(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	6zywY	0.64	4.19	0.103	0.787	model1_6zywY.pdb.gz
2	5a4jA	0.52	4.92	0.094	0.689	model1_5a4jA.pdb.gz
3	7c11A	0.51	4.69	0.095	0.673	model1_7c11A.pdb.gz
4	3do6A	0.51	4.89	0.102	0.678	model1_3do6A.pdb.gz
5	1eg7A	0.51	5.05	0.094	0.671	model1_1eg7A.pdb.gz
6	4xc6A	0.50	5.02	0.109	0.658	model1_4xc6A.pdb.gz
7	1nijA	0.49	3.01	0.310	0.542	model1_1nijA.pdb.gz
8	2bejA	0.38	3.78	0.176	0.461	model1_2bejA.pdb.gz
9	4v02A	0.38	3.92	0.157	0.461	model1_4v02A.pdb.gz
10	1gzdA	0.31	6.27	0.043	0.461	model1_1gzdA.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:0046914	1.00	transition metal ion binding
GO:0003924	1.00	GTPase activity
GO:0042802	0.59	identical protein binding
GO:1901363	0.53	heterocyclic compound binding
GO:0097159	0.53	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:0009987	1.00	cellular process
GO:0044699	0.72	single-organism process
GO:0008152	0.68	metabolic process
GO:0071704	0.66	organic substance metabolic process
GO:0044763	0.66	single-organism cellular process
GO:0044237	0.63	cellular metabolic process
GO:0006807	0.62	nitrogen compound metabolic process
GO:0034641	0.61	cellular nitrogen compound metabolic process
GO:1901360	0.60	organic cyclic compound metabolic process
GO:0046483	0.60	heterocycle metabolic process
GO:0006725	0.60	cellular aromatic compound metabolic process
GO:0044710	0.59	single-organism metabolic process
GO:0044281	0.58	small molecule metabolic process
GO:1901564	0.57	organonitrogen compound metabolic process
GO:1901576	0.56	organic substance biosynthetic process
GO:0044271	0.56	cellular nitrogen compound biosynthetic process
GO:1901566	0.55	organonitrogen compound biosynthetic process
GO:1901362	0.55	organic cyclic compound biosynthetic process
GO:0019438	0.55	aromatic compound biosynthetic process
GO:0018130	0.55	heterocycle biosynthetic process
GO:0050896	0.53	response to stimulus
GO:0006974	0.52	cellular response to DNA damage stimulus

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:0043226	0.84	organelle
GO:0043229	0.83	intracellular organelle
GO:0043231	0.82	intracellular membrane-bounded organelle
GO:0044446	0.80	intracellular organelle part
GO:0009507	0.75	chloroplast
GO:0009570	0.72	chloroplast stroma

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	0.121	2wtzD	0.402	5.80	0.057	0.575	6.3.2.13	48,55
2	0.120	2wtzB	0.418	5.83	0.063	0.598	6.3.2.13	48,55
3	0.060	1e1cA	0.400	6.53	0.042	0.638	5.4.99.2	NA
4	0.060	1g8kA	0.395	6.59	0.047	0.623	1.20.98.1	NA
5	0.060	1cp2A	0.403	3.85	0.156	0.491	1.18.6.1	55

	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	0.11	3p32A	0.440	3.71	0.133	0.524	1.06	GDP	complex1.pdb.gz	52,53,54,55,56,57,203,204,206,232,233

	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.