D-I-TASSER Q9BTA9

D-I-TASSER results for Q9BTA9

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

Summary of the Protein

Uniprot ID: Q9BTA9
Protein Name: WW domain-containing adapter protein with coiled-coil
Gene Name: WAC

Input Sequence in FASTA format

>Q9BTA9 (647 residues)
MVMYARKQQRLSDGCHDRRGDSQPYQALKYSSKSHPSSGDHRHEKMRDAGDPSPPNKMLR
RSDSPENKYSDSTGHSKAKNVHTHRVRERDGGTSYSPQENSHNHSALHSSNSHSSNPSNN
PSKTSDAPYDSADDWSEHISSSGKKYYYNCRTEVSQWEKPKEWLEREQRQKEANKMAVNS
FPKDRDYRREVMQATATSGFASGMEDKHSSDASSLLPQNILSQTSRHNDRDYRLPRAETH
SSSTPVQHPIKPVVHPTATPSTVPSSPFTLQSDHQPKKSFDANGASTLSKLPTPTSSVPA
QKTERKESTSGDKPVSHSCTTPSTSSASGLNPTSAPPTSASAVPVSPVPQSPIPPLLQDP
NLLRQLLPALQATLQLNNSNVDISKINEVLTAAVTQASLQSIIHKFLTAGPSAFNITSLI
SQAAQLSTQAQPSNQSPMSLTSDASSPRSYVSPRISTPQTNTVPIKPLISTPPVSSQPKV
STPVVKQGPVSQSATQQPVTADKQQGHEPVSPRSLQRSSSQRSPSPGPNHTSNSSNASNA
TVVPQNSSARSTCSLTPALAAHFSENLIKHVQGWPADHAEKQASRLREEAHNMGTIHMSE
ICTELKNLRSLVRVCEIQATLREQRILFLRQQIKELEKLKNQNSFMV

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	Q9BTA9-D1	1-647	647		MVMYARKQQRLSDGCHDRRGDSQPYQALKYSSKSHPSSGDHRHEKMRDAGDPSPPNKMLRRSDSPENKYSDSTGHSKAKNVHTHRVRERDGGTSYSPQENSHNHSALHSSNSHSSNPSNNPSKTSDAPYDSADDWSEHISSSGKKYYYNCRTEVSQWEKPKEWLEREQRQKEANKMAVNSFPKDRDYRREVMQATATSGFASGMEDKHSSDASSLLPQNILSQTSRHNDRDYRLPRAETHSSSTPVQHPIKPVVHPTATPSTVPSSPFTLQSDHQPKKSFDANGASTLSKLPTPTSSVPAQKTERKESTSGDKPVSHSCTTPSTSSASGLNPTSAPPTSASAVPVSPVPQSPIPPLLQDPNLLRQLLPALQATLQLNNSNVDISKINEVLTAAVTQASLQSIIHKFLTAGPSAFNITSLISQAAQLSTQAQPSNQSPMSLTSDASSPRSYVSPRISTPQTNTVPIKPLISTPPVSSQPKVSTPVVKQGPVSQSATQQPVTADKQQGHEPVSPRSLQRSSSQRSPSPGPNHTSNSSNASNATVVPQNSSARSTCSLTPALAAHFSENLIKHVQGWPADHAEKQASRLREEAHNMGTIHMSEICTELKNLRSLVRVCEIQATLREQRILFLRQQIKELEKLKNQNSFMV

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.4454

(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	6ez8A	0.37	8.00	0.054	0.592	model1_6ez8A.pdb.gz
2	3jcrA	0.36	8.14	0.040	0.583	model1_3jcrA.pdb.gz
3	5h64A	0.34	8.24	0.044	0.563	model1_5h64A.pdb.gz
4	6z2wE	0.34	7.74	0.040	0.538	model1_6z2wE.pdb.gz
5	5x6oC	0.34	8.12	0.037	0.550	model1_5x6oC.pdb.gz
6	6mu1A	0.34	7.67	0.031	0.533	model1_6mu1A.pdb.gz
7	5fvmA	0.34	8.01	0.040	0.544	model1_5fvmA.pdb.gz
8	6emkA	0.33	8.34	0.033	0.555	model1_6emkA.pdb.gz
9	6edoA	0.33	8.26	0.034	0.539	model1_6edoA.pdb.gz
10	6u5vB	0.32	7.57	0.037	0.496	model1_6u5vB.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:0019899	0.82	enzyme binding
GO:0003682	0.82	chromatin binding
GO:0000993	0.81	RNA polymerase II core 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:0071704	0.99	organic substance metabolic process
GO:0009987	0.99	cellular process
GO:0044260	0.98	cellular macromolecule metabolic process
GO:0044238	0.98	primary metabolic process
GO:0065007	0.89	biological regulation
GO:0050789	0.89	regulation of biological process
GO:0050794	0.87	regulation of cellular process
GO:0019222	0.86	regulation of metabolic process
GO:0080090	0.85	regulation of primary metabolic process
GO:0060255	0.85	regulation of macromolecule metabolic process
GO:0031323	0.85	regulation of cellular metabolic process
GO:2000112	0.84	regulation of cellular macromolecule biosynthetic process
GO:0048518	0.84	positive regulation of biological process
GO:0019219	0.84	regulation of nucleobase-containing compound metabolic process
GO:0016043	0.84	cellular component organization
GO:0010468	0.84	regulation of gene expression
GO:0050896	0.83	response to stimulus
GO:0031325	0.83	positive regulation of cellular metabolic process
GO:0022402	0.83	cell cycle process
GO:0019538	0.83	protein metabolic process
GO:0010604	0.83	positive regulation of macromolecule metabolic process
GO:0006355	0.83	regulation of transcription, DNA-templated
GO:0071894	0.82	histone H2B conserved C-terminal lysine ubiquitination
GO:0045893	0.82	positive regulation of transcription, DNA-templated
GO:0044783	0.82	G1 DNA damage checkpoint
GO:0010390	0.82	histone monoubiquitination
GO:0032268	0.53	regulation of cellular protein metabolic process
GO:0031324	0.53	negative regulation of cellular metabolic process
GO:0010605	0.53	negative regulation of macromolecule metabolic process
GO:0042176	0.52	regulation of protein catabolic process
GO:0032435	0.51	negative regulation of proteasomal ubiquitin-dependent protein catabolic process
GO:0016239	0.51	positive regulation of macroautophagy

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:0044428	0.99	nuclear part
GO:0005654	0.76	nucleoplasm
GO:0043229	0.67	intracellular organelle
GO:0032991	0.66	macromolecular complex
GO:0030529	0.60	intracellular ribonucleoprotein complex
GO:0005681	0.59	spliceosomal complex
GO:0043231	0.58	intracellular membrane-bounded organelle
GO:0005634	0.54	nucleus

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	1ynnJ	0.119	6.83	0.023	0.176	2.7.7.6	NA
2	0.060	2ckjA	0.226	8.20	0.028	0.377	1.17.1.4 1.17.3.2	NA
3	0.060	3btaA	0.220	8.44	0.015	0.369	3.4.24.69	NA
4	0.060	2pffB	0.154	7.47	0.041	0.235	2.3.1.86	NA
5	0.060	3ecqB	0.253	7.91	0.030	0.403	3.2.1.97	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:

No Binding sites was predicted

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

	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.