D-I-TASSER Q8NA31

D-I-TASSER results for Q8NA31

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

Summary of the Protein

Uniprot ID: Q8NA31
Protein Name: Telomere repeats-binding bouquet formation protein 1
Gene Name: TERB1

Input Sequence in FASTA format

>Q8NA31 (727 residues)
MESEDTKKTQEMKTDLNLLLECLKYQMDNAFSQKEALVTIHSICQQNSNASVYFREIGGL
MFVKNLAKSSEHSMVKEAALYTLGAIAEKNVYCQQTLCTSELFEDLTWFLSNDSNINLKR
MSVYVILVLVSNNRTGQTLVRETGCITVLSRLFRTVISKHELDLSDKNVFQSYQLWSSVC
STLCVCVNNPQNDENQMFCCSLFPHANEWLKNCTTPEIIRPICSFIGLTLANNTYVQKYF
VSVGGLDVLSQVLMQLESDSHETLSSAKLAVVVTKTVDACIADNPTFGIVLSKYHIVSKL
LALLLHESLDSGEKFSIMLTLGHCTEDCEENQYDLFKNNGLPLMIQALTESQNEELNKAA
TFVLHNCKKITEKLSLSLGEYPFDENETQQLKDISVKENNLEEHWRKAKEILHRIEQLER
EGNEEEIQRENYQDNISSMNISIQNTWKHLHADRIGRGSKAEDEDKSHSRQLQSYKSHGV
MSKACTNDDQMKTPLKSANPVHACYRESEQNKTLYKAKSSCNQNLHEETTFEKNFVSQSS
DHVFKHPVHIAKNIKQQLPVTDPFTLCSDIINKEVVSFLATPSCSEMLTYRCSGCIAVEK
SLNSRNFSKLLHSCPYQCDRHKVIVEAEDRYKSELRKSLICNKKILLTPRRRQRLSNEST
TPGGIKKRRIRKNFTEEEVNYLFNGVKKMGNHWNSILWSFPFQQGRKAVDLAHKYHKLTK
HPTCAAS

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 DeepPotential. 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	Q8NA31-D1	1-69	69		MESEDTKKTQEMKTDLNLLLECLKYQMDNAFSQKEALVTIHSICQQNSNASVYFREIGGLMFVKNLAKS
2	Q8NA31-D2	70-727	658		SEHSMVKEAALYTLGAIAEKNVYCQQTLCTSELFEDLTWFLSNDSNINLKRMSVYVILVLVSNNRTGQTLVRETGCITVLSRLFRTVISKHELDLSDKNVFQSYQLWSSVCSTLCVCVNNPQNDENQMFCCSLFPHANEWLKNCTTPEIIRPICSFIGLTLANNTYVQKYFVSVGGLDVLSQVLMQLESDSHETLSSAKLAVVVTKTVDACIADNPTFGIVLSKYHIVSKLLALLLHESLDSGEKFSIMLTLGHCTEDCEENQYDLFKNNGLPLMIQALTESQNEELNKAATFVLHNCKKITEKLSLSLGEYPFDENETQQLKDISVKENNLEEHWRKAKEILHRIEQLEREGNEEEIQRENYQDNISSMNISIQNTWKHLHADRIGRGSKAEDEDKSHSRQLQSYKSHGVMSKACTNDDQMKTPLKSANPVHACYRESEQNKTLYKAKSSCNQNLHEETTFEKNFVSQSSDHVFKHPVHIAKNIKQQLPVTDPFTLCSDIINKEVVSFLATPSCSEMLTYRCSGCIAVEKSLNSRNFSKLLHSCPYQCDRHKVIVEAEDRYKSELRKSLICNKKILLTPRRRQRLSNESTTPGGIKKRRIRKNFTEEEVNYLFNGVKKMGNHWNSILWSFPFQQGRKAVDLAHKYHKLTKHPTCAAS

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.75

(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 DeepPotential, 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	6wg3E	0.51	6.73	0.089	0.713	model1_6wg3E.pdb.gz
2	6yvuD	0.49	5.90	0.065	0.627	model1_6yvuD.pdb.gz
3	6zz6D	0.47	6.74	0.048	0.655	model1_6zz6D.pdb.gz
4	6tnfA	0.47	6.86	0.064	0.673	model1_6tnfA.pdb.gz
5	7ay1B	0.47	7.05	0.056	0.677	model1_7ay1B.pdb.gz
6	3s4wB	0.47	7.23	0.069	0.685	model1_3s4wB.pdb.gz
7	6tnfB	0.46	7.15	0.062	0.679	model1_6tnfB.pdb.gz
8	4uvkA	0.46	6.50	0.062	0.625	model1_4uvkA.pdb.gz
9	5t8vA	0.45	6.46	0.047	0.616	model1_5t8vA.pdb.gz
10	6h8qA	0.44	6.71	0.054	0.614	model1_6h8qA.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:1901363	0.83	heterocyclic compound binding
GO:0097159	0.83	organic cyclic compound binding
GO:0003676	0.64	nucleic acid binding
GO:0022892	0.63	substrate-specific transporter activity
GO:0019899	0.53	enzyme binding
GO:0017016	0.51	Ras GTPase 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:0051649	1.00	establishment of localization in cell
GO:0051641	1.00	cellular localization
GO:0009987	0.98	cellular process
GO:0022414	0.97	reproductive process
GO:0022402	0.97	cell cycle process
GO:1903046	0.96	meiotic cell cycle process
GO:0006996	0.96	organelle organization
GO:0070192	0.95	chromosome organization involved in meiotic cell cycle
GO:0070197	0.93	meiotic attachment of telomere to nuclear envelope
GO:0045141	0.93	meiotic telomere clustering
GO:0007129	0.93	synapsis

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:0044428	1.00	nuclear part
GO:0044427	0.95	chromosomal part
GO:0098687	0.94	chromosomal region
GO:0044454	0.94	nuclear chromosome part
GO:0032991	0.94	macromolecular complex
GO:0070187	0.93	telosome
GO:0005637	0.93	nuclear inner membrane
GO:0000784	0.93	nuclear chromosome, telomeric region

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	2eabA	0.274	7.47	0.027	0.404	3.2.1.63	NA
2	0.060	1ofdA	0.301	7.62	0.032	0.451	1.4.7.1	NA
3	0.060	1hn0A	0.333	7.96	0.056	0.521	4.2.2.20	NA
4	0.060	2q1fA	0.316	7.01	0.031	0.448	4.2.2.21	NA
5	0.060	1ug9A	0.311	7.31	0.033	0.454	3.2.1.70	257

	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	3lwwC	0.396	5.16	0.044	0.491	0.21	III	complex1.pdb.gz	132,178,185
2	0.01	1pjnB	0.389	4.84	0.102	0.473	0.32	III	complex2.pdb.gz	25,30,127,128,185,224,227,228,231,279,282
3	0.01	2z5mA	0.369	5.21	0.052	0.459	0.16	III	complex3.pdb.gz	37,38,41,42
4	0.01	2ot8A	0.374	5.02	0.051	0.462	0.25	III	complex4.pdb.gz	38,46,80,81,84
5	0.01	1un0A	0.387	4.91	0.093	0.472	0.28	III	complex5.pdb.gz	35,38,42,45,77,81,94,96,131,143
6	0.01	3c2gA	0.407	4.95	0.072	0.501	0.11	III	complex6.pdb.gz	37,58,59,94
7	0.01	2c1t0	0.385	4.69	0.100	0.462	0.21	III	complex7.pdb.gz	34,38,71,80,83,84,87
8	0.01	2ot8B	0.382	5.03	0.050	0.466	0.17	III	complex8.pdb.gz	35,127,131,178,224,227,228,270
9	0.01	1q1sC	0.392	4.80	0.091	0.475	0.10	III	complex9.pdb.gz	41,42,85
10	0.01	2ie40	0.385	5.14	0.083	0.477	0.21	III	complex10.pdb.gz	20,21,41,62,65,142,144,147

	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, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.