D-I-TASSER Q8N584

D-I-TASSER results for Q8N584

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

Summary of the Protein

Uniprot ID: Q8N584
Protein Name: Tetratricopeptide repeat protein 39C
Gene Name: TTC39C

Input Sequence in FASTA format

>Q8N584 (583 residues)
MAGSEQQRPRRRDDGDSDAAAAAAAPLQDAELALAGINMLLNNGFRESDQLFKQYRNHSP
LMSFGASFVSFLNAMMTFEEEKMQLACDDLKTTEKLCESEEAGVIETIKNKIKKNVDVRK
SAPSMVDRLQRQIIIADCQVYLAVLSFVKQELSAYIKGGWILRKAWKIYNKCYLDINALQ
ELYQKKLTEESLTSDAANDNHIVAEGVSEESLNRLKGAVSFGYGLFHLCISMVPPNLLKI
INLLGFPGDRLQGLSSLMYASESKDMKAPLATLALLWYHTVVRPFFALDGSDNKAGLDEA
KEILLKKEAAYPNSSLFMFFKGRIQRLECQINSALTSFHTALELAVDQREIQHVCLYEIG
WCSMIELNFKDAFDSFERLKNESRWSQCYYAYLTAVCQGATGDVDGAQIVFKEVQKLFKR
KNNQIEQFSVKKAERFRKQTPTKALCVLASIEVLYLWKALPNCSFPNLQRMSQACHEVDD
SSVVGLKYLLLGAIHKCLGNSEDAVQYFQRAVKDELCRQNNLYVQPYACYELGCLLLDKP
ETVGRGRALLLQAKEDFSGYDFENRLHVRIHAALASLRELVPQ

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	Q8N584-D1	1-121	121		MAGSEQQRPRRRDDGDSDAAAAAAAPLQDAELALAGINMLLNNGFRESDQLFKQYRNHSPLMSFGASFVSFLNAMMTFEEEKMQLACDDLKTTEKLCESEEAGVIETIKNKIKKNVDVRKS
2	Q8N584-D2	122-248	127		APSMVDRLQRQIIIADCQVYLAVLSFVKQELSAYIKGGWILRKAWKIYNKCYLDINALQELYQKKLTEESLTSDAANDNHIVAEGVSEESLNRLKGAVSFGYGLFHLCISMVPPNLLKIINLLGFPG
3	Q8N584-D3	249-320	72		DRLQGLSSLMYASESKDMKAPLATLALLWYHTVVRPFFALDGSDNKAGLDEAKEILLKKEAAYPNSSLFMFF
4	Q8N584-D4	321-383	63		KGRIQRLECQINSALTSFHTALELAVDQREIQHVCLYEIGWCSMIELNFKDAFDSFERLKNES
5	Q8N584-D5	384-463	80		RWSQCYYAYLTAVCQGATGDVDGAQIVFKEVQKLFKRKNNQIEQFSVKKAERFRKQTPTKALCVLASIEVLYLWKALPNC
6	Q8N584-D6	464-583	120		SFPNLQRMSQACHEVDDSSVVGLKYLLLGAIHKCLGNSEDAVQYFQRAVKDELCRQNNLYVQPYACYELGCLLLDKPETVGRGRALLLQAKEDFSGYDFENRLHVRIHAALASLRELVPQ

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.82

(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	5mz61	0.54	6.81	0.078	0.787	model1_5mz61.pdb.gz
2	4n5cA	0.48	6.46	0.076	0.683	model1_4n5cA.pdb.gz
3	4bujB	0.47	5.73	0.063	0.628	model1_4bujB.pdb.gz
4	4ui9O	0.47	6.17	0.075	0.647	model1_4ui9O.pdb.gz
5	6af0A	0.47	5.57	0.064	0.618	model1_6af0A.pdb.gz
6	4uzyA	0.46	6.06	0.073	0.631	model1_4uzyA.pdb.gz
7	5u1sA	0.45	6.12	0.053	0.629	model1_5u1sA.pdb.gz
8	4gyoA	0.45	5.11	0.100	0.571	model1_4gyoA.pdb.gz
9	5c6gA	0.45	6.70	0.077	0.657	model1_5c6gA.pdb.gz
10	3sf4A	0.42	4.26	0.077	0.503	model1_3sf4A.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	0.54	catalytic 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	0.98	cellular process
GO:0044699	0.86	single-organism process
GO:0044763	0.82	single-organism cellular process
GO:0016043	0.80	cellular component organization
GO:0044767	0.78	single-organism developmental process
GO:0022607	0.75	cellular component assembly
GO:0030030	0.73	cell projection organization
GO:0009653	0.73	anatomical structure morphogenesis
GO:0006996	0.73	organelle organization
GO:0044707	0.69	single-multicellular organism process
GO:0042384	0.69	cilium assembly
GO:0048598	0.68	embryonic morphogenesis
GO:0007368	0.68	determination of left/right symmetry
GO:0061371	0.66	determination of heart left/right asymmetry
GO:0032474	0.66	otolith morphogenesis
GO:0071704	0.58	organic substance metabolic process
GO:0044238	0.53	primary metabolic process
GO:0044237	0.51	cellular metabolic 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:0043226	0.96	organelle
GO:0044444	0.91	cytoplasmic part
GO:0043229	0.90	intracellular organelle
GO:0043227	0.87	membrane-bounded organelle
GO:0043231	0.86	intracellular membrane-bounded organelle
GO:0044446	0.85	intracellular organelle part
GO:0005829	0.76	cytosol
GO:0016020	0.74	membrane
GO:0032991	0.71	macromolecular complex
GO:0043234	0.69	protein complex
GO:0005634	0.63	nucleus
GO:0044428	0.54	nuclear part
GO:0005737	0.51	cytoplasm

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	1llwA	0.374	8.13	0.035	0.624	1.4.7.1	NA
2	0.060	1hxgA	0.358	6.84	0.044	0.525	4.2.3.9 4.1.99.7	NA
3	0.060	2gtqA	0.398	6.90	0.075	0.595	3.4.11.2	NA
4	0.060	3iayA	0.360	7.23	0.051	0.557	2.7.7.7	NA
5	0.060	2tmdA	0.352	8.01	0.044	0.588	1.5.8.2	222,224,272,274

	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	2bptA	0.373	7.33	0.053	0.573	0.41	III	complex1.pdb.gz	224,251,278
2	0.01	3c67B	0.379	7.35	0.042	0.587	0.81	GLC	complex2.pdb.gz	224,249,252,253,256
3	0.01	3hymH	0.375	3.53	0.104	0.429	0.52	III	complex3.pdb.gz	217,221,224,315,316,323,326,327,352,354,355,361,364,365,369,392,393,400
4	0.01	2bptA	0.373	7.33	0.053	0.573	0.41	III	complex4.pdb.gz	226,277,315,317
5	0.01	2l1lB	0.156	4.50	0.049	0.190	0.40	III	complex5.pdb.gz	218,249,252,253,256,259,262,263,264,267
6	0.01	2xpiA	0.434	5.35	0.070	0.559	0.47	III	complex6.pdb.gz	68,221,225,228,257,277,278,314,316,326,358,361,364,393,396,399,400

	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.