D-I-TASSER Q86SQ3

D-I-TASSER results for Q86SQ3

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

Summary of the Protein

Uniprot ID: Q86SQ3
Protein Name: Putative adhesion G protein-coupled receptor E4P
Gene Name: ADGRE4P

Input Sequence in FASTA format

>Q86SQ3 (457 residues)
MGSRFLLVLLSGASCPPCPKYASCHNSTHCTCEDGFRARSGRTYFHDSSEKCEDINECET
GLAKCKYKAYCRNKVGGYICSCLVKYTLFNFLAGIIDYDHPDCYENNSQGTTQSNVDIWV
SGVKPGFGKQLPGDKRTKHICVYWEGSEGGWSTEGCSHVHSNGSYTKCKCFHLSSFAVLV
ALAPKEDPVLTVITQVGLTISLLCLFLAILTFLLCRPIQNTSTSLHLELSLCLFLAHLLF
LTGINRTEPEVLCSIIAGLLHFLYLACFTWMLLEGLHLFLTVRNLKVANYTSTGRFKKRF
MYPVGYGIPAVIIAVSAIVGPQNYGTFTCWLKLDKGFIWSFMGPVAVIILINLVFYFQVL
WILRSKLSSLNKEVSTIQDTRVMTFKAISQLFILGCSWGLGFFMVEEVGKTIGSIIAYSF
TIINTLQGVLLFVVHCLLNRQVRLIILSVISLVPKSN

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	Q86SQ3-D1	1-182	182		MGSRFLLVLLSGASCPPCPKYASCHNSTHCTCEDGFRARSGRTYFHDSSEKCEDINECETGLAKCKYKAYCRNKVGGYICSCLVKYTLFNFLAGIIDYDHPDCYENNSQGTTQSNVDIWVSGVKPGFGKQLPGDKRTKHICVYWEGSEGGWSTEGCSHVHSNGSYTKCKCFHLSSFAVLVAL
2	Q86SQ3-D2	183-457	275		APKEDPVLTVITQVGLTISLLCLFLAILTFLLCRPIQNTSTSLHLELSLCLFLAHLLFLTGINRTEPEVLCSIIAGLLHFLYLACFTWMLLEGLHLFLTVRNLKVANYTSTGRFKKRFMYPVGYGIPAVIIAVSAIVGPQNYGTFTCWLKLDKGFIWSFMGPVAVIILINLVFYFQVLWILRSKLSSLNKEVSTIQDTRVMTFKAISQLFILGCSWGLGFFMVEEVGKTIGSIIAYSFTIINTLQGVLLFVVHCLLNRQVRLIILSVISLVPKSN

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.54

(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	5uenA	0.53	2.60	0.120	0.573	model1_5uenA.pdb.gz
2	6a93A	0.53	2.33	0.159	0.567	model1_6a93A.pdb.gz
3	2ziyA	0.53	2.44	0.080	0.567	model1_2ziyA.pdb.gz
4	2ks9A	0.53	2.59	0.074	0.569	model1_2ks9A.pdb.gz
5	3pblA	0.53	2.54	0.111	0.565	model1_3pblA.pdb.gz
6	6me2A	0.52	2.64	0.107	0.569	model1_6me2A.pdb.gz
7	4ib4A	0.52	2.88	0.161	0.573	model1_4ib4A.pdb.gz
8	2rh1A	0.52	2.68	0.082	0.565	model1_2rh1A.pdb.gz
9	6me6A	0.52	2.88	0.078	0.573	model1_6me6A.pdb.gz
10	6li0A	0.52	2.97	0.084	0.571	model1_6li0A.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:0046872	0.97	metal ion binding
GO:0004872	0.72	receptor activity
GO:0038023	0.71	signaling receptor activity
GO:0004888	0.70	transmembrane signaling receptor activity
GO:0004930	0.64	G-protein coupled receptor 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:0065007	0.79	biological regulation
GO:0050789	0.77	regulation of biological process
GO:0050794	0.75	regulation of cellular process
GO:0007155	0.69	cell adhesion
GO:0009987	0.65	cellular process
GO:0007160	0.62	cell-matrix adhesion
GO:0007165	0.57	signal transduction
GO:0044699	0.55	single-organism 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:0044464	0.99	cell part
GO:0043231	0.97	intracellular membrane-bounded organelle
GO:0044444	0.67	cytoplasmic part
GO:0005768	0.63	endosome
GO:0055037	0.62	recycling endosome
GO:0044425	0.60	membrane part

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	1ug9A	0.330	7.71	0.053	0.565	3.2.1.70	NA
2	0.060	1mo7A	0.172	5.99	0.029	0.252	3.6.3.9	NA
3	0.060	2p0mB	0.296	7.51	0.038	0.494	1.13.11.33	228,233,238
4	0.060	3b8eA	0.335	7.41	0.031	0.567	3.6.3.9	NA
5	0.060	2uv8G	0.348	7.16	0.037	0.569	2.3.1.86	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:

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	3pblA	0.525	2.54	0.111	0.565	0.32	ETQ	complex1.pdb.gz	233,234,237,429,433
2	0.01	3pblA	0.525	2.54	0.111	0.565	0.19	MAL	complex2.pdb.gz	272,304,305
3	0.01	3aymB	0.529	2.43	0.082	0.567	0.35	RET	complex3.pdb.gz	229,233,267,271,272,352,391
4	0.01	2rh1A	0.520	2.68	0.082	0.565	0.26	CAU	complex4.pdb.gz	197,259,263,267
5	0.01	1c6mA	0.174	5.48	0.069	0.243	0.27	KR	complex5.pdb.gz	221,222,273
6	0.01	3aymA	0.527	2.33	0.082	0.565	0.17	RET	complex6.pdb.gz	226,229,230,233,278
7	0.01	2ksaA	0.527	2.59	0.074	0.569	0.29	III	complex7.pdb.gz	213,218,220,279
8	0.01	2rbnA	0.175	5.44	0.070	0.241	0.24	264	complex8.pdb.gz	198,201,205,231
9	0.01	3htbA	0.176	5.39	0.069	0.243	0.32	JZ4	complex9.pdb.gz	203,207,210,231
10	0.01	2z73B	0.528	2.30	0.082	0.565	0.21	RET	complex10.pdb.gz	226,275,278,279,388

	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.