D-I-TASSER Q96CH1

D-I-TASSER results for Q96CH1

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

Summary of the Protein

Uniprot ID: Q96CH1
Protein Name: Probable G-protein coupled receptor 146
Gene Name: GPR146

Input Sequence in FASTA format

>Q96CH1 (333 residues)
MWSCSWFNGTGLVEELPACQDLQLGLSLLSLLGLVVGVPVGLCYNALLVLANLHSKASMT
MPDVYFVNMAVAGLVLSALAPVHLLGPPSSRWALWSVGGEVHVALQIPFNVSSLVAMYST
ALLSLDHYIERALPRTYMASVYNTRHVCGFVWGGALLTSFSSLLFYICSHVSTRALECAK
MQNAEAADATLVFIGYVVPALATLYALVLLSRVRREDTPLDRDTGRLEPSAHRLLVATVC
TQFGLWTPHYLILLGHTVIISRGKPVDAHYLGLLHFVKDFSKLLAFSSSFVTPLLYRYMN
QSFPSKLQRLMKKLPCGDRHCSPDHMGVQQVLA

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	Q96CH1-D1	1-333	333		MWSCSWFNGTGLVEELPACQDLQLGLSLLSLLGLVVGVPVGLCYNALLVLANLHSKASMTMPDVYFVNMAVAGLVLSALAPVHLLGPPSSRWALWSVGGEVHVALQIPFNVSSLVAMYSTALLSLDHYIERALPRTYMASVYNTRHVCGFVWGGALLTSFSSLLFYICSHVSTRALECAKMQNAEAADATLVFIGYVVPALATLYALVLLSRVRREDTPLDRDTGRLEPSAHRLLVATVCTQFGLWTPHYLILLGHTVIISRGKPVDAHYLGLLHFVKDFSKLLAFSSSFVTPLLYRYMNQSFPSKLQRLMKKLPCGDRHCSPDHMGVQQVLA

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.8433

(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	4n6hA	0.85	2.00	0.155	0.898	model1_4n6hA.pdb.gz
2	2ks9A	0.83	2.99	0.153	0.928	model1_2ks9A.pdb.gz
3	1u19A	0.81	3.09	0.142	0.919	model1_1u19A.pdb.gz
4	7ddzA	0.80	1.78	0.174	0.844	model1_7ddzA.pdb.gz
5	6lw5A	0.79	3.06	0.190	0.901	model1_6lw5A.pdb.gz
6	6d26A1	0.79	2.94	0.163	0.889	model1_6d26A1.pdb.gz
7	4rnbA	0.79	1.84	0.154	0.838	model1_4rnbA.pdb.gz
8	2ziyA	0.79	3.20	0.109	0.898	model1_2ziyA.pdb.gz
9	5vblB	0.79	2.83	0.136	0.877	model1_5vblB.pdb.gz
10	5zbhA	0.79	2.41	0.152	0.868	model1_5zbhA.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:0004888	1.00	transmembrane signaling receptor activity
GO:0004930	0.89	G-protein coupled receptor activity
GO:0008528	0.61	G-protein coupled peptide receptor activity
GO:0004896	0.52	cytokine receptor activity
GO:0001637	0.52	G-protein coupled chemoattractant 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:0050794	0.97	regulation of cellular process
GO:0007165	0.96	signal transduction
GO:0007186	0.92	G-protein coupled receptor signaling pathway
GO:0009987	0.79	cellular process
GO:0050896	0.70	response to stimulus
GO:0044699	0.66	single-organism process
GO:0044763	0.58	single-organism cellular process
GO:0007166	0.56	cell surface receptor signaling pathway
GO:0065008	0.54	regulation of biological quality
GO:0048523	0.54	negative regulation of cellular process
GO:0032501	0.54	multicellular organismal process
GO:0048583	0.53	regulation of response to stimulus
GO:0032879	0.53	regulation of localization
GO:0003008	0.53	system process
GO:0065009	0.52	regulation of molecular function
GO:0032101	0.52	regulation of response to external stimulus
GO:0030334	0.52	regulation of cell migration
GO:0009605	0.52	response to external stimulus
GO:0051707	0.51	response to other organism
GO:0050920	0.51	regulation of chemotaxis
GO:0044764	0.51	multi-organism cellular process
GO:0044419	0.51	interspecies interaction between organisms
GO:0044092	0.51	negative regulation of molecular function
GO:0043900	0.51	regulation of multi-organism process
GO:0032102	0.51	negative regulation of response to external stimulus
GO:0031348	0.51	negative regulation of defense response
GO:0002697	0.51	regulation of immune effector process
GO:0002683	0.51	negative regulation of immune system process
GO:1900137	0.50	negative regulation of chemokine activity
GO:0050690	0.50	regulation of defense response to virus by virus
GO:0050687	0.50	negative regulation of defense response to virus
GO:0039518	0.50	suppression by virus of host cytokine activity
GO:0020012	0.50	evasion or tolerance of host immune response
GO:0019221	0.50	cytokine-mediated signaling pathway
GO:0019049	0.50	evasion or tolerance of host defenses by virus

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:0016021	1.00	integral component of membrane
GO:0016020	1.00	membrane
GO:0044464	0.99	cell part
GO:0005886	0.96	plasma membrane
GO:0044459	0.92	plasma membrane part
GO:0031226	0.91	intrinsic component of plasma membrane
GO:0005887	0.90	integral component of plasma membrane
GO:0044424	0.73	intracellular part
GO:0043226	0.59	organelle
GO:0097458	0.56	neuron part
GO:0042995	0.56	cell projection
GO:0044444	0.55	cytoplasmic part
GO:0043229	0.53	intracellular organelle
GO:0043227	0.53	membrane-bounded organelle

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	3czoB	0.435	6.43	0.049	0.736	4.3.1.3	290
2	0.060	1yfmA	0.429	6.34	0.041	0.697	4.2.1.2	NA
3	0.060	1h2aL	0.422	6.10	0.059	0.652	1.12.2.1	168
4	0.060	2occN	0.512	5.53	0.084	0.763	1.9.3.1	NA
5	0.060	2o6yA	0.422	6.74	0.062	0.742	4.3.1.-	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	0.05	3d4sA	0.750	2.56	0.154	0.820	0.91	CLR	complex1.pdb.gz	42,74,78,81,82
2	0.04	3oaxB	0.810	3.07	0.145	0.919	1.03	4E6	complex2.pdb.gz	29,33,36,40,291
3	0.04	3ny9A	0.749	2.58	0.158	0.820	1.14	CLR	complex3.pdb.gz	67,68,71,75,108,111,149,152
4	0.04	3oe8A	0.743	2.63	0.175	0.820	0.68	ITD	complex4.pdb.gz	83,86,95,105,109,177,178
5	0.01	2q9eB	0.209	4.88	0.029	0.285	0.64	MTN	complex5.pdb.gz	41,74,81
6	0.01	1c61A	0.203	4.74	0.075	0.276	0.66	KR	complex6.pdb.gz	68,69,72,120
7	0.01	1c6aA	0.204	4.77	0.043	0.276	0.69	KR	complex7.pdb.gz	41,42,80

	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.