D-I-TASSER P11230

D-I-TASSER results for P11230

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

Summary of the Protein

Uniprot ID: P11230
Protein Name: Acetylcholine receptor subunit beta
Gene Name: CHRNB1

Input Sequence in FASTA format

>P11230 (501 residues)
MTPGALLMLLGALGAPLAPGVRGSEAEGRLREKLFSGYDSSVRPAREVGDRVRVSVGLIL
AQLISLNEKDEEMSTKVYLDLEWTDYRLSWDPAEHDGIDSLRITAESVWLPDVVLLNNND
GNFDVALDISVVVSSDGSVRWQPPGIYRSSCSIQVTYFPFDWQNCTMVFSSYSYDSSEVS
LQTGLGPDGQGHQEIHIHEGTFIENGQWEIIHKPSRLIQPPGDPRGGREGQRQEVIFYLI
IRRKPLFYLVNVIAPCILITLLAIFVFYLPPDAGEKMGLSIFALLTLTVFLLLLADKVPE
TSLSVPIIIKYLMFTMVLVTFSVILSVVVLNLHHRSPHTHQMPLWVRQIFIHKLPLYLRL
KRPKPERDLMPEPPHCSSPGSGWGRGTDEYFIRKPPSDFLFPKPNRFQPELSAPDLRRFI
DGPNRAVALLPELREVVSSISYIARQLQEQEDHDALKEDWQFVAMVVDRLFLWTFIIFTS
VGTLVIFLDATYHLPPPDPFP

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	P11230-D1	1-501	501		MTPGALLMLLGALGAPLAPGVRGSEAEGRLREKLFSGYDSSVRPAREVGDRVRVSVGLILAQLISLNEKDEEMSTKVYLDLEWTDYRLSWDPAEHDGIDSLRITAESVWLPDVVLLNNNDGNFDVALDISVVVSSDGSVRWQPPGIYRSSCSIQVTYFPFDWQNCTMVFSSYSYDSSEVSLQTGLGPDGQGHQEIHIHEGTFIENGQWEIIHKPSRLIQPPGDPRGGREGQRQEVIFYLIIRRKPLFYLVNVIAPCILITLLAIFVFYLPPDAGEKMGLSIFALLTLTVFLLLLADKVPETSLSVPIIIKYLMFTMVLVTFSVILSVVVLNLHHRSPHTHQMPLWVRQIFIHKLPLYLRLKRPKPERDLMPEPPHCSSPGSGWGRGTDEYFIRKPPSDFLFPKPNRFQPELSAPDLRRFIDGPNRAVALLPELREVVSSISYIARQLQEQEDHDALKEDWQFVAMVVDRLFLWTFIIFTSVGTLVIFLDATYHLPPPDPFP

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.714

(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	6pv7A	0.75	1.63	0.419	0.772	model1_6pv7A.pdb.gz
2	7kooA	0.73	2.25	0.344	0.782	model1_7kooA.pdb.gz
3	5kxiA	0.69	1.81	0.444	0.725	model1_5kxiA.pdb.gz
4	4pirA	0.69	2.79	0.256	0.764	model1_4pirA.pdb.gz
5	5kxiB	0.68	1.72	0.483	0.711	model1_5kxiB.pdb.gz
6	2bg9E	0.64	3.29	0.341	0.727	model1_2bg9E.pdb.gz
7	2bg9A	0.64	3.32	0.255	0.729	model1_2bg9A.pdb.gz
8	2bg9B	0.63	3.34	0.395	0.721	model1_2bg9B.pdb.gz
9	2bg9C	0.63	3.39	0.315	0.721	model1_2bg9C.pdb.gz
10	6plpA	0.62	2.57	0.190	0.671	model1_6plpA.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:0004872	0.98	receptor activity
GO:0099600	0.97	transmembrane receptor activity
GO:0015267	0.89	channel activity
GO:0005216	0.88	ion channel activity
GO:0004888	0.88	transmembrane signaling receptor activity
GO:0022836	0.86	gated channel activity
GO:0005230	0.85	extracellular ligand-gated ion channel activity
GO:0005231	0.84	excitatory extracellular ligand-gated ion channel activity
GO:0005261	0.79	cation channel activity
GO:0043167	0.77	ion binding
GO:0004889	0.77	acetylcholine-activated cation-selective channel activity
GO:0030594	0.74	neurotransmitter receptor activity
GO:0043169	0.73	cation binding
GO:0015464	0.73	acetylcholine receptor activity
GO:0042166	0.70	acetylcholine 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:0044699	0.98	single-organism process
GO:0009987	0.98	cellular process
GO:0044763	0.97	single-organism cellular process
GO:0007268	0.95	chemical synaptic transmission
GO:0007271	0.87	synaptic transmission, cholinergic
GO:0050896	0.64	response to stimulus
GO:0042221	0.62	response to chemical
GO:0006810	0.61	transport
GO:0010033	0.60	response to organic substance
GO:0010243	0.59	response to organonitrogen compound
GO:0006811	0.57	ion transport
GO:0065007	0.55	biological regulation
GO:0014070	0.52	response to organic cyclic compound
GO:0035094	0.51	response to nicotine
GO:0007274	0.51	neuromuscular synaptic transmission
GO:0006812	0.51	cation transport
GO:0055085	0.50	transmembrane transport

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	0.95	cell part
GO:0043234	0.93	protein complex
GO:0043235	0.92	receptor complex
GO:0044425	0.84	membrane part
GO:0044459	0.83	plasma membrane part
GO:0098797	0.79	plasma membrane protein complex
GO:0034702	0.78	ion channel complex
GO:0005892	0.77	acetylcholine-gated channel complex

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	2vumA	0.288	7.47	0.044	0.469	2.7.7.6	NA
2	0.060	3b8eA	0.294	8.16	0.035	0.523	3.6.3.9	NA
3	0.060	1bglA	0.264	7.79	0.045	0.455	3.2.1.23	NA
4	0.060	3hmjA	0.291	7.14	0.038	0.463	2.3.1.86	NA
5	0.060	1mhsA	0.300	7.44	0.077	0.493	3.6.3.6	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	3riaD	0.611	2.74	0.192	0.667	0.26	IVM	complex1.pdb.gz	32,35,88,89,98
2	0.04	2byrF	0.389	2.32	0.207	0.413	0.35	MLK	complex2.pdb.gz	35,36,98,133
3	0.04	2br7A	0.385	2.25	0.210	0.409	0.28	EPE	complex3.pdb.gz	30,134,136,137
4	0.04	2byqC	0.390	2.43	0.201	0.417	0.23	EPJ	complex4.pdb.gz	31,134,136
5	0.04	2pgzA	0.387	2.41	0.204	0.413	0.21	COC	complex5.pdb.gz	31,133,135
6	0.04	2xz5E	0.389	2.25	0.203	0.413	0.18	ACH	complex6.pdb.gz	31,92,134,137
7	0.03	3sh1E	0.390	2.43	0.186	0.417	0.24	MLK	complex7.pdb.gz	33,95,133
8	0.03	3rifE	0.613	2.71	0.192	0.667	0.31	IVM	complex8.pdb.gz	34,38,89,98
9	0.02	2c9tA	0.382	2.40	0.210	0.409	0.26	III	complex9.pdb.gz	35,92,136
10	0.02	2uz6A	0.383	2.37	0.210	0.409	0.25	III	complex10.pdb.gz	29,97,98,134

	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.