D-I-TASSER Q03721

D-I-TASSER results for Q03721

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

Summary of the Protein

Uniprot ID: Q03721
Protein Name: Potassium voltage-gated channel subfamily C member 4
Gene Name: KCNC4

Input Sequence in FASTA format

>Q03721 (635 residues)
MISSVCVSSYRGRKSGNKPPSKTCLKEEMAKGEASEKIIINVGGTRHETYRSTLRTLPGT
RLAWLADPDGGGRPETDGGGVGSSGSSGGGGCEFFFDRHPGVFAYVLNYYRTGKLHCPAD
VCGPLFEEELTFWGIDETDVEPCCWMTYRQHRDAEEALDIFESPDGGGSGAGPSDEAGDD
ERELALQRLGPHEGGAGHGAGSGGCRGWQPRMWALFEDPYSSRAARVVAFASLFFILVSI
TTFCLETHEAFNIDRNVTEILRVGNITSVHFRREVETEPILTYIEGVCVLWFTLEFLVRI
VCCPDTLDFVKNLLNIIDFVAILPFYLEVGLSGLSSKAARDVLGFLRVVRFVRILRIFKL
TRHFVGLRVLGHTLRASTNEFLLLIIFLALGVLIFATMIYYAERIGARPSDPRGNDHTDF
KNIPIGFWWAVVTMTTLGYGDMYPKTWSGMLVGALCALAGVLTIAMPVPVIVNNFGMYYS
LAMAKQKLPKKRKKHVPRPAQLESPMYCKSEETSPRDSTCSDTSPPAREEGMIERKRADS
KQNGDANAVLSDEEGAGLTQPLASSPTPEERRALRRSTTRDRNKKAAACFLLSTGDYACA
DGSVRKGTFVLRDLPLQHSPEAACPPTAGTLFLPH

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	Q03721-D1	1-113	113		MISSVCVSSYRGRKSGNKPPSKTCLKEEMAKGEASEKIIINVGGTRHETYRSTLRTLPGTRLAWLADPDGGGRPETDGGGVGSSGSSGGGGCEFFFDRHPGVFAYVLNYYRTG
2	Q03721-D2	114-206,466-635	263		KLHCPADVCGPLFEEELTFWGIDETDVEPCCWMTYRQHRDAEEALDIFESPDGGGSGAGPSDEAGDDERELALQRLGPHEGGAGHGAGSGGCRMPVPVIVNNFGMYYSLAMAKQKLPKKRKKHVPRPAQLESPMYCKSEETSPRDSTCSDTSPPAREEGMIERKRADSKQNGDANAVLSDEEGAGLTQPLASSPTPEERRALRRSTTRDRNKKAAACFLLSTGDYACADGSVRKGTFVLRDLPLQHSPEAACPPTAGTLFLPH
3	Q03721-D3	207-363	157		GWQPRMWALFEDPYSSRAARVVAFASLFFILVSITTFCLETHEAFNIDRNVTEILRVGNITSVHFRREVETEPILTYIEGVCVLWFTLEFLVRIVCCPDTLDFVKNLLNIIDFVAILPFYLEVGLSGLSSKAARDVLGFLRVVRFVRILRIFKLTRH
4	Q03721-D4	364-465	102		FVGLRVLGHTLRASTNEFLLLIIFLALGVLIFATMIYYAERIGARPSDPRGNDHTDFKNIPIGFWWAVVTMTTLGYGDMYPKTWSGMLVGALCALAGVLTIA

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.666

(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	7phhA	0.60	1.96	0.846	0.624	model1_7phhA.pdb.gz
2	7e84A	0.52	3.86	0.310	0.597	model1_7e84A.pdb.gz
3	7w3yA	0.51	3.76	0.357	0.578	model1_7w3yA.pdb.gz
4	2r9rB	0.48	4.17	0.386	0.554	model1_2r9rB.pdb.gz
5	7dxbA	0.42	6.97	0.046	0.614	model1_7dxbA.pdb.gz
6	5z96A	0.40	6.98	0.070	0.572	model1_5z96A.pdb.gz
7	5zbgA	0.40	6.89	0.052	0.573	model1_5zbgA.pdb.gz
8	7mixA	0.40	5.21	0.094	0.491	model1_7mixA.pdb.gz
9	7sx3A	0.39	4.70	0.089	0.472	model1_7sx3A.pdb.gz
10	6drjA	0.39	6.55	0.053	0.546	model1_6drjA.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:0005261	1.00	cation channel activity
GO:0046873	0.99	metal ion transmembrane transporter activity
GO:0015077	0.99	monovalent inorganic cation transmembrane transporter activity
GO:0005244	0.99	voltage-gated ion channel activity
GO:0022843	0.98	voltage-gated cation channel activity
GO:0005249	0.97	voltage-gated potassium channel activity
GO:0005251	0.93	delayed rectifier potassium channel 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:0044699	0.88	single-organism process
GO:0009987	0.83	cellular process
GO:0006810	0.81	transport
GO:0006811	0.79	ion transport
GO:0044763	0.78	single-organism cellular process
GO:0030001	0.76	metal ion transport
GO:0065007	0.73	biological regulation
GO:0015672	0.71	monovalent inorganic cation transport
GO:0006813	0.70	potassium ion transport
GO:0050789	0.59	regulation of biological process
GO:0055085	0.53	transmembrane transport
GO:0065008	0.52	regulation of biological quality
GO:0034220	0.51	ion 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:0044425	0.97	membrane part
GO:0044464	0.90	cell part
GO:0016021	0.89	integral component of membrane
GO:0016020	0.63	membrane
GO:0005886	0.52	plasma membrane

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	2aryA	0.164	5.93	0.051	0.221	3.4.22.52	NA
2	0.060	1ffuB	0.278	7.72	0.026	0.436	1.2.99.2	NA
3	0.060	1br2A	0.239	7.96	0.051	0.387	3.6.1.32	NA
4	0.060	1b0pA	0.293	8.32	0.022	0.487	1.2.7.1	NA
5	0.060	2pdaA	0.293	8.31	0.027	0.487	1.2.7.1	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	0.01	3s90A	0.157	5.65	0.025	0.206	0.14	III	complex1.pdb.gz	102,105,106,109,112
2	0.01	1rkcA	0.169	5.01	0.039	0.208	0.12	III	complex2.pdb.gz	42,45,60,61,178
3	0.01	1u6hA	0.164	5.23	0.033	0.206	0.15	III	complex3.pdb.gz	102,105,106,109,111,112,113
4	0.01	2gwwA	0.170	4.96	0.049	0.209	0.11	III	complex4.pdb.gz	61,62,65,68
5	0.01	2ibfA	0.169	5.06	0.044	0.208	0.15	III	complex5.pdb.gz	58,62,114
6	0.01	3s90B	0.165	5.15	0.052	0.205	0.13	III	complex6.pdb.gz	37,39,41,44,45,106,109
7	0.01	3rf3A	0.165	5.50	0.032	0.211	0.13	III	complex7.pdb.gz	56,57,109,114
8	0.01	2gdcA	0.148	5.06	0.035	0.186	0.15	III	complex8.pdb.gz	44,102,106,109,110

	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.