D-I-TASSER Q6DN14

D-I-TASSER results for Q6DN14

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

Summary of the Protein

Uniprot ID: Q6DN14
Protein Name: Multiple C2 and transmembrane domain-containing protein 1
Gene Name: MCTP1

Input Sequence in FASTA format

>Q6DN14 (999 residues)
MEPRAAAAGEPEPPAASSSFQARLWKNLQLGVGRSKGGGGGRAGGPERRTADTPSPSPPP
PVGTGNAPARGSGAGSRWSGFKKRKQVLDRVFSSSQPNLCCSSPEPLEPGGAGRAEQGST
LRRRIREHLLPAVKGPAAASGAAGGTPPGGRSPDSAPSSSSASSSLSSSPQPPPRGDRAR
DEGARRQGPGAHLCHQKSSSLPGTACLEQLLEPPPPPAEPARSPAESRAPETGEEHGSSQ
KIINTAGTSNAEVPLADPGMYQLDITLRRGQSLAARDRGGTSDPYVKFKIGGKEVFRSKI
IHKNLNPVWEEKACILVDHLREPLYIKVFDYDFGLQDDFMGSAFLDLTQLELNRPTDVTL
TLKDPHYPDHDLGIILLSVILTPKEGESRDVTMLMRKSWKRSSKELSENEVVGSYFSVKS
LFWRTCGRPALPVLGFCRAELQNPYCKNVQFQTQSLRLSDLHRKSHLWRGIVSITLIEGR
DLKAMDSNGLSDPYVKFRLGHQKYKSKIMPKTLNPQWREQFDFHLYEERGGVIDITAWDK
DAGKRDDFIGRCQVDLSALSREQTHKLELQLEEGEGHLVLLVTLTASATVSISDLSVNSL
EDQKEREEILKRYSPLRIFHNLKDVGFLQVKVIRAEGLMAADVTGKSDPFCVVELNNDRL
LTHTVYKNLNPEWNKVFTFNIKDIHSVLEVTVYDEDRDRSADFLGKVAIPLLSIQNGEQK
AYVLKNKQLTGPTKGVIYLEIDVIFNAVKASLRTLIPKEQKYIEEENRLSKQLLLRNFIR
MKRCVMVLVNAAYYVNSCFDWDSPPRSLAAFVLFLFVVWNFELYMIPLVLLLLLTWNYFL
IISGKDNRQRDTVVEDMLEDEEEEDDKDDKDSEKKGFINKIYAIQEVCVSVQNILDEVAS
FGERIKNTFNWTVPFLSWLAIVALCVFTAILYCIPLRYIVLVWGINKFTKKLRSPYAIDN
NELLDFLSRVPSDVQVVQYQELKPDPSHSPYKRKKNNLG

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	Q6DN14-D1	1-999	999		MEPRAAAAGEPEPPAASSSFQARLWKNLQLGVGRSKGGGGGRAGGPERRTADTPSPSPPPPVGTGNAPARGSGAGSRWSGFKKRKQVLDRVFSSSQPNLCCSSPEPLEPGGAGRAEQGSTLRRRIREHLLPAVKGPAAASGAAGGTPPGGRSPDSAPSSSSASSSLSSSPQPPPRGDRARDEGARRQGPGAHLCHQKSSSLPGTACLEQLLEPPPPPAEPARSPAESRAPETGEEHGSSQKIINTAGTSNAEVPLADPGMYQLDITLRRGQSLAARDRGGTSDPYVKFKIGGKEVFRSKIIHKNLNPVWEEKACILVDHLREPLYIKVFDYDFGLQDDFMGSAFLDLTQLELNRPTDVTLTLKDPHYPDHDLGIILLSVILTPKEGESRDVTMLMRKSWKRSSKELSENEVVGSYFSVKSLFWRTCGRPALPVLGFCRAELQNPYCKNVQFQTQSLRLSDLHRKSHLWRGIVSITLIEGRDLKAMDSNGLSDPYVKFRLGHQKYKSKIMPKTLNPQWREQFDFHLYEERGGVIDITAWDKDAGKRDDFIGRCQVDLSALSREQTHKLELQLEEGEGHLVLLVTLTASATVSISDLSVNSLEDQKEREEILKRYSPLRIFHNLKDVGFLQVKVIRAEGLMAADVTGKSDPFCVVELNNDRLLTHTVYKNLNPEWNKVFTFNIKDIHSVLEVTVYDEDRDRSADFLGKVAIPLLSIQNGEQKAYVLKNKQLTGPTKGVIYLEIDVIFNAVKASLRTLIPKEQKYIEEENRLSKQLLLRNFIRMKRCVMVLVNAAYYVNSCFDWDSPPRSLAAFVLFLFVVWNFELYMIPLVLLLLLTWNYFLIISGKDNRQRDTVVEDMLEDEEEEDDKDDKDSEKKGFINKIYAIQEVCVSVQNILDEVASFGERIKNTFNWTVPFLSWLAIVALCVFTAILYCIPLRYIVLVWGINKFTKKLRSPYAIDNNELLDFLSRVPSDVQVVQYQELKPDPSHSPYKRKKNNLG

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.64

(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	2vdcA	0.28	9.54	0.041	0.453	model1_2vdcA.pdb.gz
2	1llwA	0.28	9.14	0.020	0.433	model1_1llwA.pdb.gz
3	1ej6A	0.27	8.41	0.055	0.412	model1_1ej6A.pdb.gz
4	5zvs2	0.27	9.35	0.034	0.443	model1_5zvs2.pdb.gz
5	2cse1	0.27	8.42	0.048	0.407	model1_2cse1.pdb.gz
6	6uebA	0.27	9.65	0.035	0.460	model1_6uebA.pdb.gz
7	6v85A	0.27	8.76	0.035	0.412	model1_6v85A.pdb.gz
8	2x2hA	0.27	9.21	0.036	0.435	model1_2x2hA.pdb.gz
9	3k1qA	0.27	8.20	0.041	0.389	model1_3k1qA.pdb.gz
10	3ir7A	0.27	9.11	0.037	0.422	model1_3ir7A.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:0043167	0.85	ion binding
GO:0046872	0.84	metal ion binding
GO:0005509	0.83	calcium ion binding
GO:0008289	0.78	lipid binding
GO:0005543	0.77	phospholipid binding
GO:0005544	0.75	calcium-dependent phospholipid 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:0065007	0.94	biological regulation
GO:0050789	0.91	regulation of biological process
GO:0009987	0.91	cellular process
GO:0050794	0.88	regulation of cellular process
GO:0044699	0.82	single-organism process
GO:0044763	0.79	single-organism cellular process
GO:0051179	0.74	localization
GO:0006810	0.73	transport
GO:0044765	0.70	single-organism transport
GO:0032940	0.68	secretion by cell
GO:0016192	0.67	vesicle-mediated transport
GO:0016043	0.67	cellular component organization
GO:0051649	0.66	establishment of localization in cell
GO:0045055	0.66	regulated exocytosis
GO:0099643	0.65	signal release from synapse
GO:0099531	0.65	presynaptic process involved in chemical synaptic transmission
GO:0032879	0.65	regulation of localization
GO:1902580	0.64	single-organism cellular localization
GO:0099003	0.64	vesicle mediated transport in synapse
GO:0051049	0.64	regulation of transport
GO:0016079	0.63	synaptic vesicle exocytosis
GO:1903530	0.62	regulation of secretion by cell
GO:0060627	0.62	regulation of vesicle-mediated transport
GO:0017157	0.61	regulation of exocytosis
GO:0006996	0.61	organelle organization
GO:1902589	0.60	single-organism organelle organization
GO:0017158	0.60	regulation of calcium ion-dependent exocytosis
GO:0048791	0.59	calcium ion-regulated exocytosis of neurotransmitter
GO:0044802	0.59	single-organism membrane organization
GO:0006906	0.58	vesicle fusion

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:0044424	0.81	intracellular part
GO:0016020	0.72	membrane
GO:0044444	0.68	cytoplasmic part
GO:0043226	0.60	organelle
GO:0005886	0.59	plasma membrane
GO:0043227	0.58	membrane-bounded organelle
GO:0043229	0.57	intracellular organelle
GO:0043231	0.56	intracellular 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	2e1qA	0.235	9.02	0.037	0.368	1.17.3.2 1.17.1.4	NA
2	0.060	1mswD	0.194	8.65	0.029	0.297	2.7.7.6	NA
3	0.060	1aroP	0.201	8.52	0.026	0.302	2.7.7.6	NA
4	0.060	1llwA	0.275	9.14	0.020	0.433	1.4.7.1	NA
5	0.060	1br2A	0.211	8.58	0.050	0.321	3.6.1.32	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	1llzA	0.279	9.46	0.039	0.454	0.14	FMN	complex1.pdb.gz	264,266,291
2	0.01	3ir5A	0.262	9.18	0.029	0.419	0.34	SF4	complex2.pdb.gz	146,148,150,152,153,159
3	0.01	1n35A	0.271	8.76	0.049	0.416	0.18	CH1	complex3.pdb.gz	267,268,270,342
4	0.01	1ea0B	0.272	8.89	0.028	0.422	0.10	AKG	complex4.pdb.gz	289,342,343
5	0.01	1n1hA	0.271	8.82	0.049	0.417	0.16	QNA	complex5.pdb.gz	266,268,343
6	0.01	1ea0B	0.272	8.89	0.028	0.422	0.11	FMN	complex6.pdb.gz	340,341,342,343

	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.