D-I-TASSER Q6DHV7

D-I-TASSER results for Q6DHV7

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

Summary of the Protein

Uniprot ID: Q6DHV7
Protein Name: Adenosine deaminase-like protein
Gene Name: ADAL

Input Sequence in FASTA format

>Q6DHV7 (355 residues)
MIEAEEQQPCKTDFYSELPKVELHAHLNGSISSHTMKKLIAQKPDLKIHDQMTVIDKGKK
RTLEECFQMFQTIHQLTSSPEDILMVTKDVIKEFADDGVKYLELRSTPRRENATGMTKKT
YVESILEGIKQSKQENLDIDVRYLIAVDRRGGPLVAKETVKLAEEFFLSTEGTVLGLDLS
GDPTVGQAKDFLEPLLEAKKAGLKLALHLSEIPNQKKETQILLDLLPDRIGHGTFLNSGE
GGSLDLVDFVRQHRIPLELCLTSNVKSQTVPSYDQHHFGFWYSIAHPSVICTDDKGVFAT
HLSQEYQLAAETFNLTQSQVWDLSYESINYIFASDSTRSELRKKWNHLKPRVLHI

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	Q6DHV7-D1	1-355	355		MIEAEEQQPCKTDFYSELPKVELHAHLNGSISSHTMKKLIAQKPDLKIHDQMTVIDKGKKRTLEECFQMFQTIHQLTSSPEDILMVTKDVIKEFADDGVKYLELRSTPRRENATGMTKKTYVESILEGIKQSKQENLDIDVRYLIAVDRRGGPLVAKETVKLAEEFFLSTEGTVLGLDLSGDPTVGQAKDFLEPLLEAKKAGLKLALHLSEIPNQKKETQILLDLLPDRIGHGTFLNSGEGGSLDLVDFVRQHRIPLELCLTSNVKSQTVPSYDQHHFGFWYSIAHPSVICTDDKGVFATHLSQEYQLAAETFNLTQSQVWDLSYESINYIFASDSTRSELRKKWNHLKPRVLHI

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.8284

(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	4gxwA	0.91	1.95	0.188	0.966	model1_4gxwA.pdb.gz
2	3ewdA	0.90	2.01	0.190	0.958	model1_3ewdA.pdb.gz
3	3lggA	0.89	2.48	0.179	0.986	model1_3lggA.pdb.gz
4	2amxA	0.89	2.01	0.220	0.947	model1_2amxA.pdb.gz
5	3rysA	0.88	2.00	0.183	0.938	model1_3rysA.pdb.gz
6	3ou8A	0.82	1.82	0.186	0.865	model1_3ou8A.pdb.gz
7	2a3lA	0.78	3.48	0.156	0.915	model1_2a3lA.pdb.gz
8	2i9uA2	0.62	3.09	0.118	0.716	model1_2i9uA2.pdb.gz
9	2ypiA	0.44	4.39	0.072	0.566	model1_2ypiA.pdb.gz
10	4b56A2	0.29	6.83	0.054	0.490	model1_4b56A2.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:0019239	0.99	deaminase activity
GO:0016814	0.98	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines
GO:0004000	0.96	adenosine deaminase activity
GO:1901363	0.90	heterocyclic compound binding
GO:0097159	0.90	organic cyclic compound 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:0006139	1.00	nucleobase-containing compound metabolic process
GO:0072521	0.99	purine-containing compound metabolic process
GO:0072523	0.98	purine-containing compound catabolic process
GO:0055086	0.98	nucleobase-containing small molecule metabolic process
GO:0044712	0.98	single-organism catabolic process
GO:0034654	0.98	nucleobase-containing compound biosynthetic process
GO:1901135	0.97	carbohydrate derivative metabolic process
GO:1901137	0.96	carbohydrate derivative biosynthetic process
GO:0044711	0.96	single-organism biosynthetic process
GO:0043101	0.96	purine-containing compound salvage
GO:0006154	0.96	adenosine catabolic process
GO:0006144	0.96	purine nucleobase metabolic process
GO:0046103	0.95	inosine biosynthetic process
GO:0043103	0.95	hypoxanthine salvage

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:0044424	1.00	intracellular part
GO:0044444	0.98	cytoplasmic part
GO:0005829	0.97	cytosol
GO:0043229	0.62	intracellular 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	0.195	1a4lA	0.866	1.98	0.220	0.924	3.5.4.4	208
2	0.186	3iarA	0.864	2.03	0.223	0.924	3.5.4.4	NA
3	0.152	3lggA	0.891	2.48	0.179	0.986	3.5.4.4	208,210,231
4	0.067	1zzmA	0.550	3.57	0.105	0.670	3.1.21.-	292
5	0.067	1v77A	0.462	3.42	0.072	0.546	3.1.26.5	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	0.65	3iarA	0.864	2.03	0.223	0.924	1.20	3D1	complex1.pdb.gz	26,28,67,70,110,148,180,181,208,211,232,293,294
2	0.62	1o5rA	0.861	2.08	0.229	0.924	1.17	FR9	complex2.pdb.gz	26,28,66,67,70,106,148,181,182,267,294
3	0.41	2z7gA	0.863	2.03	0.229	0.924	1.00	EH9	complex3.pdb.gz	26,28,294
4	0.21	3mdwC	0.717	3.48	0.123	0.851	0.80	NFQ	complex4.pdb.gz	26,29,62,66,107,180,183,211,293
5	0.20	3lsbA	0.727	3.49	0.095	0.851	0.91	RYN	complex5.pdb.gz	26,28,29,62,65,66,180,208,211,232,263,270

	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.