D-I-TASSER Q96GK7

D-I-TASSER results for Q96GK7

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

Summary of the Protein

Uniprot ID: Q96GK7
Protein Name: Fumarylacetoacetate hydrolase domain-containing protein 2A
Gene Name: FAHD2A

Input Sequence in FASTA format

>Q96GK7 (314 residues)
MLVSGRRRLLTVLLQAQKWPFQPSRDMRLVQFRAPHLVGPHLGLETGNGGGVINLNAFDP
TLPKTMTQFLEQGEATLSVARRALAAQLPVLPRSEVTFLAPVTRPDKVVCVGMNYVDHCK
EQNVPVPKEPIIFSKFASSIVGPYDEVVLPPQSQEVDWEVELAVVIGKKGKHIKATDAMA
HVAGFTVAHDVSARDWQMRRNGKQWLLGKTFDTFCPLGPALVTKDSVADPHNLKICCRVN
GEVVQSGNTNQMVFKTEDLIAWVSQFVTFYPGDVILTGTPPGVGVFRKPPVFLKKGDEVQ
CEIEELGVIINKVV

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	Q96GK7-D1	1-99	99		MLVSGRRRLLTVLLQAQKWPFQPSRDMRLVQFRAPHLVGPHLGLETGNGGGVINLNAFDPTLPKTMTQFLEQGEATLSVARRALAAQLPVLPRSEVTFL
2	Q96GK7-D2	100-314	215		APVTRPDKVVCVGMNYVDHCKEQNVPVPKEPIIFSKFASSIVGPYDEVVLPPQSQEVDWEVELAVVIGKKGKHIKATDAMAHVAGFTVAHDVSARDWQMRRNGKQWLLGKTFDTFCPLGPALVTKDSVADPHNLKICCRVNGEVVQSGNTNQMVFKTEDLIAWVSQFVTFYPGDVILTGTPPGVGVFRKPPVFLKKGDEVQCEIEELGVIINKVV

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.86

(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	4qkuA	0.82	2.82	0.191	0.936	model1_4qkuA.pdb.gz
2	6j57A	0.81	1.88	0.342	0.866	model1_6j57A.pdb.gz
3	6iymA	0.81	2.09	0.366	0.866	model1_6iymA.pdb.gz
4	6v77A	0.80	1.78	0.398	0.857	model1_6v77A.pdb.gz
5	1qcnB	0.79	2.84	0.192	0.904	model1_1qcnB.pdb.gz
6	3r6oA	0.77	2.04	0.345	0.831	model1_3r6oA.pdb.gz
7	3lzkA	0.76	2.84	0.204	0.876	model1_3lzkA.pdb.gz
8	3qdfA	0.74	1.59	0.387	0.774	model1_3qdfA.pdb.gz
9	3bqbX	0.73	2.56	0.257	0.819	model1_3bqbX.pdb.gz
10	2dfuA	0.71	1.60	0.374	0.748	model1_2dfuA.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:0003824	0.93	catalytic activity
GO:0016787	0.85	hydrolase activity
GO:0043167	0.84	ion binding
GO:0046872	0.83	metal ion binding
GO:0016823	0.67	hydrolase activity, acting on acid carbon-carbon bonds, in ketonic substances
GO:0016829	0.63	lyase activity
GO:0034545	0.58	fumarylpyruvate hydrolase activity
GO:0018773	0.58	acetylpyruvate hydrolase 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:0008152	0.96	metabolic process
GO:0044699	0.88	single-organism process
GO:0044710	0.65	single-organism metabolic process
GO:0009987	0.65	cellular process
GO:0071704	0.61	organic substance metabolic process
GO:0044281	0.59	small molecule metabolic process

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:0044444	1.00	cytoplasmic part
GO:0043226	0.91	organelle
GO:0043227	0.90	membrane-bounded organelle
GO:0043229	0.89	intracellular organelle
GO:0043231	0.88	intracellular membrane-bounded organelle
GO:0005739	0.86	mitochondrion
GO:0005829	0.65	cytosol
GO:0044422	0.51	organelle part
GO:0044446	0.50	intracellular organelle part

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	0.115	1hyoB	0.821	2.72	0.197	0.927	3.7.1.2	194,197,209
2	0.067	2wqtT	0.549	3.02	0.140	0.624	4.2.1.80	133,165
3	0.060	1kb0A	0.371	6.56	0.044	0.643	1.1.99.-	NA
4	0.060	1ahpA	0.369	6.63	0.033	0.618	2.4.1.1	NA
5	0.060	2azdB	0.364	6.61	0.033	0.608	2.4.1.1	282,284

	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	0.39	1nr9B	0.610	1.99	0.362	0.653	1.41	MG	complex1.pdb.gz	111,112,159,161,190
2	0.36	3l53A	0.625	2.29	0.333	0.681	1.25	TAR	complex2.pdb.gz	111,112,113,118,133,159,161,190,194,197,205,209,279
3	0.30	2q1cX	0.733	2.59	0.252	0.822	1.00	2KT	complex3.pdb.gz	112,113,159,209,278,279
4	0.13	2eb5C	0.548	2.76	0.137	0.618	0.93	OXL	complex4.pdb.gz	110,112,113,159,161,190,279
5	0.07	2dfu0	0.711	1.60	0.374	0.748	1.13	III	complex5.pdb.gz	106,107,129,131,132,133,134,137,138,152,172,173,205,206,207,210,211,212,261,262,265,266,267,268

	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.