D-I-TASSER A0A5F9ZGZ6

D-I-TASSER results for A0A5F9ZGZ6

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

Summary of the Protein

Uniprot ID: A0A5F9ZGZ6
Protein Name: ARHGEF5_35 domain-containing protein
Gene Name: NA

Input Sequence in FASTA format

>A0A5F9ZGZ6 (478 residues)
MEAEEAQRGASPPISAIEEFSIIPEAPMRSSQVSALGLEAQEDEDPSYKWREEHRLSATQ
QSELRDVCDYAIETMPSFPKEGSADVEPNQESLVAEACDTPEHWEAVPQSLAGRQARTLA
PPELWACPIQSEHLDMAPFSSDLGSEEEEVEFWPGLTSLTLGSGQAEEEEETSSDNSGQT
RYYSPCEEHPAETNQNEGSESGTIRQGEELPPEELQESQGLLHPQEVQVLEEQGQQEAGF
RGEGTLREDVCADGLLGEEQMIEQVNDEKGEQKQKQEQVQDVMLGRQGERMGLTGEPEGL
NDGEWEQEDMERKAQGQGGPEQGEERKRELQVPEENRADSQDEKSQTFLGKSEEVTGKQE
DHGIKEKGVPVIGQEAKEPESWDGGRLGAVGRARSREEENEHHGPSMPALIAPEDSPHCD
LFPGASYLVTQIPGTQTESRAEELSPAALSPSLEPIRCSHQPISLLGSFLTEESPDKE

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	A0A5F9ZGZ6-D1	1-478	478		MEAEEAQRGASPPISAIEEFSIIPEAPMRSSQVSALGLEAQEDEDPSYKWREEHRLSATQQSELRDVCDYAIETMPSFPKEGSADVEPNQESLVAEACDTPEHWEAVPQSLAGRQARTLAPPELWACPIQSEHLDMAPFSSDLGSEEEEVEFWPGLTSLTLGSGQAEEEEETSSDNSGQTRYYSPCEEHPAETNQNEGSESGTIRQGEELPPEELQESQGLLHPQEVQVLEEQGQQEAGFRGEGTLREDVCADGLLGEEQMIEQVNDEKGEQKQKQEQVQDVMLGRQGERMGLTGEPEGLNDGEWEQEDMERKAQGQGGPEQGEERKRELQVPEENRADSQDEKSQTFLGKSEEVTGKQEDHGIKEKGVPVIGQEAKEPESWDGGRLGAVGRARSREEENEHHGPSMPALIAPEDSPHCDLFPGASYLVTQIPGTQTESRAEELSPAALSPSLEPIRCSHQPISLLGSFLTEESPDKE

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.4364

(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	6ar6A	0.38	7.54	0.041	0.646	model1_6ar6A.pdb.gz
2	6reyc	0.38	7.15	0.053	0.611	model1_6reyc.pdb.gz
3	4r04A	0.37	7.62	0.044	0.636	model1_4r04A.pdb.gz
4	6tntA	0.36	7.34	0.056	0.596	model1_6tntA.pdb.gz
5	7k66A	0.35	7.07	0.041	0.561	model1_7k66A.pdb.gz
6	7cpxA	0.34	7.65	0.030	0.577	model1_7cpxA.pdb.gz
7	7c6oA	0.34	6.94	0.033	0.542	model1_7c6oA.pdb.gz
8	6w98A	0.34	7.69	0.053	0.573	model1_6w98A.pdb.gz
9	7kpxC	0.33	7.56	0.031	0.565	model1_7kpxC.pdb.gz
10	5d06A	0.33	7.34	0.041	0.538	model1_5d06A.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

./A0A5F9ZGZ6-D1/GOsearchresult_final_MF.svg

Molecular Function (MF)

GO term	Cscore^GO	Name
GO:0005085	1.00	guanyl-nucleotide exchange factor activity
GO:1901363	0.82	heterocyclic compound binding
GO:0097159	0.82	organic cyclic compound binding
GO:0097367	0.81	carbohydrate derivative binding
GO:0017076	0.81	purine nucleotide binding
GO:0035639	0.80	purine ribonucleoside triphosphate binding
GO:0032555	0.80	purine ribonucleotide binding
GO:0032550	0.80	purine ribonucleoside binding
GO:0005525	0.75	GTP 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]

./A0A5F9ZGZ6-D1/GOsearchresult_final_BP.svg

Biological Process (BP)

GO term	Cscore^GO	Name
GO:1904591	1.00	positive regulation of protein import
GO:0051496	1.00	positive regulation of stress fiber assembly
GO:0051091	1.00	positive regulation of sequence-specific DNA binding transcription factor activity
GO:0043507	1.00	positive regulation of JUN kinase activity
GO:0043087	1.00	regulation of GTPase activity
GO:0070372	0.69	regulation of ERK1 and ERK2 cascade
GO:0009987	0.51	cellular 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]

./A0A5F9ZGZ6-D1/GOsearchresult_final_CC.svg

Cellular Component (CC)

GO term	Cscore^GO	Name
GO:0071944	1.00	cell periphery
GO:0005886	1.00	plasma membrane
GO:0005737	1.00	cytoplasm
GO:0005654	1.00	nucleoplasm
GO:0005634	1.00	nucleus

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	3ebgA	0.278	7.55	0.042	0.471	3.4.11.-	NA
2	0.060	1ug9A	0.302	7.08	0.032	0.483	3.2.1.70	311
3	0.060	1uaaA	0.284	7.82	0.023	0.489	3.6.4.12	NA
4	0.060	3eqlD	0.317	7.33	0.053	0.525	2.7.7.6	NA
5	0.060	3ixzA	0.284	7.69	0.029	0.485	3.6.3.10	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	2yu91	0.051	3.26	0.027	0.059	0.32	III	complex1.pdb.gz	157,158,159,160,161
2	0.01	2yu95	0.104	5.12	0.082	0.138	0.17	III	complex2.pdb.gz	90,91,155,159,162,163
3	0.01	2v469	0.068	3.43	0.048	0.077	0.16	III	complex3.pdb.gz	164,165,166
4	0.01	2yu93	0.079	4.78	0.049	0.102	0.20	III	complex4.pdb.gz	123,126,162,163,449
5	0.01	2yu97	0.051	3.26	0.027	0.059	0.21	III	complex5.pdb.gz	157,158,159,160,161,164
6	0.01	1wcm7	0.079	4.77	0.102	0.102	0.19	III	complex6.pdb.gz	159,160,162,164
7	0.01	1l0l5	0.123	5.04	0.045	0.163	0.25	III	complex7.pdb.gz	124,125,126,127,128,130

	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.