D-I-TASSER Q6IE36

D-I-TASSER results for Q6IE36

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

Summary of the Protein

Uniprot ID: Q6IE36
Protein Name: Ovostatin homolog 2
Gene Name: OVOS2

Input Sequence in FASTA format

>Q6IE36 (1432 residues)
MTGSHLSHDSWQYVLLIPSVLQEGSLDKACAQLFNLTESVVLTVSLNYGEVQTKIFEENV
TGENFFKCISFEVPQARSDPLAFITFSAKGATLNLEERRSVAIRSRENVVFVQTDKPTYK
PGQKDVNGIAQFFLDTYTFTYPNITLKDPQNNRIFQWQNVTSFRNITQLSFQLISEPMFG
DYWIVVKRNSRKTVTHQFAVKRYVLPKFEVTVNAPQTVTISDDEFQVDVCAKYTFGQPVQ
GKTQIRVCREYFSSSNCEKNDNEICEQFIAQLENGCVSQIVNTKVFQLYRSGLFMTFHVA
VIVTEFGTGNYCMQISEKTSVFITQLLGTVNFENMDTFYRRGISYFGTLKFSDPNNVPMV
NKLLQLELNDEFIGNYTTDENGEAQFSIDTSDIFDPEFNLKATYVRPKSCYLPSWLTPQY
LDAHFLVSRFYSRTNSFLKIVPEPKQLECNHQKVVTVHYSLNSEAYEDDSNVKFFYLVSL
SHDSGNFQHRISSSPIYTAWNGNFSFPLSISADLAPAAVLFVYTLHPSGEIVADSVRFQV
DKCFKHKVNIKFSNEQGLPGSNASLYLQAAPVLFCALGAVDGNVLLLKSEQQLSAESVYN
MVPSIEPYGYFYHGLNLDDGKEDPCIPQRDMFYNGLYYTPVSNYGDGDIYNIVRNMGLKV
FTNLHYRKPEVCVMERRLPLPKPLYLETENYGPMHSVPSRIACRGENADYVEQAIIQTVR
TNFPETWMWDLVSVDSSGSANLSFLIPDTITQWEASGFCVNGDVGFGISSTTTLEVSQPF
FIEIASPFSVVQNEQFDLIVNAFSYLNTCVEISVQVEESQNYEANINTWKINGSEVIQAG
GRKTNIWTIIPKKLGKVNITVVAESKQSSACPNEGMEQQKLNWKDTVVKSFLVEPEGIEK
ERTQSFLICTEGAKASKQGVLDLPNDVVEGSARGFFTVVGDILGLAMQNLVVLQMPYGGG
EQNAALLASDTYVLDYLKSTEQLTEEVQSKAFFLLSNGYQRQLSFKNSDGSYSVFWQQNQ
KGSIWLSALTFKTLERMKKFVFIDENVQKQTLIWLSSQQKTSGCFKNDGQLFNHAWEGGD
EEDISLTAYVVGMFFEAGLNSTFPALRNALFCLEAALDSGVTNGYNHAILAYAFALAGKE
KQVESLLQTLDQSATKLNNVIYWERERKPKTEEFPSFIPWAPSAQTEKSCYVLLAVISRK
IPDLTYASKIVQWLAQQMNSHGGFSSNQVINVGLILIAICGEEGLFSKNQNTVTFSSEGS
SEIQFNGHNRLLVQRSEVTQAPGQYTVDVEGRGCTFIQATLKYNVLLPKKASGFSLSLEI
VKNYSLTVFDLTVNLKYTGIRNKSSMVVIDVKMLSGFTPTMSSIEELENKGQVMKTEVKN
DHVLFYLENVFGRADSFTFSVEQSNLVFNIQPAPGMVYDYYEKDGEAFLLTN

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	Q6IE36-D1	1-109,428-542	224		MTGSHLSHDSWQYVLLIPSVLQEGSLDKACAQLFNLTESVVLTVSLNYGEVQTKIFEENVTGENFFKCISFEVPQARSDPLAFITFSAKGATLNLEERRSVAIRSRENVSRFYSRTNSFLKIVPEPKQLECNHQKVVTVHYSLNSEAYEDDSNVKFFYLVSLSHDSGNFQHRISSSPIYTAWNGNFSFPLSISADLAPAAVLFVYTLHPSGEIVADSVRFQVDK
2	Q6IE36-D2	110-207,543-643,720-777	257		VFVQTDKPTYKPGQKDVNGIAQFFLDTYTFTYPNITLKDPQNNRIFQWQNVTSFRNITQLSFQLISEPMFGDYWIVVKRNSRKTVTHQFAVKRYVLPKCFKHKVNIKFSNEQGLPGSNASLYLQAAPVLFCALGAVDGNVLLLKSEQQLSAESVYNMVPSIEPYGYFYHGLNLDDGKEDPCIPQRDMFYNGLYYTPVSNRTNFPETWMWDLVSVDSSGSANLSFLIPDTITQWEASGFCVNGDVGFGISSTTTLEVS
3	Q6IE36-D3	208-325	118		FEVTVNAPQTVTISDDEFQVDVCAKYTFGQPVQGKTQIRVCREYFSSSNCEKNDNEICEQFIAQLENGCVSQIVNTKVFQLYRSGLFMTFHVAVIVTEFGTGNYCMQISEKTSVFITQ
4	Q6IE36-D4	326-427	102		LLGTVNFENMDTFYRRGISYFGTLKFSDPNNVPMVNKLLQLELNDEFIGNYTTDENGEAQFSIDTSDIFDPEFNLKATYVRPKSCYLPSWLTPQYLDAHFLV
5	Q6IE36-D5	644-719,896-1432	613		YGDGDIYNIVRNMGLKVFTNLHYRKPEVCVMERRLPLPKPLYLETENYGPMHSVPSRIACRGENADYVEQAIIQTVEGIEKERTQSFLICTEGAKASKQGVLDLPNDVVEGSARGFFTVVGDILGLAMQNLVVLQMPYGGGEQNAALLASDTYVLDYLKSTEQLTEEVQSKAFFLLSNGYQRQLSFKNSDGSYSVFWQQNQKGSIWLSALTFKTLERMKKFVFIDENVQKQTLIWLSSQQKTSGCFKNDGQLFNHAWEGGDEEDISLTAYVVGMFFEAGLNSTFPALRNALFCLEAALDSGVTNGYNHAILAYAFALAGKEKQVESLLQTLDQSATKLNNVIYWERERKPKTEEFPSFIPWAPSAQTEKSCYVLLAVISRKIPDLTYASKIVQWLAQQMNSHGGFSSNQVINVGLILIAICGEEGLFSKNQNTVTFSSEGSSEIQFNGHNRLLVQRSEVTQAPGQYTVDVEGRGCTFIQATLKYNVLLPKKASGFSLSLEIVKNYSLTVFDLTVNLKYTGIRNKSSMVVIDVKMLSGFTPTMSSIEELENKGQVMKTEVKNDHVLFYLENVFGRADSFTFSVEQSNLVFNIQPAPGMVYDYYEKDGEAFLLTN
6	Q6IE36-D6	778-895	118		QPFFIEIASPFSVVQNEQFDLIVNAFSYLNTCVEISVQVEESQNYEANINTWKINGSEVIQAGGRKTNIWTIIPKKLGKVNITVVAESKQSSACPNEGMEQQKLNWKDTVVKSFLVEP

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.57

(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	2pn5A	0.82	2.71	0.209	0.851	model1_2pn5A.pdb.gz
2	3cu7A	0.63	5.27	0.138	0.710	model1_3cu7A.pdb.gz
3	4u48A	0.63	6.90	0.089	0.774	model1_4u48A.pdb.gz
4	2b39A	0.60	5.48	0.142	0.686	model1_2b39A.pdb.gz
5	7ad7A	0.45	2.95	0.192	0.477	model1_7ad7A.pdb.gz
6	6tavA	0.40	8.76	0.131	0.564	model1_6tavA.pdb.gz
7	4fxgB	0.39	3.85	0.179	0.420	model1_4fxgB.pdb.gz
8	6ysqA	0.38	8.85	0.087	0.533	model1_6ysqA.pdb.gz
9	4acqA	0.36	8.64	0.164	0.500	model1_4acqA.pdb.gz
10	2icfB1	0.19	3.33	0.263	0.199	model1_2icfB1.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:0030414	0.61	peptidase inhibitor activity
GO:0005102	0.52	receptor binding
GO:0004866	0.50	endopeptidase inhibitor 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:0050896	0.76	response to stimulus
GO:0044699	0.66	single-organism process
GO:0065007	0.64	biological regulation
GO:0050789	0.64	regulation of biological process
GO:0048583	0.60	regulation of response to stimulus
GO:0006952	0.60	defense response
GO:0019222	0.59	regulation of metabolic process
GO:0051246	0.58	regulation of protein metabolic process
GO:0002682	0.55	regulation of immune system process
GO:0050776	0.54	regulation of immune response
GO:0048518	0.54	positive regulation of biological process
GO:0030162	0.53	regulation of proteolysis
GO:0006955	0.53	immune response
GO:0048584	0.52	positive regulation of response to stimulus
GO:0032101	0.52	regulation of response to external stimulus
GO:0080134	0.51	regulation of response to stress
GO:0072376	0.51	protein activation cascade
GO:0050794	0.51	regulation of cellular process
GO:0002684	0.50	positive regulation of immune system 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:0044421	0.91	extracellular region part
GO:0005615	0.80	extracellular space
GO:0005576	0.73	extracellular region
GO:0044464	0.70	cell part
GO:0070062	0.66	extracellular exosome
GO:0005886	0.50	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	2vdcA	0.237	10.14	0.035	0.370	1.4.1.13	NA
2	0.060	3btaA	0.213	10.44	0.036	0.341	3.4.24.69	NA
3	0.060	2vuaA	0.132	7.19	0.061	0.171	3.4.24.69	NA
4	0.060	2ow6A	0.235	9.30	0.042	0.348	3.2.1.114	NA
5	0.060	2vkzG	0.249	10.28	0.028	0.392	2.3.1.38 3.1.2.14	170

	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:

Click to view	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	1m6vC	0.239	9.14	0.035	0.351	0.11	ADP	complex1.pdb.gz	113,178,180,181,182
	2	0.01	1ce8A	0.239	9.19	0.035	0.353	0.15	IMP	complex2.pdb.gz	111,112,128

	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.