D-I-TASSER P17813

D-I-TASSER results for P17813

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

Summary of the Protein

Uniprot ID: P17813
Protein Name: Endoglin
Gene Name: ENG

Input Sequence in FASTA format

>P17813 (658 residues)
MDRGTLPLAVALLLASCSLSPTSLAETVHCDLQPVGPERGEVTYTTSQVSKGCVAQAPNA
ILEVHVLFLEFPTGPSQLELTLQASKQNGTWPREVLLVLSVNSSVFLHLQALGIPLHLAY
NSSLVTFQEPPGVNTTELPSFPKTQILEWAAERGPITSAAELNDPQSILLRLGQAQGSLS
FCMLEASQDMGRTLEWRPRTPALVRGCHLEGVAGHKEAHILRVLPGHSAGPRTVTVKVEL
SCAPGDLDAVLILQGPPYVSWLIDANHNMQIWTTGEYSFKIFPEKNIRGFKLPDTPQGLL
GEARMLNASIVASFVELPLASIVSLHASSCGGRLQTSPAPIQTTPPKDTCSPELLMSLIQ
TKCADDAMTLVLKKELVAHLKCTITGLTFWDPSCEAEDRGDKFVLRSAYSSCGMQVSASM
ISNEAVVNILSSSSPQRKKVHCLNMDSLSFQLGLYLSPHFLQASNTIEPGQQSFVQVRVS
PSVSEFLLQLDSCHLDLGPEGGTVELIQGRAAKGNCVSLLSPSPEGDPRFSFLLHFYTVP
IPKTGTLSCTVALRPKTGSQDQEVHRTVFMRLNIISPDLSGCTSKGLVLPAVLGITFGAF
LIGALLTAALWYIYSHTRSPSKREPVVAVAAPASSESSSTNHSIGSTQSTPCSTSSMA

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	P17813-D1	1-206	206		MDRGTLPLAVALLLASCSLSPTSLAETVHCDLQPVGPERGEVTYTTSQVSKGCVAQAPNAILEVHVLFLEFPTGPSQLELTLQASKQNGTWPREVLLVLSVNSSVFLHLQALGIPLHLAYNSSLVTFQEPPGVNTTELPSFPKTQILEWAAERGPITSAAELNDPQSILLRLGQAQGSLSFCMLEASQDMGRTLEWRPRTPALVRG
2	P17813-D2	207-336	130		CHLEGVAGHKEAHILRVLPGHSAGPRTVTVKVELSCAPGDLDAVLILQGPPYVSWLIDANHNMQIWTTGEYSFKIFPEKNIRGFKLPDTPQGLLGEARMLNASIVASFVELPLASIVSLHASSCGGRLQT
3	P17813-D3	337-442	106		SPAPIQTTPPKDTCSPELLMSLIQTKCADDAMTLVLKKELVAHLKCTITGLTFWDPSCEAEDRGDKFVLRSAYSSCGMQVSASMISNEAVVNILSSSSPQRKKVHC
4	P17813-D4	443-658	216		LNMDSLSFQLGLYLSPHFLQASNTIEPGQQSFVQVRVSPSVSEFLLQLDSCHLDLGPEGGTVELIQGRAAKGNCVSLLSPSPEGDPRFSFLLHFYTVPIPKTGTLSCTVALRPKTGSQDQEVHRTVFMRLNIISPDLSGCTSKGLVLPAVLGITFGAFLIGALLTAALWYIYSHTRSPSKREPVVAVAAPASSESSSTNHSIGSTQSTPCSTSSMA

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.52

(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	7eddA	0.37	7.48	0.046	0.555	model1_7eddA.pdb.gz
2	6eojA	0.35	8.43	0.043	0.599	model1_6eojA.pdb.gz
3	5eanA	0.35	8.56	0.056	0.594	model1_5eanA.pdb.gz
4	6uebA	0.35	7.90	0.058	0.555	model1_6uebA.pdb.gz
5	5aorA	0.35	8.19	0.035	0.570	model1_5aorA.pdb.gz
6	6h3iA	0.34	8.39	0.033	0.576	model1_6h3iA.pdb.gz
7	3eifA	0.34	7.18	0.053	0.503	model1_3eifA.pdb.gz
8	6bk8B	0.34	7.92	0.051	0.546	model1_6bk8B.pdb.gz
9	3j3iA	0.34	8.30	0.042	0.567	model1_3j3iA.pdb.gz
10	1ii0B	0.25	7.81	0.040	0.398	model1_1ii0B.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:0005160	0.94	transforming growth factor beta receptor binding
GO:0005114	0.90	type II transforming growth factor beta receptor binding
GO:0004871	0.89	signal transducer activity
GO:0003824	0.80	catalytic activity
GO:0038023	0.78	signaling receptor activity
GO:0016740	0.78	transferase activity
GO:0005024	0.77	transforming growth factor beta-activated receptor activity
GO:0097367	0.68	carbohydrate derivative binding
GO:0005539	0.65	glycosaminoglycan binding
GO:0034713	0.52	type I transforming growth factor beta receptor 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:0050794	1.00	regulation of cellular process
GO:0044699	0.93	single-organism process
GO:0009987	0.93	cellular process
GO:0044763	0.91	single-organism cellular process
GO:0044767	0.90	single-organism developmental process
GO:0048518	0.89	positive regulation of biological process
GO:0048522	0.88	positive regulation of cellular process
GO:0060255	0.84	regulation of macromolecule metabolic process
GO:0048856	0.83	anatomical structure development
GO:0010468	0.83	regulation of gene expression
GO:0009893	0.81	positive regulation of metabolic process
GO:0051239	0.80	regulation of multicellular organismal process
GO:0010628	0.80	positive regulation of gene expression
GO:0080090	0.78	regulation of primary metabolic process
GO:0031323	0.78	regulation of cellular metabolic process
GO:0048583	0.77	regulation of response to stimulus
GO:0009889	0.77	regulation of biosynthetic process
GO:0010556	0.76	regulation of macromolecule biosynthetic process
GO:0009966	0.76	regulation of signal transduction
GO:0017015	0.75	regulation of transforming growth factor beta receptor signaling pathway
GO:0031325	0.74	positive regulation of cellular metabolic process
GO:0051240	0.73	positive regulation of multicellular organismal process
GO:0010557	0.73	positive regulation of macromolecule biosynthetic process
GO:0001934	0.73	positive regulation of protein phosphorylation
GO:0050896	0.69	response to stimulus
GO:0048513	0.67	animal organ development
GO:0009628	0.63	response to abiotic stimulus
GO:0007165	0.63	signal transduction
GO:0007179	0.54	transforming growth factor beta receptor signaling pathway
GO:0042221	0.51	response to chemical
GO:0010033	0.50	response to organic substance

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	1.00	cell part
GO:0044424	0.78	intracellular part
GO:0044425	0.71	membrane part
GO:0044421	0.65	extracellular region part
GO:0044422	0.63	organelle part
GO:0044446	0.62	intracellular organelle part
GO:0005615	0.62	extracellular space
GO:0044428	0.58	nuclear part
GO:0005737	0.58	cytoplasm
GO:0005654	0.56	nucleoplasm
GO:0009986	0.50	cell surface

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	2ckjA	0.320	8.65	0.047	0.547	1.17.1.4 1.17.3.2	NA
2	0.060	1ahpA	0.296	8.34	0.046	0.492	2.4.1.1	NA
3	0.060	3h09B	0.296	8.12	0.037	0.477	3.4.21.72	NA
4	0.060	2j5wA	0.298	7.86	0.028	0.473	1.16.3.1	NA
5	0.060	3ffzA	0.310	7.86	0.038	0.489	3.4.24.69	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	2ckjC	0.324	8.30	0.047	0.535	0.46	FES	complex1.pdb.gz	389,390,391,412,414
2	0.01	1fo4A	0.337	8.16	0.044	0.549	0.43	FES	complex2.pdb.gz	394,411,412,414,423
3	0.01	2ckjD	0.328	8.17	0.032	0.535	0.52	FES	complex3.pdb.gz	391,392,393,394,408,411,412,413
4	0.01	2ckjB	0.326	8.23	0.037	0.535	0.41	FES	complex4.pdb.gz	392,393,394,407

	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.