D-I-TASSER Q96KS0

D-I-TASSER results for Q96KS0

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

Summary of the Protein

Uniprot ID: Q96KS0
Protein Name: Egl nine homolog 2
Gene Name: EGLN2

Input Sequence in FASTA format

>Q96KS0 (407 residues)
MDSPCQPQPLSQALPQLPGSSSEPLEPEPGRARMGVESYLPCPLLPSYHCPGVPSEASAG
SGTPRATATSTTASPLRDGFGGQDGGELRPLQSEGAAALVTKGCQRLAAQGARPEAPKRK
WAEDGGDAPSPSKRPWARQENQEAEREGGMSCSCSSGSGEASAGLMEEALPSAPERLALD
YIVPCMRYYGICVKDSFLGAALGGRVLAEVEALKRGGRLRDGQLVSQRAIPPRSIRGDQI
AWVEGHEPGCRSIGALMAHVDAVIRHCAGRLGSYVINGRTKAMVACYPGNGLGYVRHVDN
PHGDGRCITCIYYLNQNWDVKVHGGLLQIFPEGRPVVANIEPLFDRLLIFWSDRRNPHEV
KPAYATRYAITVWYFDAKERAAAKDKYQLASGQKGVQVPVSQPPTPT

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 DeepPotential. 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	Q96KS0-D1	1-407	407		MDSPCQPQPLSQALPQLPGSSSEPLEPEPGRARMGVESYLPCPLLPSYHCPGVPSEASAGSGTPRATATSTTASPLRDGFGGQDGGELRPLQSEGAAALVTKGCQRLAAQGARPEAPKRKWAEDGGDAPSPSKRPWARQENQEAEREGGMSCSCSSGSGEASAGLMEEALPSAPERLALDYIVPCMRYYGICVKDSFLGAALGGRVLAEVEALKRGGRLRDGQLVSQRAIPPRSIRGDQIAWVEGHEPGCRSIGALMAHVDAVIRHCAGRLGSYVINGRTKAMVACYPGNGLGYVRHVDNPHGDGRCITCIYYLNQNWDVKVHGGLLQIFPEGRPVVANIEPLFDRLLIFWSDRRNPHEVKPAYATRYAITVWYFDAKERAAAKDKYQLASGQKGVQVPVSQPPTPT

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.686

(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 DeepPotential, 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	5v1bA	0.51	1.30	0.898	0.516	model1_5v1bA.pdb.gz
2	2hbtA	0.50	1.98	0.658	0.523	model1_2hbtA.pdb.gz
3	6ey1A	0.49	1.71	0.529	0.509	model1_6ey1A.pdb.gz
4	4iw3A	0.46	1.83	0.274	0.484	model1_4iw3A.pdb.gz
5	7e8zA	0.46	4.12	0.086	0.555	model1_7e8zA.pdb.gz
6	6t8mA	0.44	2.41	0.267	0.479	model1_6t8mA.pdb.gz
7	2csgA	0.44	4.63	0.074	0.565	model1_2csgA.pdb.gz
8	7w5sA	0.44	3.73	0.114	0.531	model1_7w5sA.pdb.gz
9	4xaeA	0.44	3.70	0.084	0.523	model1_4xaeA.pdb.gz
10	7ekdA	0.44	3.96	0.090	0.533	model1_7ekdA.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	0.96	catalytic activity
GO:0016706	0.95	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, 2-oxoglutarate as one donor, and incorporation of one atom each of oxygen into both donors
GO:0031543	0.72	peptidyl-proline dioxygenase activity
GO:0031545	0.66	peptidyl-proline 4-dioxygenase activity
GO:0019826	0.51	oxygen sensor 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:0065007	0.99	biological regulation
GO:0050789	0.99	regulation of biological process
GO:0050794	0.97	regulation of cellular process
GO:0009987	0.90	cellular process
GO:0044699	0.88	single-organism process
GO:0044763	0.86	single-organism cellular process
GO:0050896	0.81	response to stimulus
GO:0006950	0.80	response to stress
GO:0001666	0.78	response to hypoxia
GO:0008152	0.69	metabolic process
GO:0071704	0.67	organic substance metabolic process
GO:0044238	0.66	primary metabolic process
GO:0044237	0.66	cellular metabolic process
GO:0048518	0.65	positive regulation of biological process
GO:0044260	0.65	cellular macromolecule metabolic process
GO:0044710	0.63	single-organism metabolic process
GO:0006807	0.63	nitrogen compound metabolic process
GO:0044281	0.61	small molecule metabolic process
GO:0019538	0.61	protein metabolic process
GO:1901564	0.60	organonitrogen compound metabolic process
GO:0080090	0.60	regulation of primary metabolic process
GO:0006464	0.60	cellular protein modification process
GO:1901214	0.59	regulation of neuron death
GO:0060255	0.59	regulation of macromolecule metabolic process
GO:0018401	0.59	peptidyl-proline hydroxylation to 4-hydroxy-L-proline
GO:0065008	0.58	regulation of biological quality
GO:0042592	0.56	homeostatic process
GO:0042981	0.55	regulation of apoptotic process
GO:0019725	0.51	cellular homeostasis
GO:0031323	0.50	regulation of cellular 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:0044424	1.00	intracellular part
GO:0043226	0.68	organelle
GO:0043229	0.67	intracellular organelle
GO:0044446	0.65	intracellular organelle part
GO:0043227	0.65	membrane-bounded organelle
GO:0043231	0.64	intracellular membrane-bounded organelle
GO:0005634	0.62	nucleus
GO:0044428	0.59	nuclear part
GO:0005654	0.55	nucleoplasm

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	3b9jI	0.172	5.55	0.022	0.248	1.17.1.4 1.17.3.2	NA
2	0.060	1fo4A	0.344	6.35	0.044	0.528	1.17.1.4	NA
3	0.060	3b9jC	0.266	6.98	0.027	0.437	1.17.3.2 1.17.1.4	NA
4	0.060	2vz9B	0.268	6.72	0.030	0.425	2.3.1.85	323
5	0.060	2a1xA	0.390	3.76	0.104	0.464	1.14.11.18	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	0.56	3oujA	0.510	1.61	0.646	0.526	1.64	UUU	complex1.pdb.gz	294,297,299,311,313,327,358,360,367
2	0.31	3hqrA	0.524	1.65	0.667	0.543	1.61	III	complex2.pdb.gz	223,235,236,242,261,264,265,276,277,278,279,281,294,296,297,298,299,301,304,306,354,373,374,375,380,384,387
3	0.01	1uobA	0.407	4.42	0.109	0.513	0.42	UUU	complex3.pdb.gz	283,285,293,296,326,359,367,369,371
4	0.01	1mzeA	0.399	4.57	0.067	0.506	0.47	UUU	complex4.pdb.gz	287,294,297,313,325,360,371
5	0.01	3d8cA	0.405	4.82	0.084	0.526	0.44	AKG	complex5.pdb.gz	293,296,309,311,358,360,371,373

	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, Qiqige Wuyun, Yang Li, Quancheng Liu, Xiaogen Zhou, Yiheng Zhu, P. Lydia Freddolino, Yang Zhang. Integrating deep learning potentials with I-TASSER for single- and multi-domain protein structure prediction. Submitted. 2023.