D-I-TASSER P02655

D-I-TASSER results for P02655

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

Summary of the Protein

Uniprot ID: P02655
Protein Name: Apolipoprotein C-II
Gene Name: APOC2

Input Sequence in FASTA format

>P02655 (101 residues)
MGTRLLPALFLVLLVLGFEVQGTQQPQQDEMPSPTFLTQVKESLSSYWESAKTAAQNLYE
KTYLPAVDEKLRDLYSKSTAAMSTYTGIFTDQVLSVLKGEE

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	P02655-D1	1-101	101		MGTRLLPALFLVLLVLGFEVQGTQQPQQDEMPSPTFLTQVKESLSSYWESAKTAAQNLYEKTYLPAVDEKLRDLYSKSTAAMSTYTGIFTDQVLSVLKGEE

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.514

(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	6m6zA	0.76	2.31	0.062	0.960	model1_6m6zA.pdb.gz
2	4akkA	0.76	2.45	0.091	0.960	model1_4akkA.pdb.gz
3	4oydB	0.72	3.03	0.061	0.980	model1_4oydB.pdb.gz
4	4tqlA1	0.72	2.66	0.113	0.960	model1_4tqlA1.pdb.gz
5	1wqgA	0.71	3.06	0.081	0.970	model1_1wqgA.pdb.gz
6	1fewA	0.71	2.80	0.103	0.960	model1_1fewA.pdb.gz
7	1ge9A	0.70	2.89	0.071	0.970	model1_1ge9A.pdb.gz
8	4gfqA2	0.69	2.82	0.042	0.931	model1_4gfqA2.pdb.gz
9	1t1mC2	0.68	3.01	0.072	0.941	model1_1t1mC2.pdb.gz
10	2v46Y2	0.61	3.49	0.092	0.951	model1_2v46Y2.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:0060230	1.00	lipoprotein lipase activator activity
GO:0046983	0.72	protein dimerization activity
GO:0008289	0.72	lipid binding
GO:0042803	0.71	protein homodimerization activity
GO:0055102	0.70	lipase inhibitor activity
GO:0043274	0.70	phospholipase binding
GO:0016004	0.70	phospholipase activator 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:0044699	0.85	single-organism process
GO:0065007	0.80	biological regulation
GO:0050789	0.79	regulation of biological process
GO:0008152	0.79	metabolic process
GO:0050794	0.77	regulation of cellular process
GO:0048518	0.75	positive regulation of biological process
GO:0080090	0.74	regulation of primary metabolic process
GO:0048522	0.74	positive regulation of cellular process
GO:0031323	0.74	regulation of cellular metabolic process
GO:0031325	0.73	positive regulation of cellular metabolic process
GO:0051336	0.72	regulation of hydrolase activity
GO:0044765	0.72	single-organism transport
GO:0031328	0.72	positive regulation of cellular biosynthetic process
GO:0019217	0.72	regulation of fatty acid metabolic process
GO:0051006	0.71	positive regulation of lipoprotein lipase activity
GO:0045723	0.71	positive regulation of fatty acid biosynthetic process
GO:0010898	0.71	positive regulation of triglyceride catabolic process
GO:0071704	0.70	organic substance metabolic process
GO:0071702	0.70	organic substance transport
GO:0044710	0.68	single-organism metabolic process
GO:0009987	0.65	cellular process
GO:0044763	0.60	single-organism cellular process
GO:0044238	0.60	primary metabolic process
GO:0044237	0.59	cellular metabolic process
GO:0006629	0.55	lipid metabolic process
GO:0048519	0.54	negative regulation of biological process
GO:0048523	0.53	negative regulation of cellular process
GO:0065008	0.52	regulation of biological quality
GO:0051239	0.52	regulation of multicellular organismal process
GO:0044255	0.52	cellular lipid metabolic process
GO:0032879	0.52	regulation of localization
GO:0051051	0.51	negative regulation of transport
GO:0045937	0.51	positive regulation of phosphate metabolic process
GO:0044707	0.51	single-multicellular organism process
GO:0009892	0.51	negative regulation of metabolic process
GO:0051241	0.50	negative regulation of multicellular organismal process
GO:0051129	0.50	negative regulation of cellular component organization
GO:0045833	0.50	negative regulation of lipid metabolic process
GO:0042592	0.50	homeostatic process
GO:0033344	0.50	cholesterol efflux
GO:0032368	0.50	regulation of lipid transport
GO:0010517	0.50	regulation of phospholipase activity
GO:0001523	0.50	retinoid 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:0070062	1.00	extracellular exosome
GO:0044444	1.00	cytoplasmic part
GO:0042627	1.00	chylomicron
GO:0034366	1.00	spherical high-density lipoprotein particle
GO:0034363	1.00	intermediate-density lipoprotein particle
GO:0034362	1.00	low-density lipoprotein particle
GO:0034361	1.00	very-low-density lipoprotein particle
GO:0005615	1.00	extracellular space
GO:0005576	1.00	extracellular region
GO:0043229	0.69	intracellular organelle
GO:0043231	0.68	intracellular membrane-bounded organelle
GO:0005768	0.66	endosome
GO:0005769	0.65	early endosome

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	0.348	1wu0A	0.490	2.64	0.058	0.673	3.6.3.14	42
2	0.124	1urfA	0.505	2.77	0.030	0.653	2.7.11.13	44,84
3	0.108	3eabA	0.526	3.29	0.099	0.792	3.6.4.3	10,41
4	0.067	3k1sA	0.628	3.50	0.083	0.941	2.7.1.69	NA
5	0.067	2e2aA	0.598	3.67	0.053	0.921	2.7.1.69	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	0.02	1g730	0.688	3.14	0.091	0.980	0.40	III	complex1.pdb.gz	86,90,96
2	0.01	3mgnD	0.349	1.65	0.044	0.386	1.15	UUU	complex2.pdb.gz	85,88,89,92,93,96
3	0.01	1czqA	0.345	1.69	0.044	0.386	1.25	III	complex3.pdb.gz	86,89,92,96,97
4	0.01	2r5bA	0.339	2.08	0.044	0.396	1.25	III	complex4.pdb.gz	86,89,92,93,96,97
5	0.01	3mylX	0.487	4.43	0.031	0.852	0.45	POP	complex5.pdb.gz	17,18,21,40,41,42,90

	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.