D-I-TASSER P08910

D-I-TASSER results for P08910

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

Summary of the Protein

Uniprot ID: P08910
Protein Name: Monoacylglycerol lipase ABHD2
Gene Name: ABHD2

Input Sequence in FASTA format

>P08910 (425 residues)
MNAMLETPELPAVFDGVKLAAVAAVLYVIVRCLNLKSPTAPPDLYFQDSGLSRFLLKSCP
LLTKEYIPPLIWGKSGHIQTALYGKMGRVRSPHPYGHRKFITMSDGATSTFDLFEPLAEH
CVGDDITMVICPGIANHSEKQYIRTFVDYAQKNGYRCAVLNHLGALPNIELTSPRMFTYG
CTWEFGAMVNYIKKTYPLTQLVVVGFSLGGNIVCKYLGETQANQEKVLCCVSVCQGYSAL
RAQETFMQWDQCRRFYNFLMADNMKKIILSHRQALFGDHVKKPQSLEDTDLSRLYTATSL
MQIDDNVMRKFHGYNSLKEYYEEESCMRYLHRIYVPLMLVNAADDPLVHESLLTIPKSLS
EKRENVMFVLPLHGGHLGFFEGSVLFPEPLTWMDKLVVEYANAICQWERNKLQCSDTEQV
EADLE

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	P08910-D1	1-425	425		MNAMLETPELPAVFDGVKLAAVAAVLYVIVRCLNLKSPTAPPDLYFQDSGLSRFLLKSCPLLTKEYIPPLIWGKSGHIQTALYGKMGRVRSPHPYGHRKFITMSDGATSTFDLFEPLAEHCVGDDITMVICPGIANHSEKQYIRTFVDYAQKNGYRCAVLNHLGALPNIELTSPRMFTYGCTWEFGAMVNYIKKTYPLTQLVVVGFSLGGNIVCKYLGETQANQEKVLCCVSVCQGYSALRAQETFMQWDQCRRFYNFLMADNMKKIILSHRQALFGDHVKKPQSLEDTDLSRLYTATSLMQIDDNVMRKFHGYNSLKEYYEEESCMRYLHRIYVPLMLVNAADDPLVHESLLTIPKSLSEKRENVMFVLPLHGGHLGFFEGSVLFPEPLTWMDKLVVEYANAICQWERNKLQCSDTEQVEADLE

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.6812

(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	1zd4A	0.61	4.12	0.092	0.751	model1_1zd4A.pdb.gz
2	6v7nA	0.61	3.45	0.117	0.701	model1_6v7nA.pdb.gz
3	1k8qA	0.60	4.09	0.114	0.711	model1_1k8qA.pdb.gz
4	4zwnA	0.59	3.43	0.103	0.678	model1_4zwnA.pdb.gz
5	5l8sA	0.59	3.97	0.141	0.692	model1_5l8sA.pdb.gz
6	4qlaA	0.58	4.34	0.073	0.713	model1_4qlaA.pdb.gz
7	2xe4A	0.58	4.22	0.097	0.701	model1_2xe4A.pdb.gz
8	6z68A	0.58	3.95	0.079	0.685	model1_6z68A.pdb.gz
9	3vdxA	0.58	3.62	0.107	0.668	model1_3vdxA.pdb.gz
10	5uroA	0.58	4.24	0.143	0.706	model1_5uroA.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:0016788	0.97	hydrolase activity, acting on ester bonds
GO:0016298	0.91	lipase activity
GO:0052689	0.84	carboxylic ester hydrolase activity
GO:0047372	0.69	acylglycerol lipase activity
GO:0038023	0.68	signaling receptor activity
GO:0042562	0.67	hormone binding
GO:0003707	0.67	steroid hormone receptor 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:0008152	0.99	metabolic process
GO:0044699	0.94	single-organism process
GO:0071704	0.93	organic substance metabolic process
GO:0044238	0.93	primary metabolic process
GO:0044710	0.92	single-organism metabolic process
GO:0006629	0.91	lipid metabolic process
GO:0009987	0.87	cellular process
GO:0044237	0.82	cellular metabolic process
GO:0044763	0.81	single-organism cellular process
GO:0065007	0.80	biological regulation
GO:0050794	0.79	regulation of cellular process
GO:0044255	0.78	cellular lipid metabolic process
GO:0016042	0.76	lipid catabolic process
GO:0044242	0.75	cellular lipid catabolic process
GO:0007165	0.74	signal transduction
GO:0006639	0.73	acylglycerol metabolic process
GO:0042221	0.72	response to chemical
GO:0046464	0.71	acylglycerol catabolic process
GO:0043401	0.71	steroid hormone mediated signaling pathway
GO:0032570	0.71	response to progesterone

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	0.96	cell part
GO:0016020	0.87	membrane
GO:0043226	0.81	organelle
GO:0044424	0.77	intracellular part
GO:0005886	0.73	plasma membrane
GO:0097524	0.62	sperm plasma membrane
GO:0036126	0.62	sperm flagellum
GO:0044444	0.58	cytoplasmic part
GO:0043229	0.56	intracellular organelle
GO:0043227	0.50	membrane-bounded organelle

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	0.099	1a88B	0.565	3.29	0.140	0.638	1.11.1.10	NA
2	0.099	1zoiA	0.563	3.33	0.125	0.638	3.1.1.-	207,376
3	0.098	1j1iA	0.534	2.86	0.123	0.595	3.7.1.8	135,207
4	0.097	1mt3A	0.570	3.35	0.108	0.652	3.4.11.5	NA
5	0.096	1va4A	0.559	3.07	0.124	0.626	3.1.1.2	207

	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	0.12	1k8qA	0.599	4.09	0.114	0.711	0.68	C11	complex1.pdb.gz	133,134,207,208,347,376
2	0.11	1qfmA	0.576	4.14	0.111	0.689	0.68	SGL	complex2.pdb.gz	133,207,208,236
3	0.10	3azqB	0.574	4.10	0.112	0.685	0.66	III	complex3.pdb.gz	207,208,236,241,348,376
4	0.10	2wugA	0.568	3.24	0.102	0.647	0.73	HPK	complex4.pdb.gz	133,134,135,136,206,207,208,376,377

	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.