D-I-TASSER Q52LC2

D-I-TASSER results for Q52LC2

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

Summary of the Protein

Uniprot ID: Q52LC2
Protein Name: V-type proton ATPase subunit S1-like protein
Gene Name: ATP6AP1L

Input Sequence in FASTA format

>Q52LC2 (224 residues)
MRLWKARVLKLVLKTAKDSRLGLNSKWLSLKLGDAGNPRSLAIRFILTNYNKLSIQSWFS
LRRVEIISNNSIQAVFNPTGVYAPSGYSYRCQRVGSLQQDQALLLPSDTDDGSSLWEVTF
IDFQIQGFAIKGGRFTKAQDCASSFSPAFLIGLAMSLILLLVLAYALHMLIYLRYLDQQY
DLIASPAHFSQLKARDTAEEKELLRSQGAECYKLRSQQISKIYV

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	Q52LC2-D1	1-224	224		MRLWKARVLKLVLKTAKDSRLGLNSKWLSLKLGDAGNPRSLAIRFILTNYNKLSIQSWFSLRRVEIISNNSIQAVFNPTGVYAPSGYSYRCQRVGSLQQDQALLLPSDTDDGSSLWEVTFIDFQIQGFAIKGGRFTKAQDCASSFSPAFLIGLAMSLILLLVLAYALHMLIYLRYLDQQYDLIASPAHFSQLKARDTAEEKELLRSQGAECYKLRSQQISKIYV

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.5979

(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	6xbws	0.69	2.22	0.343	0.768	model1_6xbws.pdb.gz
2	5gv0A	0.48	2.51	0.163	0.549	model1_5gv0A.pdb.gz
3	4akmA	0.47	2.16	0.161	0.527	model1_4akmA.pdb.gz
4	5gv3A	0.46	2.63	0.126	0.531	model1_5gv3A.pdb.gz
5	7aqcR	0.44	5.09	0.047	0.683	model1_7aqcR.pdb.gz
6	5xjyA	0.43	5.74	0.054	0.696	model1_5xjyA.pdb.gz
7	1t3tA	0.42	5.52	0.067	0.705	model1_1t3tA.pdb.gz
8	3r74A	0.42	5.91	0.046	0.746	model1_3r74A.pdb.gz
9	6rkwA	0.42	5.93	0.033	0.741	model1_6rkwA.pdb.gz
10	4n3nA	0.41	5.86	0.043	0.701	model1_4n3nA.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:0019899	0.97	enzyme binding
GO:0017137	0.91	Rab GTPase binding
GO:0005215	0.82	transporter activity
GO:0022857	0.79	transmembrane transporter activity
GO:0015075	0.71	ion transmembrane transporter activity
GO:0015078	0.67	hydrogen ion transmembrane transporter 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	0.97	biological regulation
GO:0051179	0.96	localization
GO:0065008	0.94	regulation of biological quality
GO:0050794	0.91	regulation of cellular process
GO:2000026	0.87	regulation of multicellular organismal development
GO:0051641	0.87	cellular localization
GO:0006885	0.87	regulation of pH
GO:0051234	0.80	establishment of localization
GO:0032268	0.72	regulation of cellular protein metabolic process
GO:0044699	0.71	single-organism process
GO:0010604	0.71	positive regulation of macromolecule metabolic process
GO:0043408	0.68	regulation of MAPK cascade
GO:2001206	0.67	positive regulation of osteoclast development
GO:0070374	0.67	positive regulation of ERK1 and ERK2 cascade
GO:0051656	0.67	establishment of organelle localization
GO:0045921	0.67	positive regulation of exocytosis
GO:0045851	0.67	pH reduction
GO:0045780	0.67	positive regulation of bone resorption
GO:0045669	0.67	positive regulation of osteoblast differentiation
GO:0009987	0.59	cellular process
GO:0051701	0.54	interaction with host
GO:0044763	0.54	single-organism cellular process
GO:1902578	0.51	single-organism localization

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:0016020	0.90	membrane
GO:0044444	0.88	cytoplasmic part
GO:0044446	0.73	intracellular organelle part
GO:0005737	0.72	cytoplasm
GO:0043227	0.66	membrane-bounded organelle
GO:0044437	0.65	vacuolar part
GO:0005886	0.64	plasma membrane
GO:0031090	0.63	organelle membrane
GO:0031982	0.59	vesicle
GO:0005774	0.58	vacuolar membrane
GO:0044425	0.56	membrane part

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	3b9jC	0.369	5.66	0.021	0.612	1.17.3.2 1.17.1.4	NA
2	0.060	1jrpB	0.345	5.58	0.048	0.549	1.17.1.4	124,127
3	0.060	3l4uA	0.360	5.92	0.072	0.643	3.2.1.20 3.2.1.3	NA
4	0.060	2du7A	0.368	5.74	0.054	0.629	6.1.1.27	NA
5	0.060	1bglA	0.336	6.51	0.039	0.661	3.2.1.23	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	3g6oA	0.362	5.63	0.063	0.616	0.16	BLA	complex1.pdb.gz	48,83,85,132
2	0.01	3ibrA	0.358	5.72	0.031	0.616	0.14	BLA	complex2.pdb.gz	46,82,85
3	0.01	1t3tA	0.420	5.52	0.067	0.705	0.12	ADP	complex3.pdb.gz	57,84,132
4	0.01	3g6oB	0.318	5.94	0.046	0.545	0.19	BLA	complex4.pdb.gz	47,80,82,85,86
5	0.01	3r75A	0.357	5.97	0.032	0.634	0.34	PYR	complex5.pdb.gz	83,86,87,127,128
6	0.01	3c2wA	0.291	5.81	0.068	0.491	0.18	BLA	complex6.pdb.gz	47,80,82,85,86,87
7	0.01	1jyxA	0.388	6.60	0.060	0.746	0.20	IPT	complex7.pdb.gz	126,130,132

	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.