D-I-TASSER Q96NL1

D-I-TASSER results for Q96NL1

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

Summary of the Protein

Uniprot ID: Q96NL1
Protein Name: Transmembrane protein 74
Gene Name: TMEM74

Input Sequence in FASTA format

>Q96NL1 (305 residues)
MELHYLAKKSNQADLCDARDWSSRGLPGDQADTAATRAALCCQKQCASTPRATEMEGSKL
SSSPASPSSSLQNSTLQPDAFPPGLLHSGNNQITAERKVCNCCSQELETSFTYVDKNINL
EQRNRSSPSAKGHNHPGELGWENPNEWSQEAAISLISEEEDDTSSEATSSGKSIDYGFIS
AILFLVTGILLVIISYIVPREVTVDPNTVAAREMERLEKESARLGAHLDRCVIAGLCLLT
LGGVILSCLLMMSMWKGELYRRNRFASSKESAKLYGSFNFRMKTSTNENTLELSLVEEDA
LAVQS

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	Q96NL1-D1	1-305	305		MELHYLAKKSNQADLCDARDWSSRGLPGDQADTAATRAALCCQKQCASTPRATEMEGSKLSSSPASPSSSLQNSTLQPDAFPPGLLHSGNNQITAERKVCNCCSQELETSFTYVDKNINLEQRNRSSPSAKGHNHPGELGWENPNEWSQEAAISLISEEEDDTSSEATSSGKSIDYGFISAILFLVTGILLVIISYIVPREVTVDPNTVAAREMERLEKESARLGAHLDRCVIAGLCLLTLGGVILSCLLMMSMWKGELYRRNRFASSKESAKLYGSFNFRMKTSTNENTLELSLVEEDALAVQS

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.3749

(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	2gtqA	0.44	6.23	0.030	0.725	model1_2gtqA.pdb.gz
2	4n5cA	0.44	6.34	0.064	0.741	model1_4n5cA.pdb.gz
3	6hq6A	0.43	6.22	0.050	0.712	model1_6hq6A.pdb.gz
4	4p8qA	0.43	6.52	0.039	0.738	model1_4p8qA.pdb.gz
5	2xdtA	0.43	6.09	0.071	0.698	model1_2xdtA.pdb.gz
6	4kx7A	0.43	6.31	0.054	0.708	model1_4kx7A.pdb.gz
7	6w2jA	0.43	7.09	0.046	0.787	model1_6w2jA.pdb.gz
8	2f6dA	0.42	5.90	0.066	0.662	model1_2f6dA.pdb.gz
9	1lf9A	0.41	6.18	0.068	0.672	model1_1lf9A.pdb.gz
10	2dqmA	0.37	6.59	0.043	0.646	model1_2dqmA.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:0016787	0.42	hydrolase activity
GO:0043167	0.41	ion binding
GO:0046872	0.39	metal ion binding
GO:0070011	0.37	peptidase activity, acting on L-amino acid peptides
GO:0046914	0.37	transition metal ion binding
GO:0033218	0.33	amide binding
GO:0008235	0.33	metalloexopeptidase activity
GO:0004177	0.33	aminopeptidase activity
GO:1901363	0.31	heterocyclic compound binding
GO:0097159	0.31	organic cyclic compound 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:0009987	0.83	cellular process
GO:0032502	0.61	developmental process
GO:0007399	0.59	nervous system development
GO:0071704	0.58	organic substance metabolic process
GO:0044237	0.57	cellular metabolic process
GO:0043170	0.57	macromolecule metabolic process
GO:0044238	0.56	primary metabolic process
GO:0019538	0.53	protein 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:0044444	0.95	cytoplasmic part
GO:0043231	0.95	intracellular membrane-bounded organelle
GO:0016020	0.83	membrane
GO:0005886	0.79	plasma membrane
GO:0031988	0.78	membrane-bounded vesicle
GO:0031410	0.73	cytoplasmic vesicle
GO:0016023	0.71	cytoplasmic, membrane-bounded vesicle
GO:0005737	0.70	cytoplasm
GO:0044446	0.66	intracellular organelle part
GO:0043025	0.55	neuronal cell body
GO:0044425	0.50	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	1y791	0.390	6.27	0.051	0.633	3.4.15.5	NA
2	0.060	1hcuB	0.414	6.35	0.060	0.685	3.2.1.113	NA
3	0.060	2zxqA	0.393	6.29	0.058	0.659	3.2.1.97	175,177
4	0.060	1aorB	0.389	6.72	0.058	0.695	1.2.7.5	295
5	0.060	1br2A	0.354	6.40	0.037	0.603	3.6.1.32	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	2zblA	0.322	6.71	0.038	0.551	0.17	BMA	complex1.pdb.gz	177,178,190,235
2	0.01	1kktA	0.408	6.07	0.055	0.656	0.25	UUU	complex2.pdb.gz	190,231,235,238,242
3	0.01	2ih8A	0.412	6.33	0.033	0.692	0.18	UUU	complex3.pdb.gz	234,238,239
4	0.01	3fu7B	0.401	5.92	0.063	0.629	0.18	UUU	complex4.pdb.gz	181,183,228,234
5	0.01	2zblE	0.404	5.87	0.076	0.633	0.20	BMA	complex5.pdb.gz	174,194,223,224,234
6	0.01	1gw0B	0.394	6.50	0.048	0.695	0.14	UUU	complex6.pdb.gz	181,183,184,188
7	0.01	3ppsD	0.408	6.52	0.032	0.702	0.22	UUU	complex7.pdb.gz	178,179,234,295,301
8	0.01	2ih9B	0.404	6.60	0.044	0.705	0.16	UUU	complex8.pdb.gz	234,236,237
9	0.01	3fu7A	0.405	6.63	0.056	0.705	0.13	UUU	complex9.pdb.gz	176,177,183
10	0.01	1k72A	0.370	6.40	0.044	0.629	0.34	CBI	complex10.pdb.gz	196,224,235

	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.