D-I-TASSER Q7L5Y6

D-I-TASSER results for Q7L5Y6

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

Summary of the Protein

Uniprot ID: Q7L5Y6
Protein Name: DET1 homolog
Gene Name: DET1

Input Sequence in FASTA format

>Q7L5Y6 (550 residues)
MDHHVSTIKPRRIQNQNVIHRLERRRISSGKAGTHWHQVRVFHQNVFPNFTVVNVEKPPC
FLRKFSPDGRYFIAFSSDQTSLEIYEYQGCQAAEDLLQGYEGEILSNGNDQRSVNIRGRL
FERFFVLLHITNVAANGEHLNRECSLFTDDCRCVIVGSAAYLPDEPHPPFFEVYRNSESV
TPNPRSPLEDYSLHIIDLHTGRLCDTRTFKCDKVVLSHNQGLYLYKNILAILSVQQQTIH
VFQVTPEGTFIDVRTIGRFCYEDDLLTVSAVFPEVQRDSQTGMANPFRDPFINSLKHRLL
VYLWRRAEQDGSAMAKRRFFQYFDQLRQLRMWKMQLLDENHLFIKYTSEDVVTLRVTDPS
QASFFVVYNMVTTEVIAVFENTSDELLELFENFCDLFRNATLHSEVQFPCSASSNNFARQ
IQRRFKDTIINAKYGGHTEAVRRLLGQLPISAQSYSGSPYLDLSLFSYDDKWVSVMERPK
TCGDHPIRFYARDSGLLKFEIQAGLLGRPINHTVRRLVAFTFHPFEPFAISVQRTNAEYV
VNFHMRHCCT

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	Q7L5Y6-D1	1-52,454-550	149		MDHHVSTIKPRRIQNQNVIHRLERRRISSGKAGTHWHQVRVFHQNVFPNFTVSYSGSPYLDLSLFSYDDKWVSVMERPKTCGDHPIRFYARDSGLLKFEIQAGLLGRPINHTVRRLVAFTFHPFEPFAISVQRTNAEYVVNFHMRHCCT
2	Q7L5Y6-D2	53-145	93		VNVEKPPCFLRKFSPDGRYFIAFSSDQTSLEIYEYQGCQAAEDLLQGYEGEILSNGNDQRSVNIRGRLFERFFVLLHITNVAANGEHLNRECS
3	Q7L5Y6-D3	146-260	115		LFTDDCRCVIVGSAAYLPDEPHPPFFEVYRNSESVTPNPRSPLEDYSLHIIDLHTGRLCDTRTFKCDKVVLSHNQGLYLYKNILAILSVQQQTIHVFQVTPEGTFIDVRTIGRFC
4	Q7L5Y6-D4	261-383	123		YEDDLLTVSAVFPEVQRDSQTGMANPFRDPFINSLKHRLLVYLWRRAEQDGSAMAKRRFFQYFDQLRQLRMWKMQLLDENHLFIKYTSEDVVTLRVTDPSQASFFVVYNMVTTEVIAVFENTS
5	Q7L5Y6-D5	384-453	70		DELLELFENFCDLFRNATLHSEVQFPCSASSNNFARQIQRRFKDTIINAKYGGHTEAVRRLLGQLPISAQ

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.48

(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	1flgA	0.47	6.20	0.079	0.673	model1_1flgA.pdb.gz
2	4maeA	0.47	6.05	0.071	0.649	model1_4maeA.pdb.gz
3	1yiqA1	0.47	6.38	0.087	0.673	model1_1yiqA1.pdb.gz
4	6oc5A	0.47	6.33	0.063	0.660	model1_6oc5A.pdb.gz
5	1kv9A	0.47	6.38	0.085	0.671	model1_1kv9A.pdb.gz
6	6zcvA	0.47	6.36	0.068	0.667	model1_6zcvA.pdb.gz
7	2d0vA	0.47	6.23	0.067	0.656	model1_2d0vA.pdb.gz
8	4aahA	0.46	6.21	0.048	0.649	model1_4aahA.pdb.gz
9	6damA	0.46	6.46	0.072	0.660	model1_6damA.pdb.gz
10	4cvbA	0.46	6.17	0.074	0.647	model1_4cvbA.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:0044877	0.56	macromolecular complex binding
GO:0003682	0.55	chromatin binding
GO:0043169	0.51	cation 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	0.98	cellular process
GO:0044699	0.84	single-organism process
GO:0065007	0.79	biological regulation
GO:0050789	0.79	regulation of biological process
GO:0044763	0.74	single-organism cellular process
GO:0060255	0.73	regulation of macromolecule metabolic process
GO:0048856	0.72	anatomical structure development
GO:0044767	0.72	single-organism developmental process
GO:0048869	0.71	cellular developmental process
GO:0044702	0.71	single organism reproductive process
GO:0010468	0.71	regulation of gene expression
GO:0003006	0.71	developmental process involved in reproduction
GO:0050794	0.67	regulation of cellular process
GO:0008152	0.62	metabolic process
GO:0071704	0.61	organic substance metabolic process
GO:0080090	0.58	regulation of primary metabolic process
GO:0048519	0.58	negative regulation of biological process
GO:0031323	0.58	regulation of cellular metabolic process
GO:0048523	0.57	negative regulation of cellular process
GO:0006355	0.55	regulation of transcription, DNA-templated
GO:0031324	0.54	negative regulation of cellular metabolic process
GO:0010605	0.54	negative regulation of macromolecule metabolic process
GO:0006357	0.54	regulation of transcription from RNA polymerase II promoter
GO:0048477	0.53	oogenesis
GO:0000122	0.53	negative regulation of transcription from RNA polymerase II promoter

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:0043229	0.97	intracellular organelle
GO:0005634	0.96	nucleus
GO:0016020	0.87	membrane
GO:0043232	0.56	intracellular non-membrane-bounded organelle
GO:0005700	0.53	polytene chromosome
GO:0042597	0.52	periplasmic space

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	1z4zA	0.391	6.34	0.039	0.556	3.2.1.18	NA
2	0.060	2vdcA	0.383	7.80	0.048	0.640	1.4.1.13	NA
3	0.060	1yr2A	0.379	5.78	0.068	0.509	3.4.21.26	484
4	0.060	2d5lA	0.386	5.85	0.084	0.520	3.4.14.-	NA
5	0.060	1fwxA	0.402	6.74	0.055	0.591	1.7.99.6	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	1lrwC	0.467	6.31	0.062	0.660	0.17	PQQ	complex1.pdb.gz	65,157,158,232
2	0.01	1flgB	0.448	6.04	0.054	0.622	0.13	PQQ	complex2.pdb.gz	147,156,157,158,159,223
3	0.01	4aahA	0.462	6.21	0.048	0.649	0.26	PQQ	complex3.pdb.gz	65,156,157,158,159,232,454
4	0.01	2d0vD	0.466	6.27	0.068	0.658	0.13	PQQ	complex4.pdb.gz	44,158,220,230
5	0.01	2vc2A	0.413	6.01	0.048	0.576	0.28	180	complex5.pdb.gz	19,20,69
6	0.01	1yiqA	0.467	6.38	0.087	0.673	0.18	PQQ	complex6.pdb.gz	65,157,158,232,454
7	0.01	2w68B	0.162	4.82	0.035	0.205	0.14	UUU	complex7.pdb.gz	40,89,90,93
8	0.01	1lrwA	0.468	6.30	0.065	0.660	0.14	PQQ	complex8.pdb.gz	63,157,159
9	0.01	1w0oA	0.428	6.91	0.062	0.647	0.12	SIA	complex9.pdb.gz	70,89,550

	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.