D-I-TASSER Q8WTX7-D1

D-I-TASSER results for Q8WTX7-D1

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

Input Sequence in FASTA format

>Q8WTX7 (168 residues)
MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGF
KELPPSEFLQVAEATWLVLNVSSHSGAAVQAAGVTKIARSVIAPLAEHHVSVLMLSTYQT
DFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVTRDDSSNGFPRTQH

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 \| \| \| \| \| \| \| \| MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGFKELPPSEFLQVAEATWLVLNVSSHSGAAVQAAGVTKIARSVIAPLAEHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVTRDDSSNGFPRTQH
Prediction	CSSSSCCCSSSSSSSCCCCCCCCCCCHHHHCCCCCCCCCCSSSSSSCCCCSSSSSCHHHCCCCCCCCCSSSSCCCSSSSSSSCCCCCCCCCCCHHHHHHHHHHHHHHHCCCSSSSSCCCCCSSSSCHHHHHHHHHHHHHCCCSSSSCCCCSCCCCCCCCCCCCCCCCC
Confidence	902544881699997510076432313443147766788689999738927999542543113554534760697489999706775444333257899998999980997899945767527751235999999999819099943895134578887887158899
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 \| \| \| \| \| \| \| \| MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGFKELPPSEFLQVAEATWLVLNVSSHSGAAVQAAGVTKIARSVIAPLAEHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVTRDDSSNGFPRTQH
Prediction	761531754020040357513421322241212467443300000424641101044731562465632432663020030313343344334022103400420364602000000230011104575164015103741220434655414164463443344578
	Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Contact, Hydrogen and Distance Map Used in D-I-TASSER simulation

Contact Map

Distance Map

Hydrogen bond networks

D-I-TASSER simulation is guided by the consensus contact map (left figure), distance map (middle figure) and Hydrogen bond network (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.

Top 10 threading templates used by D-I-TASSER

Rank

PDB
hit

ID1

ID2

Cov

Norm.
Zscore

Download
alignment

                  20                  40                  60                  80                 100                 120                 140                 160

                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CSSSSCCCSSSSSSSCCCCCCCCCCCHHHHCCCCCCCCCCSSSSSSCCCCSSSSSCHHHCCCCCCCCCSSSSCCCSSSSSSSCCCCCCCCCCCHHHHHHHHHHHHHHHCCCSSSSSCCCCCSSSSCHHHHHHHHHHHHHCCCSSSSCCCCSCCCCCCCCCCCCCCCCC
MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGFKELPPSEFLQVAEATWLVLNVSSHSGAAVQAAGVTKIARSVIAPLAEHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVTRDDSSNGFPRTQH

3l76A2

0.13

0.11

3.73

1.17

DEthreader

VGVEYDADQAKVALLRVPDRPGVASKLFRDIAQQ-Q-V-DIDLIIQSIHNDIAFTVKLAEAVTSAPEAEIIVEKGIAKIAIA-GAGMIG--RP--GIAAKMFKTLADVGVNIEMISTSEKVSCVIDQRDADRAIAALSNAFGVTLSPP--------------------

5i2cA

0.91

0.88

24.76

1.62

SPARKS-K

MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGFKELPPSEFLQVAEATWLVLNVS-----SHQAAGVTKIARSVIAPLAEHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVGPSPTVHPIQSPQN

5i2cA

0.94

0.83

23.22

1.03

MapAlign

MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGFKELPPSEFLQVAEATWLVLNVSS------HQAAGVTKIASVIAPLAEHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPV--------------

5i2cA

0.93

0.90

25.24

1.02

CEthreader

MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGFKELPPSEFLQVAEATWLVLNVSSHQAA-----GVTKIARSVIAPLAEHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVTRHGPSPTVHPIQS

5i2cA

0.92

0.89

25.08

1.38

MUSTER

MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGFKELPPSEFLQVAEATWLVLNVSSHQAAGV-----TKIARSVIAPLAEHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVTRHGPSPTVHPPQN

5i2cA

0.94

0.89

25.05

2.71

HHsearch

MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGFKELPPSEFLQVAEATWLVLNVS-SHQA----AGVTKIARSVIAPLAEHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVTRHGP----SPTVH

5i2cA

0.96

0.89

25.04

1.74

FFAS-3D

MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGFKELPPSEFLQVAEATWLVLNVSSHQAA-----GVTKIARSVIAPLAEHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVTRHGPSP-------

5i2cA

0.80

0.73

20.68

1.23

EigenThreader

MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGFKELPPSEFLQVAEATWLVLNVS---------SHQAAGVTKIAAPLAEHHVSVLMLST--YQTDFILEQDLSVVIHTLA---QEYREVGGEPVPVTRHGPSPTVHPI-Q

5gv2A

1.00

0.94

26.33

1.74

CNFpred

MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPEDYTLMVDEEGFKELPPSEFLQVAEATWLVLNVSSHSGAAVQAAGVTKIARSVIAPLAEHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVTRDD----------

3l76A

0.13

0.11

3.73

1.17

DEthreader

VGVEYDADQAKVALLRVPDRPGVASKLFRDIAQQ-Q-V-DIDLIIQSIHNDIAFTVKLAEAVTSAPEAEIIVEKGIAKIAIA-GAGMIG--RP--GIAAKMFKTLADVGVNIEMISTSEKVSCVIDQRDADRAIAALSNAFGVTLSPP--------------------

(a)	ID1 is the number of template residues identical to query divided by number of aligned residues.
(b)	ID2 is the number of template residues identical to query divided by query sequence length.
(c)	Cov is equal the number of aligned template residues divided by query sequence length.
(d)	Norm. Zscore is the normalized Z-score of the threading alignments. A Normalized Z-score >1 means a good alignment and is highlighted in bold.
(e)	Download alignment lists the threading program used to identify the template, and provide the 3D structure of aligned regions of threading templates (threading[1-10].pdb.gz).
(f)	Template residues identical to query sequence are highlighted in color.

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.8076

(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	5i2cA	0.79	1.95	0.870	0.893	model1_5i2cA.pdb.gz
2	3l76A2	0.68	2.86	0.087	0.851	model1_3l76A2.pdb.gz
3	2dtjA	0.66	3.02	0.090	0.833	model1_2dtjA.pdb.gz
4	2cdqA	0.64	3.07	0.077	0.792	model1_2cdqA.pdb.gz
5	2j0wA2	0.62	2.61	0.124	0.768	model1_2j0wA2.pdb.gz
6	3luyA	0.42	4.68	0.058	0.679	model1_3luyA.pdb.gz
7	2dt9A1	0.38	2.82	0.115	0.458	model1_2dt9A1.pdb.gz
8	2re1B2	0.37	2.06	0.130	0.411	model1_2re1B2.pdb.gz
9	3c1mC3	0.36	2.59	0.243	0.417	model1_3c1mC3.pdb.gz
10	3aawA2	0.34	2.51	0.132	0.405	model1_3aawA2.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:0043167	0.87	ion binding
GO:0034618	0.74	arginine 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:0050794	1.00	regulation of cellular process
GO:1904262	0.85	negative regulation of TORC1 signaling
GO:0009987	0.79	cellular process
GO:0044699	0.57	single-organism process
GO:1903577	0.56	cellular response to L-arginine
GO:0044763	0.52	single-organism cellular 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:0044464	1.00	cell part
GO:0044424	0.93	intracellular part
GO:0044444	0.90	cytoplasmic part
GO:0032991	0.87	macromolecular complex
GO:0005829	0.87	cytosol
GO:0043234	0.86	protein complex
GO:0061700	0.85	GATOR2 complex

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	0.085	2dtjA	0.659	3.02	0.090	0.833	2.7.2.4	NA
2	0.085	2re1B	0.628	2.86	0.114	0.786	2.7.2.4	NA
3	0.071	2dt9B	0.632	2.97	0.081	0.804	2.7.2.4	NA
4	0.060	1ahuA	0.477	4.55	0.067	0.714	1.1.3.38 1.1.3.13	NA
5	0.060	1msvB	0.487	5.19	0.116	0.857	4.1.1.50	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:

No Binding sites was predicted

Click to view	Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues

	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.