D-I-TASSER Q8TEW0-D4

D-I-TASSER results for Q8TEW0-D4

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

Input Sequence in FASTA format

>Q8TEW0 (206 residues)
HDRIQRLRQEFQQAKQDEDVEDRRRTYSFEQPWPNARPATQSGRHSVSVEVQMQRQRQEE
RESSQQAQRQYSSLPRQSRKNASSVSQDSWEQNYSPGEGFQSAKENPRYSSYQGSRNGYL
GGHGFNARVMLETQELLRQEQRRKEQQMKKQPPSEGPSNYDSYKKVQDPSYAPPKGPFRQ
DVPPSPSQVARLNRLQTPEKGRPFYS

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 \| \| \| \| \| \| \| \| \| \| HDRIQRLRQEFQQAKQDEDVEDRRRTYSFEQPWPNARPATQSGRHSVSVEVQMQRQRQEERESSQQAQRQYSSLPRQSRKNASSVSQDSWEQNYSPGEGFQSAKENPRYSSYQGSRNGYLGGHGFNARVMLETQELLRQEQRRKEQQMKKQPPSEGPSNYDSYKKVQDPSYAPPKGPFRQDVPPSPSQVARLNRLQTPEKGRPFYS
Prediction	CHHHHHHHHHHHHHHHHHCHHHCCCCCCCCCCCCCCCCCCCCCCCCSSHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHCHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Confidence	65899999999999762122311367534556688999887765411124455556666677765688988616777888988898885334789942245533589877666776788888877631000010111233211222356899877877788866689977889999877889989842234544466556775779
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 \| \| \| \| \| \| \| \| \| \| HDRIQRLRQEFQQAKQDEDVEDRRRTYSFEQPWPNARPATQSGRHSVSVEVQMQRQRQEERESSQQAQRQYSSLPRQSRKNASSVSQDSWEQNYSPGEGFQSAKENPRYSSYQGSRNGYLGGHGFNARVMLETQELLRQEQRRKEQQMKKQPPSEGPSNYDSYKKVQDPSYAPPKGPFRQDVPPSPSQVARLNRLQTPEKGRPFYS
Prediction	87425512642451456644754544372645137554665434341434243545456445415504531441354355545734444244433446424455634424434434643244442424222534522455554465644642474445534427425526245452324572344354344144244564444238
	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                 180                 200

                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CHHHHHHHHHHHHHHHHHCHHHCCCCCCCCCCCCCCCCCCCCCCCCSSHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHCHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
HDRIQRLRQEFQQAKQDEDVEDRRRTYSFEQPWPNARPATQSGRHSVSVEVQMQRQRQEERESSQQAQRQYSSLPRQSRKNASSVSQDSWEQNYSPGEGFQSAKENPRYSSYQGSRNGYLGGHGFNARVMLETQELLRQEQRRKEQQMKKQPPSEGPSNYDSYKKVQDPSYAPPKGPFRQDVPPSPSQVARLNRLQTPEKGRPFYS

5w0bA

0.08

3.01

0.46

CEthreader

TIIEDQAREHIRQNLESFIRQDFPGTKLSLFGSSKNGFGFKQSDLAVCMTIN-GLETAEGLDCVRTIEELARVL----------------RKHSGLRNILPITTAKVPIVKFFHLRSGLEVDISLYNTLALHNTRLLSAYSAIDPRVKYLCYTMKVFTKMCDIGDASRGSLSSFLQQRNPPVIPVLQEICGKNTESVGQLWLGLLR

3ugmA

0.08

3.23

0.55

EigenThreader

TPDQVVAIASVVAIASNGGSNGGKQALETVQRLLPVLCQAHGLTPDQVVAIASHDGGKQALETVQRLLPVLCQTHGPVLCQAHGLTPDQVVAIASNGGGVAIASNGGGKQALETVQRLLIASNIGGKQALETVQRLLPVLCQAHQVVAIASHDGQEQVVAIASNNGQAHGLTPDQVVAIASNGGGKQALETVQRLLIASNIGGKQA

3cnfB

0.10

0.09

3.45

0.49

FFAS-3D

--LTLRFLGTLTRSLKMQNAQIRRIRPDIDIEAFRWSRYDELQLRRLSVGLRL-ITNPRIARRFNGVRIMYLTDPDFVPDVPEGYVAVQYAHRLFSSSLANKRNRVTYTHPPTGMAYPSPTGRPHVHMTINERADILDIEYTAEVMTPSEGYTQHVDAESIMTAPKGKLFPEASGEDMRLIYPDRPR------EMDTSRNGDLLYS

5voxO

0.11

4.01

0.88

SPARKS-K

ILISLPQNAQPVTAPGSKTDSWFNETLAFVSDFKIPEFKIGSLDTLIVESEELSKVDNQIGASIGKIIEILQGLNETSTNYRTLPINNMPVPEYLENFQWQTRKFKLDKSIKDLITLISNESSQLDADVRATYANYNSAKTNLAAAERKKTGDLSVRSLHDIVKPEDFVLNSEHLTTVLVAVPKSLKSYETLSKNVVPASASVIAE

1gqeA

0.16

0.07

2.43

0.46

CNFpred

NNRIQDLTERSDVLRGYLDYDAKKE-------------------RLEEVNAELEQPDVNEPERAQALGKERSSLE-------------------------------AVVDTLDQ-----------MKQGLEDVSGLLELAVEADDEETFNEAVAELD-------------------------------------------------

6zymA

0.05

0.04

1.79

0.67

DEthreader

-----------L--AVMHDILDMM-PE-G-----------------------KQNKARTILQHLSEAWRCWAIPLLKAEQERQNYDGPY-ITAEEAVAVYTTTVHWLESR-RFSP-IPFPPYYEADRRLFPPWIKPADTEPPPLLFLTYFRLYRYNYDMIQGVEGILEFKYNLHSAYGNWFPGS---KPLIQQAMAK---------

6n8eA1

0.10

3.62

0.84

MapAlign

-THWINVVVAAFGAFVGRATSRRDITIGVPMMNRLGGVAAPCTTANVLPLSLDVRPGARAEALVEAVDTGLAGMRRHQRYRAEDIRRDCHLIGEGRRLTGPQINADDVSLMIQRGDMADALTIVGMANPLYPHELARWIERFVAFTTAFVADPSCPVGRLDAYLPGDGVVEPPRDALDERIVELWREQCGDVAIGIDDNFFDVGGD

6etxG

0.10

3.60

0.86

MUSTER

PAEMANLMLQGLLARWLALFLSLKASYRLHQLRSWGAPEGESHQRYLRNKDFLLGVNFPLSFNLCSCPLLKSLVFSSHCKAVSGYSDQVVHQRRSATSSLRRCLLTELPSFLCVASPRVTAVPLDSYCNDRSAEYERRVLKEGGSLAAKQCLLNGAPELAADWLNRRSQFFPEPAGGLW----SIRPQNGWSFIRIPGKESLITDS

5j9qG

0.15

0.10

3.44

0.54

HHsearch

----------------------------------------------ISVKQHLKIYLPN------DLKH--DYIP-----TPDASTWNEYDKFYT--GSFQETTSYIKFSATVCCGTNYNMLNEQVNKDILTEFEIL---CSSFEHAIHERQPFLDPESFEELKPTLIHEINSHKTHFIFDPVPLIQLIEKFERKIE-VNGYEIFP

1bugA

0.07

2.94

0.46

CEthreader

KDAIAKFAKAVELMKALPADDPRNFYQQALVHCAYCNGGYDQVEIQVHNSWLFFPFHRWYLYFYERILGKLIGDPVVVDLGRITDNLALMYKQMVTNASIETSPHIPIHRWVGDPRNTNNEDMGNFYSAGRDIAFYCHHSNVDRMWTIWQQLAR------DYTDSDWLNATFLFYDENGQAVKVRIGDSLDNQKMGYKYAKTPLPW

(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	0.445

(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	5x0mA2	0.47	5.76	0.020	0.801	model1_5x0mA2.pdb.gz
2	6uz0A	0.47	5.72	0.025	0.796	model1_6uz0A.pdb.gz
3	7dtdA	0.46	5.78	0.024	0.791	model1_7dtdA.pdb.gz
4	6xiwA	0.46	5.73	0.029	0.796	model1_6xiwA.pdb.gz
5	7c72A	0.45	5.18	0.050	0.723	model1_7c72A.pdb.gz
6	3jbrA	0.45	5.61	0.035	0.767	model1_3jbrA.pdb.gz
7	7jpkA	0.45	5.89	0.044	0.796	model1_7jpkA.pdb.gz
8	5aexA	0.44	5.49	0.024	0.767	model1_5aexA.pdb.gz
9	4a01A	0.44	5.78	0.054	0.772	model1_4a01A.pdb.gz
10	5aezA	0.44	5.52	0.074	0.757	model1_5aezA.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:0032266	1.00	phosphatidylinositol-3-phosphate binding
GO:0005547	1.00	phosphatidylinositol-3,4,5-trisphosphate binding
GO:0005546	1.00	phosphatidylinositol-4,5-bisphosphate binding
GO:0019899	0.65	enzyme 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:0051960	1.00	regulation of nervous system development
GO:0051649	1.00	establishment of localization in cell
GO:0051641	1.00	cellular localization
GO:0048523	1.00	negative regulation of cellular process
GO:0022011	1.00	myelination in peripheral nervous system
GO:0016043	1.00	cellular component organization
GO:0007163	1.00	establishment or maintenance of cell polarity
GO:0032502	0.66	developmental process
GO:0048518	0.65	positive regulation of biological process
GO:0044767	0.65	single-organism developmental process
GO:0080090	0.64	regulation of primary metabolic process
GO:0048869	0.64	cellular developmental process
GO:0048522	0.64	positive regulation of cellular process
GO:0031323	0.64	regulation of cellular metabolic process
GO:0060255	0.63	regulation of macromolecule metabolic process
GO:0009653	0.63	anatomical structure morphogenesis
GO:0031399	0.62	regulation of protein modification process
GO:0030030	0.62	cell projection organization
GO:0022607	0.62	cellular component assembly
GO:0019220	0.62	regulation of phosphate metabolic process
GO:0006810	0.62	transport
GO:0070727	0.61	cellular macromolecule localization
GO:0051962	0.61	positive regulation of nervous system development
GO:0046907	0.61	intracellular transport
GO:0044802	0.61	single-organism membrane organization
GO:0044765	0.61	single-organism transport
GO:0015031	0.61	protein transport
GO:0007043	0.61	cell-cell junction assembly
GO:0001933	0.61	negative regulation of protein phosphorylation
GO:0090162	0.60	establishment of epithelial cell polarity
GO:0070830	0.60	bicellular tight junction assembly
GO:0051128	0.60	regulation of cellular component organization
GO:0031643	0.60	positive regulation of myelination
GO:0010801	0.60	negative regulation of peptidyl-threonine phosphorylation
GO:0006996	0.60	organelle organization
GO:0006612	0.60	protein targeting to membrane
GO:1902589	0.59	single-organism organelle organization
GO:0051642	0.59	centrosome localization
GO:0045197	0.59	establishment or maintenance of epithelial cell apical/basal polarity
GO:0016477	0.59	cell migration

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	0.95	cell part
GO:0044424	0.84	intracellular part
GO:0030054	0.71	cell junction
GO:0016020	0.60	membrane
GO:0044444	0.53	cytoplasmic part
GO:0005923	0.52	bicellular tight junction
GO:0097458	0.51	neuron part
GO:0044463	0.50	cell projection part
GO:0005737	0.50	cytoplasm

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	2c6fA	0.391	5.73	0.043	0.670	3.4.15.1	NA
2	0.060	1r0lC	0.301	5.37	0.044	0.500	1.1.1.267	NA
3	0.060	1wd4A	0.388	5.82	0.074	0.689	3.2.1.55	NA
4	0.060	2sqcA	0.403	6.22	0.025	0.762	5.4.99.17	NA
5	0.060	1izjA	0.410	6.03	0.056	0.762	3.2.1.135 3.2.1.1	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, 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.