D-I-TASSER Q9H6Y5-D1

D-I-TASSER results for Q9H6Y5-D1

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

Input Sequence in FASTA format

>Q9H6Y5 (334 residues)
MEPRTGDAADPRGSRGGRGPSPLAGPSARQLLARLDARPLAARAAVDVAALVRRAGATLR
LRRKEAVSVLDSADIEVTDSRLPHATIVDHRPQHRWLETCNAPPQLIQGKARSAPKPSQA
SGHFSVELVRGYAGFGLTLGGGRDVAGDTPLAVRGLLKDGPAQRCGRLEVGDLVLHINGE
STQGLTHAQAVERIRAGGPQLHLVIRRPLETHPGKPRGVGEPRKGVVPSWPDRSPDPGGP
EVTGSRSSSTSLVQHPPSRTTLKKTRGSPEPSPEAAADGPTVSPPERRAEDPNDQIPGSP
GPWLVPSEERLSRALGVRGAAQLAQEMAAGRRRH

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MEPRTGDAADPRGSRGGRGPSPLAGPSARQLLARLDARPLAARAAVDVAALVRRAGATLRLRRKEAVSVLDSADIEVTDSRLPHATIVDHRPQHRWLETCNAPPQLIQGKARSAPKPSQASGHFSVELVRGYAGFGLTLGGGRDVAGDTPLAVRGLLKDGPAQRCGRLEVGDLVLHINGESTQGLTHAQAVERIRAGGPQLHLVIRRPLETHPGKPRGVGEPRKGVVPSWPDRSPDPGGPEVTGSRSSSTSLVQHPPSRTTLKKTRGSPEPSPEAAADGPTVSPPERRAEDPNDQIPGSPGPWLVPSEERLSRALGVRGAAQLAQEMAAGRRRH
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSCCCCCCCCCHHHHHHHHHHCCCSSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSSSCCCCCCSSSSCCCCCCCCCCSSSSSSCCCCHHHHHCCCCCCCSSSSSCCSSCCCCCHHHHHHHHHHCCCSSSSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCHHHHCSSSCCCCCCC
Confidence	9988888889888889888753137987838999879686435799999999964986999963432235677753333323443346777764333456888421345556677776777369999998899775799703568999866999977999578619999993999999987899989999999996799599999815888877776677776566677777788989987777767788877888876666777888888743344566677644556785335899999877887466544424552112101332675579
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MEPRTGDAADPRGSRGGRGPSPLAGPSARQLLARLDARPLAARAAVDVAALVRRAGATLRLRRKEAVSVLDSADIEVTDSRLPHATIVDHRPQHRWLETCNAPPQLIQGKARSAPKPSQASGHFSVELVRGYAGFGLTLGGGRDVAGDTPLAVRGLLKDGPAQRCGRLEVGDLVLHINGESTQGLTHAQAVERIRAGGPQLHLVIRRPLETHPGKPRGVGEPRKGVVPSWPDRSPDPGGPEVTGSRSSSTSLVQHPPSRTTLKKTRGSPEPSPEAAADGPTVSPPERRAEDPNDQIPGSPGPWLVPSEERLSRALGVRGAAQLAQEMAAGRRRH
Prediction	8544444444354463241324353463101004027441472305400410471634040335542441544635334442433422434434443654544453355544445545544421202032375100000201333656300101302661403423403330200101442045231630141047156302010214374445546445434543344445444544435445454444544543464443464554444455434543444345354754654327333343334462135324363134123412535568
	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                 220                 240                 260                 280                 300                 320

                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSCCCCCCCCCHHHHHHHHHHCCCSSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSSSCCCCCCSSSSCCCCCCCCCCSSSSSSCCCCHHHHHCCCCCCCSSSSSCCSSCCCCCHHHHHHHHHHCCCSSSSSSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCHHHHCSSSCCCCCCC
MEPRTGDAADPRGSRGGRGPSPLAGPSARQLLARLDARPLAARAAVDVAALVRRAGATLRLRRKEAVSVLDSADIEVTDSRLPHATIVDHRPQHRWLETCNAPPQLIQGKARSAPKPSQASGHFSVELVRGYAGFGLTLGGGRDVAGDTPLAVRGLLKDGPAQRCGRLEVGDLVLHINGESTQGLTHAQAVERIRAGGPQLHLVIRRPLETHPGKPRGVGEPRKGVVPSWPDRSPDPGGPEVTGSRSSSTSLVQHPPSRTTLKKTRGSPEPSPEAAADGPTVSPPERRAEDPNDQIPGSPGPWLVPSEERLSRALGVRGAAQLAQEMAAGRRRH

2xkxA

0.10

3.62

1.15

EigenThreader

KGLGVGNQHIPGDNSEGGAAHKDGRLQIGDKILAVNSVGLEDVMHEDAVAALKNTYDVVYLKVAKPSNAYLSDSYAPHLDNEISHSSYLGTDYPTAMTPTSPRRYSPVAKDLLGEEDIPREPRRIVIHRG-STGLGFNIV---GGEDGEGIFISFILAGGPADLSGELRKGDQILSVNGVDLRNASHEQAAIALKNAGQTVTIIAQYKPEEYSRFEAKIHDLREQLMNSSLGSGTASLRSNPKRGFYIRALFDYDKTKDCGFLSQALSFRFGD-VLHVIDAGDEEWWQARRVHSDSETDDIGFIPSKRRVERREWSRLK------------AKD

2xkxA

0.12

4.11

1.59

SPARKS-K

VMEIKLIKGLGFSIAGGVGGAADGRLQIGDKILAVNSVGLEDVMHEDAVAALKNTYDVVYLKVAKPSN--AYLSDSYAPPDITTSYSQHLDNEISHSYLGTDYPTAMTPTSPRRYSPVAKDLLGEIVIHRGSTGLGFNIVGGE---DGEGIFISFILAGGPADLSGELRKGDQILSVNGVDLRNASHEQAAIALKNAGQTVTIIAQYKPEHDLREQLMNSSLGSGTASKTKDCGFLSQALSFRFGIDAGDEEWRRVHSDSETDDIERREWSRLKAKDWGSSSGSQGREDSVLTQMEVHYARPIIIL---------G-PTKDRANDDLLSEFPDK

2qt5A

0.21

0.10

3.24

1.34

FFAS-3D

-----GGIDKDGKPRVSGGIAARSDLDVGDYIKAVNGINLAKFRHDEIISLLKNVGERVVLEVEY------------------------------------------ELPPVSIQGSSVMFRTVEVTLHKEGNTFGFVIRGGAHDDRNKPVVITCVRPGGPADREGTIKPGDRLLSVDGIRLLGTTHAEAMSILKQCGQEATLLIEYDVS----------------------------------------------------------------------------------------------------------------------------

2xkxA

0.16

0.14

4.80

1.66

HHsearch

LERGKGPKGLGFSIAGGIGGAAKGRLQIGDKILAVNSVGLEDVMHEDAVAALKNTYDVVYLKVAKPSNAYLSDSAPPDITTSYSQHLDNEISHSSYLGYPTAMTPTPRYSPVAKGEEDIPREPRRIVIHRGSTGLGFNIVGGEDGEG---IFISFILAGGPADLSGELRKGDQILSVNGVDLRNASHEQAAIALKNAGQTVTIIAQYKPEEYSRKIHDLR---EQL-------MNSSLGSGTASLRSNPKRGFYIALFDYD-KTK-DCGFLS-QAFRFGDVLH---V--IDAG-----DEEWWQARRVHSDTDDIGFIPSKRRVERREWSRLKA

2qt5A

0.21

0.09

2.96

2.44

CNFpred

------------------GGIAADQLDVGDYIKAVNGINLAKFRHDEIISLLKNVGERVVLEVEYELPPVSIQGSSVMFR------------------------------------------TVEVTLHKEGNTFGFVIRGGAHDDKSRPVVITCVRPGGPADREGTIKPGDRLLSVDGIRLLGTTHAEAMSILKQCGQEATLLIEYDVSV---------------------------------------------------------------------------------------------------------------------------

2xkxA

0.19

0.15

4.72

1.46

HHsearch

EITLERGN-SGLGFAGGTGGAADGRLRVNDSILFVNEVDVREVTHSAAVEALKEAGSIVRLYVMRRKPP--------------------------------------------------AEKVMEIKLIKGPKGLGFSIAGGVGIPGDNSIYVTKIIEGGAAHKDGRLQIGDKILAVNSVGLEDVMHEDAVAALKNTYDVVYLKVAKPSNAYLSDS---Y--------APPDITTSYS-QHLDNEIS-------HSSYLGT-DY---PTAMTPTSPRRYSPV-AKDL-LGEE----DIPREPRRIVIH-RGSTGLGFNIVEDLAGGPADGELRK

2xkxA1

0.19

0.10

3.09

1.29

FFAS-3D

LERGNSGLGPHIGDDPSGGAAAQDGLRVNDSILFVNEVDVREVTHSAAVEALKEAGSIVRLYVMRR--------------------------------------------------KPPAEKVMEIKLIKGPKGLGFSIAGGVGIPGDNSIYVTKIIEGGAAHKDGRLQIGDKILAVNSVGLEDVMHEDAVAALKNTYDVVYLKVAKPSNAYLSDSYA--------------------------------------------------------------------------------------------------------------------

2qt5A

0.19

0.10

3.09

1.49

SPARKS-K

VVELMKKEGTTLGVSGGIDKDGKDQLDVGDYIKAVNGINLAKFRHDEIISLLKNVGERVVLEVEYEL--------------------------------------------PPVSIQGSSVMTVEVTLHKEGNTFGFVIRGGAHRNKSRPVVITCVRPGGPADREGTIKPGDRLLSVDGIRLLGTTHAEAMSILKQCGQEATLLIEYDVSV---------------------------------------------------------------------------------------------------------------------------

2xkxA

0.13

0.11

3.76

0.43

CEthreader

SIAGGTDNPHIGDDPSIFITAQDGRLRVNDSILFVNEVDVREVTHSAAVEALKEAGSIVRLYVMRRKPP--------------------------------------------------AEKVMEIKLIKGPKGLGFSIAGGVGNPGDNSIYVTKIIEGGAAHKDGRLQIGDKILAVNSVGLEDVMHEDAVAALKNTYDVVYLKVAKPSNAYLSDSYAPPDITTSYSQHLDNEISHSSYLGTDYPTAMTPTSPRRYSPVAKDLLGEEDIPREPRRIVIHRGSTGLGFNIVGGEDGEGIFISFILAGGPADLSGELRKGDQILSVNGVDLRNASH

3zrtA

0.20

0.08

2.60

2.24

CNFpred

--------------------AAAGRLRVNDSILFVNEVDVREVTHSAAVEALKEAGSIVRLYVMRRKPPA--------------------------------------------------EKVMEIKLIKGPKGLGFSIAGGQHIPGDNSIYVTKIIEGGAAHKDGRLQIGDKILAVNSVGLEDVMHEDAVAALKNTYDVVYLKVAKP------------------------------------------------------------------------------------------------------------------------------

(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	0.5492

(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	2xkxA	0.76	3.85	0.118	0.916	model1_2xkxA.pdb.gz
2	1g8kA	0.39	6.62	0.035	0.650	model1_1g8kA.pdb.gz
3	4k35A	0.39	6.30	0.037	0.638	model1_4k35A.pdb.gz
4	2e7zA	0.36	6.61	0.039	0.620	model1_2e7zA.pdb.gz
5	1p1dA	0.29	4.08	0.189	0.362	model1_1p1dA.pdb.gz
6	1b8qA	0.27	3.24	0.185	0.323	model1_1b8qA.pdb.gz
7	1ueqA	0.27	2.31	0.240	0.293	model1_1ueqA.pdb.gz
8	1i16A	0.26	2.83	0.238	0.299	model1_1i16A.pdb.gz
9	1n7eA	0.26	1.56	0.263	0.275	model1_1n7eA.pdb.gz
10	1qavB	0.26	2.63	0.202	0.290	model1_1qavB.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:0003824	0.76	catalytic activity
GO:0016740	0.69	transferase activity
GO:0016301	0.66	kinase activity
GO:0005102	0.66	receptor binding
GO:0035254	0.58	glutamate receptor binding
GO:0019899	0.58	enzyme binding
GO:0019201	0.58	nucleotide kinase activity
GO:0016776	0.58	phosphotransferase activity, phosphate group as acceptor
GO:0019900	0.52	kinase 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	0.92	cellular process
GO:0044699	0.87	single-organism process
GO:0065007	0.83	biological regulation
GO:0044763	0.81	single-organism cellular process
GO:0050789	0.77	regulation of biological process
GO:0050794	0.75	regulation of cellular process
GO:0016043	0.73	cellular component organization
GO:0051179	0.72	localization
GO:0071704	0.69	organic substance metabolic process
GO:0044238	0.68	primary metabolic process
GO:0044237	0.68	cellular metabolic process
GO:0008104	0.68	protein localization
GO:0007163	0.64	establishment or maintenance of cell polarity
GO:0035088	0.62	establishment or maintenance of apical/basal cell polarity
GO:0032502	0.59	developmental process
GO:0006796	0.58	phosphate-containing compound metabolic process
GO:0035418	0.56	protein localization to synapse
GO:0031503	0.56	protein complex localization
GO:0007165	0.56	signal transduction
GO:0051234	0.55	establishment of localization
GO:0051641	0.54	cellular localization
GO:0048856	0.54	anatomical structure development
GO:0006810	0.53	transport
GO:0044710	0.52	single-organism metabolic process
GO:0006139	0.52	nucleobase-containing compound metabolic process
GO:0044767	0.50	single-organism developmental process
GO:0006163	0.50	purine nucleotide 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:0044464	1.00	cell part
GO:0044424	0.99	intracellular part
GO:0016020	0.95	membrane
GO:0043226	0.93	organelle
GO:0005886	0.91	plasma membrane
GO:0005737	0.87	cytoplasm
GO:0043229	0.86	intracellular organelle
GO:0044444	0.79	cytoplasmic part
GO:0044425	0.76	membrane part
GO:0044459	0.75	plasma membrane part
GO:0043232	0.74	intracellular non-membrane-bounded organelle
GO:0043227	0.71	membrane-bounded organelle
GO:0097458	0.68	neuron part
GO:0044422	0.67	organelle part
GO:0030054	0.67	cell junction
GO:0098590	0.65	plasma membrane region
GO:0043234	0.63	protein complex
GO:0045202	0.60	synapse
GO:0044456	0.60	synapse part
GO:0043231	0.59	intracellular membrane-bounded organelle
GO:0044446	0.58	intracellular organelle part
GO:0014069	0.55	postsynaptic density
GO:0097060	0.51	synaptic membrane
GO:0045211	0.50	postsynaptic membrane

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	1llwA	0.375	6.99	0.062	0.668	1.4.7.1	NA
2	0.060	1g8kE	0.393	6.77	0.029	0.662	1.20.98.1	NA
3	0.060	2aw5B	0.354	6.58	0.046	0.602	1.1.1.40	NA
4	0.060	1qbaA	0.373	7.20	0.056	0.695	3.2.1.52	158
5	0.060	1ofdA	0.374	6.74	0.065	0.644	1.4.7.1	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:

Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
1	0.33	1rgrA	0.245	2.41	0.289	0.270	1.25	III	complex1.pdb.gz	135,136,137,138,139,140,154,157,187,191,194
2	0.14	2awuB	0.247	1.94	0.264	0.261	1.26	III	complex2.pdb.gz	134,135,136,137,138,157,191
3	0.10	2i0iA	0.236	1.21	0.284	0.242	1.46	III	complex3.pdb.gz	131,133,159,160,161,164
4	0.09	1pdr1	0.271	1.94	0.250	0.287	1.50	III	complex4.pdb.gz	131,132,133,198,200
5	0.03	1pdr2	0.271	1.94	0.250	0.287	1.55	III	complex5.pdb.gz	128,129,159,161,164
6	0.03	1pdr0	0.271	1.94	0.250	0.287	1.28	III	complex6.pdb.gz	138,139,140,143,154,155,157,158,187,191
7	0.03	2x7z0	0.256	2.08	0.240	0.273	1.11	III	complex7.pdb.gz	122,123,124,125,126,127,165,167

	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.