D-I-TASSER Q7Z4Q2-D1

D-I-TASSER results for Q7Z4Q2-D1

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

Input Sequence in FASTA format

>Q7Z4Q2 (286 residues)
MGKSRTKRFKRPQFSPTGDCQAEAAAAANGTGGEEDDGPAAELLEKLQHPSAEVRECACA
GLARLVQQRPALPGLARRDAVRRLGPLLLDPSLAVRETAAGALRNLSACGGFEVCDDMVT
KDIMTPLVALLKECSAGLDSNEMSLQEKKDQNRNSIENIANETVNVLWNICECSSRAVSI
FNKEGCLEIVLKYLSRFPTNVDLAISVAYCLQTVTEDNPELLKSFSATALNMLESALLSP
VSSMESLLLKTLVAGTIWNLKDIIPCKSQAEIINALLKILSEVLGM

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 \| \| \| \| \| \| \| \| \| \| \| \| \| \| MGKSRTKRFKRPQFSPTGDCQAEAAAAANGTGGEEDDGPAAELLEKLQHPSAEVRECACAGLARLVQQRPALPGLARRDAVRRLGPLLLDPSLAVRETAAGALRNLSACGGFEVCDDMVTKDIMTPLVALLKECSAGLDSNEMSLQEKKDQNRNSIENIANETVNVLWNICECSSRAVSIFNKEGCLEIVLKYLSRFPTNVDLAISVAYCLQTVTEDNPELLKSFSATALNMLESALLSPVSSMESLLLKTLVAGTIWNLKDIIPCKSQAEIINALLKILSEVLGM
Prediction	CCCCCCCCCCCCCCCCCCCHHHHCCCCCCCCHHHHHCCCHHHHHHHHCCCCHHHHHHHHHHHHHHHCCHHHHHHHHHHCCHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCHHHHHHHHHHCCHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHCHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHCC
Confidence	9866555664323354310112102555430122111309999999339999999999999999982959999999919938999997499999999999999999735974899999991976899999998740012134551012455455699999999999999985673799999980749999999844898626999999999999537799999998625889999972445675148999999999997323576201678999999999997359
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 \| \| \| \| \| \| \| \| \| \| \| \| \| \| MGKSRTKRFKRPQFSPTGDCQAEAAAAANGTGGEEDDGPAAELLEKLQHPSAEVRECACAGLARLVQQRPALPGLARRDAVRRLGPLLLDPSLAVRETAAGALRNLSACGGFEVCDDMVTKDIMTPLVALLKECSAGLDSNEMSLQEKKDQNRNSIENIANETVNVLWNICECSSRAVSIFNKEGCLEIVLKYLSRFPTNVDLAISVAYCLQTVTEDNPELLKSFSATALNMLESALLSPVSSMESLLLKTLVAGTIWNLKDIIPCKSQAEIINALLKILSEVLGM
Prediction	7554445564644442343244633554654544365530340053064654611310010002003347114301655004201410426425013100200120034453600320164301200130044025304434544553455435312400210020011003236501510365400410040034452414001000300110054246015404642243024102444664321101000000010025314454344004101410151077
	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 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.

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

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

SS
Seq

CCCCCCCCCCCCCCCCCCCHHHHCCCCCCCCHHHHHCCCHHHHHHHHCCCCHHHHHHHHHHHHHHHCCHHHHHHHHHHCCHHHHHHHHCCCCHHHHHHHHHHHHHHHHCCCHHHHHHHHHHCCHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHCHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHCC
MGKSRTKRFKRPQFSPTGDCQAEAAAAANGTGGEEDDGPAAELLEKLQHPSAEVRECACAGLARLVQQRPALPGLARRDAVRRLGPLLLDPSLAVRETAAGALRNLSACGGFEVCDDMVTKDIMTPLVALLKECSAGLDSNEMSLQEKKDQNRNSIENIANETVNVLWNICECSSRAVSIFNKEGCLEIVLKYLSRFPTNVDLAISVAYCLQTVTEDNPELLKSFSATALNMLESALLSPVSSMESLLLKTLVAGTIWNLKDIIPCKSQAEIINALLKILSEVLGM

4k6jA

0.13

0.12

4.27

1.33

DEthreader

LNCHQNLSLCTAALMYILSRDRLN-M-------DLDRASLDLMIRLLEL-EQTTGHLAMETLLSLTSKADFKEELRLLGGLDHIVDKVECHALWGAERCLRVLESVTVHN-PENQSYLIAYQLIVSSAKALQHCEELIQQYNKPLQNVTNHVGKAVEDCMRAIIGVLLNLTNDNEWGSTKTGEQDLIGTALNCVLQVPQRFDIRVLGLGLLINLVEYSARNRHCLVNHAVQALVQLFLRAAKHMEDCIVASYTALLLGCLCQESPI-NVTTVREYLFSIMTEMLKK

4plqA

0.18

0.16

5.34

1.37

SPARKS-K

SELPQMVQQLNSPDQQELQSALRKLSQIASGGNEIDAGALPALVQLLSSPNEQILQEALWTLGNIASGGEQIQAVIDAGALPALVQLLSSPNEQILQEALWTLGNIASG-GNEQIQAVIDAGALPALVQLL---------------------SSPNEQILQEALWTLGNIASGGNEQIQAVIDAGALPALVQLLSS--PNEQILQEALWTLGNIASGGNEQIQAVIDAALPALVQLLSSP-----NEQILQEALWTLGNIASGGNEQKQAVKEAGAEPALEQLQSS

4hxtA

0.21

0.16

5.10

0.63

MapAlign

-------------------------------------NDVEKLVKLLTSTDSETQKEAARDLAEIASGASAIKAIVDAGGVEVLVKLLTSTDSEVQKEAARALANIASGP-DEAIKAIVDAGGVEVLVKLLT-S--------------------TDSEVQKEAARALANIASGPDEAIKAIVDAGGVEVLVKLLT-S-TDSEVQKEAARALANIASGPDEAIKAIVAGGVEVLVKLLT--ST---DSEVQKEAARALANIASGP--TSAIKAIVGGVEVLQKLL--

4rv1A

0.21

0.19

5.90

0.46

CEthreader

LVKLLTSTDSEVQKEAARALANIASGPDEAIKAIVDAGGVEVLVKLLTSTDSEVQKEAARALANIAGPDEAIKAIVDAGGVEVLVKLLTSTDSEVQKEAARALANIAS-GPTSAIKAIVDAGGVEVLVKLLTST---------------------DSEVQKEAARALANIASGPDEAIKAIVDAGGVEVLVKLLT--STDSEVQKEAARALANIASGPDEAIKAIVAGGVEVLVKLLTST-----DSEVQKEAARALANIASGPDEAIKAIVDAGGVEVLVKLLTS

4plqA

0.19

0.17

5.43

1.14

MUSTER

MVQQLNSPDQQELQSALRKLSQIASGGNEQIQAVIDAGALPALVQLLSSPNEQILQEALWTLGNIASGGEQIQAVIDAGALPALVQLLSSPNEQILQEALWTLGNIASG-GNEQIQAVIDAGALPALVQLLSSPN---------------------EQILQEALWTLGNIASGGNEQIQAVIDAGALPALVQLLSSP--NEQILQEALWTLGNIASGGEQIQAVIDAGALPALVQLLSSPN-----EQILQEALWTLGNIASGGNEQKQAVKEAGAEPALEQLQSS

4rv1A

0.18

0.17

5.68

1.05

HHsearch

LLTSTDSEVQKEAARALANIASGPDEAI---KAIVDAGGVEVLVKLLTSTDSEVQKEAARALANIASGPDAIKAIVDAGGVEVLVKLLTSTDSEVQKEAARALANIASGP-DEAIKAIVDAGGVEVLVKLLTSTDSEVQKEASPVEVLVKLLTSTDSEVQKEAARALANIASGPDEAIKAIVDAGGVEVLVKLLTST--DSEVQKEAARALANIASGPDEAIKAIDAGGVEVLVKLLTST-----DSEVQKEAARALANIASGPDEAIKAIVDAGGVEVLVKLLTS

4d49A

0.20

0.15

4.81

1.83

FFAS-3D

---------------------------------------LPQMVQQLNSPDQQELQSALRKLSQIASGGEQIQKLIEAGALSPLVKLLDDASEEVIKEAVWAIANIAS-GNNEQIQKLIEAGALSPLVKLLDD---------------------ASEEVIKEAVWAIANIASGNNEQIQKLIEAGALSPLVKLLDDAS--EEVIKEAVWAIANIASGNNEQIQKLIEGALSPLVKLL-----DDASEEVIKEAVWAIANIASGNNEMKQKLEEAGALPALEKLQ--

6bcuW3

0.14

0.12

4.21

0.82

EigenThreader

KIEGSKSLAQSWRPFFAEQLTAFQVWLTMGVENRNPPEQLPIVLQVLLSQVH--RLRALDLLGRFLDLPWAVSLALSVGIFPYVLKLLQSSARELRPLLVFIWAKILAVD-SSCQADLVKDNGHKYFLSVLAD--------PYMP-----------AEHRTMTAFILAVIVNSYHTGQEACLQGNLIAICLEQL--NDPHPLLRQWVAICLGRIWQNFDSARWCGVRDAHEKLYSLLSDPI----PEVRCAAVFALGTFVGNSAERTDHSTTIDHNVAMMLAQLVS

4rv1A

0.21

0.18

5.78

1.45

CNFpred

---------SETQKEAARDLAEIASGPASAIKAIVDAGGVEVLVKLLTSTDSEVQKEAARALANIASGPEAIKAIVDAGGVEVLVKLLTSTDSEVQKEAARALANIAS-GPDEAIKAIVDAGGVEVLVKLLTST---------------------DSEVQKEAARALANIASGPDEAIKAIVDAGGVEVLVKLLTST--DSEVQKEAARALANIASGPTSAIKAIVAGGVEVLVKLLTST-----DSEVQKEAARALANIASGPDEAIKAIVDAGGVEVLVKLLTS

3javA

0.10

0.09

3.53

1.33

DEthreader

CLRQYAINSGDVAESVLVDVLHRPELLFPNTRKCESGG-FICKLIKHKQLENEKLCIKVLQTLREMMTSECHLDKEGASNLVIDLIMNASSDRVFHESILLAIALLEGNTIQHSFFCRLTEKFKVFYDRMKVAQQEIKATVTT--EMAVITIMQPILRFLQLLCENHNRDL-QNFLRCQNNKTYNLVCETLQFLDCIYNNVALINQTLESLTEYCQGCHENQNCIASNGIDIITALINDINKRMDLLELKNNASKLLLAIMESRHDSENAILNMRELVEVIKAYMQ

(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	0.8646

(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	4rv1A	0.86	1.48	0.210	0.899	model1_4rv1A.pdb.gz
2	4k6jA	0.86	2.62	0.121	0.979	model1_4k6jA.pdb.gz
3	4plqA	0.85	1.68	0.195	0.899	model1_4plqA.pdb.gz
4	3l6xA	0.84	2.16	0.162	0.923	model1_3l6xA.pdb.gz
5	4rxhB	0.84	1.72	0.160	0.895	model1_4rxhB.pdb.gz
6	2jdqB	0.84	1.75	0.152	0.895	model1_2jdqB.pdb.gz
7	6sa8A	0.84	1.85	0.191	0.899	model1_6sa8A.pdb.gz
8	1xm9A	0.84	2.32	0.133	0.920	model1_1xm9A.pdb.gz
9	3c2hB	0.82	2.75	0.121	0.955	model1_3c2hB.pdb.gz
10	2z6gA	0.79	3.17	0.109	0.927	model1_2z6gA.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:0008565	0.78	protein transporter activity
GO:0008139	0.78	nuclear localization sequence binding
GO:1901363	0.61	heterocyclic compound binding
GO:0097159	0.61	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:0044699	0.90	single-organism process
GO:0009987	0.86	cellular process
GO:0051234	0.79	establishment of localization
GO:0046907	0.78	intracellular transport
GO:0045184	0.77	establishment of protein localization
GO:0008104	0.77	protein localization
GO:0006607	0.76	NLS-bearing protein import into nucleus
GO:0065007	0.72	biological regulation
GO:0050794	0.70	regulation of cellular process
GO:0050896	0.57	response to stimulus
GO:0065008	0.55	regulation of biological quality
GO:0006950	0.55	response to stress
GO:0044763	0.53	single-organism cellular process
GO:0044419	0.53	interspecies interaction between organisms
GO:1902583	0.52	multi-organism intracellular transport
GO:0046794	0.52	transport of virus
GO:0044068	0.52	modulation by symbiont of host cellular process
GO:0019058	0.52	viral life cycle
GO:0019048	0.52	modulation by virus of host morphology or physiology
GO:0010035	0.52	response to inorganic substance
GO:0000302	0.52	response to reactive oxygen species

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	0.98	intracellular organelle
GO:0005634	0.96	nucleus
GO:0005737	0.94	cytoplasm
GO:0044446	0.89	intracellular organelle part
GO:0044444	0.89	cytoplasmic part
GO:0044428	0.86	nuclear part
GO:0005829	0.83	cytosol
GO:0005654	0.73	nucleoplasm
GO:0032991	0.62	macromolecular complex
GO:0005643	0.58	nuclear pore
GO:0043234	0.56	protein 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	0.060	2dqmA	0.518	5.09	0.050	0.762	3.4.11.2	NA
2	0.060	1dl2A	0.481	5.09	0.047	0.706	3.2.1.113	NA
3	0.060	1hcuB	0.470	5.15	0.052	0.696	3.2.1.113	NA
4	0.060	1ho8A	0.716	3.26	0.098	0.860	3.6.3.14	162
5	0.060	1w3bB	0.477	5.16	0.068	0.710	2.4.1.-	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	0.37	1ee4A	0.844	1.68	0.152	0.895	1.13	III	complex1.pdb.gz	25,26,60,64,66,67,68,72,98,101,105,108,110,165,169,172,206,209
2	0.34	3q5uA	0.823	2.03	0.171	0.899	0.98	III	complex2.pdb.gz	29,60,67,98,101,104,105,108,162,165,169,172
3	0.22	1bk6B	0.832	1.86	0.152	0.895	0.86	III	complex3.pdb.gz	24,25,26,31,60,64,67,98,101,105
4	0.19	3nmxC	0.784	2.82	0.162	0.909	0.84	III	complex4.pdb.gz	25,60,63,64,67,68,73,97,98,101,104,105,108,165
5	0.19	3kndA	0.832	1.82	0.137	0.895	0.87	III	complex5.pdb.gz	14,18,22,24,25,26,27,31,57,60,64,67,68,101,105,108,162,165
6	0.16	3ouwA	0.797	2.35	0.157	0.888	0.85	III	complex6.pdb.gz	56,63,97,98,101,104,105,108,162,202,206
7	0.14	3c2gA	0.820	2.74	0.121	0.955	0.92	III	complex7.pdb.gz	59,60,64,97,105,108,110,115,165,169,172
8	0.13	1jppB	0.773	2.50	0.167	0.878	0.96	III	complex8.pdb.gz	60,72,101,104,108,165,169,172,173,178,213
9	0.13	1t08A	0.748	2.92	0.145	0.867	0.83	III	complex9.pdb.gz	21,22,63,64,67,101,104,105,108,169,172,173,178,206,212,213,255
10	0.10	3l6xA	0.843	2.16	0.162	0.923	1.05	III	complex10.pdb.gz	4,15,16,18,19,21,22,25,26,63,64,67,68,72,101,104,105,108,115,169,202

	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.