D-I-TASSER Q8TB03-D1

D-I-TASSER results for Q8TB03-D1

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

Input Sequence in FASTA format

>Q8TB03 (319 residues)
MVLSELAARLNCAEYKNWVKAGHCLLLLRSCLQGFVGREVLSFHRGLLAAAPGLGPRAVC
RGGSRCSPRARQFQPQCQVCAEWKREILRHHVNRNGDVHWGNCRPGRWPVDAWEVAKAFM
PRGLADKQGPEECDAVALLSLINSCDHFVVDRKKVTEVIKCRNEIMHSSEMKVSSTWLRD
FQMKIQNFLNEFKNIPEIVAVYSRIEQLLTSDWAVHIPEEDQRDGCECEMGTYLSESQVN
EIEMQLLKEKLQEIYLQAEEQEVLPEELSNRLEVVKEFLRNNEDLRNGLTEDMQKLDSLC
LHQKLDSQEPGRQTPDRKA

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MVLSELAARLNCAEYKNWVKAGHCLLLLRSCLQGFVGREVLSFHRGLLAAAPGLGPRAVCRGGSRCSPRARQFQPQCQVCAEWKREILRHHVNRNGDVHWGNCRPGRWPVDAWEVAKAFMPRGLADKQGPEECDAVALLSLINSCDHFVVDRKKVTEVIKCRNEIMHSSEMKVSSTWLRDFQMKIQNFLNEFKNIPEIVAVYSRIEQLLTSDWAVHIPEEDQRDGCECEMGTYLSESQVNEIEMQLLKEKLQEIYLQAEEQEVLPEELSNRLEVVKEFLRNNEDLRNGLTEDMQKLDSLCLHQKLDSQEPGRQTPDRKA
Prediction	CCHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHCCCSSSCCCCCCCCCCSHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCC
Confidence	9616778862676666899999999999987787999999999999998556888877667888788422345778861589999999970588886332247877787642466776445420026883314588999999864341104777789998754430452212368999999999999999875043678999999999843620213732210132011110255013668999999999999999987405678889999999999997229999886899999999999961112100124555579
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MVLSELAARLNCAEYKNWVKAGHCLLLLRSCLQGFVGREVLSFHRGLLAAAPGLGPRAVCRGGSRCSPRARQFQPQCQVCAEWKREILRHHVNRNGDVHWGNCRPGRWPVDAWEVAKAFMPRGLADKQGPEECDAVALLSLINSCDHFVVDRKKVTEVIKCRNEIMHSSEMKVSSTWLRDFQMKIQNFLNEFKNIPEIVAVYSRIEQLLTSDWAVHIPEEDQRDGCECEMGTYLSESQVNEIEMQLLKEKLQEIYLQAEEQEVLPEELSNRLEVVKEFLRNNEDLRNGLTEDMQKLDSLCLHQKLDSQEPGRQTPDRKA
Prediction	6434413441427503200200100000242034103410450154024414624441414456514445464453153155025302632446524131341434404442140030012423465443751302000100220330324364044005022521322524144630440242034005415414424434541441233434133455453312514134324435135211510453055013304645434662363053035005525403630464154044024424454653546346568
	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                 300

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

SS
Seq

CCHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCHHHHHHHHHHHHHHCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHCCCSSSCCCCCCCCCCSHHHHHCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCC
MVLSELAARLNCAEYKNWVKAGHCLLLLRSCLQGFVGREVLSFHRGLLAAAPGLGPRAVCRGGSRCSPRARQFQPQCQVCAEWKREILRHHVNRNGDVHWGNCRPGRWPVDAWEVAKAFMPRGLADKQGPEECDAVALLSLINSCDHFVVDRKKVTEVIKCRNEIMHSSEMKVSSTWLRDFQMKIQNFLNEFKNIPEIVAVYSRIEQLLTSDWAVHIPEEDQRDGCECEMGTYLSESQVNEIEMQLLKEKLQEIYLQAEEQEVLPEELSNRLEVVKEFLRNNEDLRNGLTEDMQKLDSLCLHQKLDSQEPGRQTPDRKA

4p3zA

0.06

0.05

2.13

0.54

CEthreader

QELRGLRDAIGDDASPEDILALVQEKIKDPALQSTALDYLVQTTPPS-------------------------------------------------------------QGKLKEALIQARNTHTEQFGRTAIGAKNILFASQEYADQLNVSPSGLRSLYLEVTGDTHTCDQRYTYQDMAIVSSFLMKGMATELRQGPYVPSAQLQVLMTETRNLQAVLTSYDYFESRVPILLDSLKAFVKVAESYHIINPTASVEREVRNLIGDVDSVTGVLNLFFSALRQTSSRLADRQQLGAMIANALDAVNINNED----------

2r02A

0.09

0.08

3.13

0.73

EigenThreader

VDL-------------AKPLVKFIQQTYQYCRAAEELSKLRRAAVGLETLLRYYDQICSIEPKFAFDKGSLFGGSVSCVLFNCAALASQIAAEQNLDHYQFASGAFLHIKVGTLSLIMLAQAQEVFFLKATRDKANQAADYFGYKDTVLAAKHCIMQANAEYHQSILAKQQYYFGEEIARLQHAAELIKTVASRYDKINRALAAAKKDNDFINLPAAIE--DVSGDTVPQSILTKSRSVIEQELPELLQRNREILDESLRLLDEEEATDNDLRAKFELVANLKEGTKFYNELTEILVRFQNKCSDIVFAR---------

1qoyA

0.11

0.09

3.31

0.76

FFAS-3D

-ILDSMAE----------IVADKTVEVVKNAIETA-DGALDLYNKYLDQVIP------WQTFDETIKELSRFKQEYSQAASVLVGDIKTLLMD--SQDKYFEATQTEWCGVATQLLAAYILLFDEYNEKKASAQKDILIKVLDD------GITKLNEAQKSLLVS---------SQSFNNASGKLLALDSQLTKSSYFQSQVDKIRKEAYAGFGLIISYSIAAGVVEGKLIPEL-KNKLKSVQFTTLSNTVKQANKDIDAAKLKLTTEIAAIGEIKTETETDDLMLSLLKEAAKKMNTCNEYQKRHGKKT---------

5ifeC

0.07

0.06

2.47

0.63

SPARKS-K

QLIDGILYAFQETEDS---VMLNGFGTVVNALGKRVKPYLPQICGTVLWRLN------------------NKSAKVRQQAADLISRTAVVMKTCQE------------EKLMGHLGVVLYEYLGEEYPEVLGSILGALKAIVNVIHKMTPPKDLLPRLTPILKN--------RHEKVQENCIDLVGRIADRGAEYREWMRICFELLELLKAHTVNTFGYIAKAIGPHDVLATLQNRVCTTVAIAIVAETCLPALMNEYRVPEL--NVQNGVLKSLSFLFEYIGEMGKDIYAVTPLLEDALMDRDLVHRQTASAVVQHMS

2h4mA

0.09

0.08

2.85

0.85

CNFpred

HILPLLKELLFHHEWVVKESGILVLGAIAEGCMQGMIPYLPELIPHLIQCLSDKKALVRS--------------ITCWTLSRYAHWVVSQPPD----------------TYLKPLMTELLKRILDSNKRVQEAACSAFATLEEEACTE-YQHKNLLILYDAIGTLADSVGHHNKPEYIQMLMPPLIQKWNMLKEDKDLFPLLECLSSVATALQSGFLP----------------YCEPVYQRCVNLVQKTLAQAMLNNAQPAPDKDFMIVALDLLSGLAEGLGNIEQLVANILTLMYQCMQDK----------MPEVRQ

5ee7A

0.04

0.03

1.41

0.67

DEthreader

VYSASAVLFIDAAVFMQYGIVANYCWLLVEGLYLHNLLGLNIMVAINMVFQGEVA-FTSLRMEAAVN----LAKS--R--WY-NQTPNRA---------K--RVI-TTFRTGT-WDAYPERSF---------FSLYL---------------------GIGWGAPALFVVWAILRFPVFLAILINFFIFVRIVQLLATLTLIPLLGVHFVVFAFV---------TDEHRSKLFFDLALSSFQGLLVAVLYCFLNKEVQS--E--------------------------------LR-RRWHR--A--------------

6tgbA

0.06

2.46

0.97

MapAlign

EWGSIWKQLYSKKERFLQVQSMMYDLMEWRSQLLKELKQKVTSKIDYGNKILELGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--GGGGGGGGGGGGTGGGGGGGGGGGGGGGGGMMEHSQSDEKFLEHTNGDEQYMQLLESILMECAAEHPTI-A-KSVENFVGLLEKLLDYRGVESKDNRMSCTVNLLNF-------YKDNNREEMYIRYLYKLRDLHLDCDNYTEAAYTLYETIIGYFDKGKMW-EEAISLCKELAEQYEMEIFDY----ELLSQNLIQQAKFYESIMKILRPK-----

3i9wA

0.11

0.09

3.18

0.54

MUSTER

-PTMNMARQLS-EASAWELFAAQNLTSADEKMWQAQGRMLTAQSLKINALLQAL----------------REQGFDTTAIEQQEQEISRSLRQ-----------------GELVGQRLQLRQQQQQLSQQIVAAADEIARLAQ-----GQANNATTSAGATQAGIYDLIEQDQRQAAESALDRLIDIDLEYVNQMNELRLSALRVQQMVMN-----LGLEQIQKNAPTLEKQLNNAVKILQRRQIGVRAQVATTLTTVSQYSALYQQDSEISNHLQTLAQNNIAQFAQFSSEVSQLVDTIELRNQ--------------

6gmhQ

0.16

0.15

4.98

0.55

HHsearch

YFLASLDRAEHDEHYYNAISVTTSYNLARLYEAMCEFHEAEKLYKNILREHPNYV---DCYLRLGAMARD---KGNFYEASDWFKEALQINQHPDAWSLIGNLHL---AKQEWGPGKKFE-R--ILKQPSTQSDTYSMLALGNVWLQHQPDRAIYKQVLRAKNLYAANGAVLAYFREARDVFAQVREA---TADISQYISAVQMYENCLRKNTEVVLYKCGKLQECAPSTVLMFNVALVLQ--------RLATSVLK--DEKSNLKEVLNAVKELATEARQCSDLLSQAQYHVARARKQDEERELKQEQEKEQRAQEKT

6xt4A

0.09

0.06

2.39

0.54

CEthreader

--------------------------------EKEKLKELLKRAEELAKSPDPEDLKEAVRLAEEVVRERPGSNLAKKALEIILRAAEELAKLPDPKALIAAVLAAIKVVRLEIILRAAEELAKLPDPLALAAAVVAATIVVLTQPGSELAKKALEIIERAAEELKKSPD-----PLAQLLAIAAEALVIALKSKEMVKLTTLALLTSLLILILILLDLKEMLERLE-DVIVKVLKVIVKAIEASVLNQAISAINQILLALS---------------------------------------------------------

(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	0.6537

(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	5ee7A	0.45	5.06	0.033	0.658	model1_5ee7A.pdb.gz
2	1gqiA	0.45	5.08	0.059	0.639	model1_1gqiA.pdb.gz
3	6pcvA	0.44	5.78	0.069	0.699	model1_6pcvA.pdb.gz
4	7k10A	0.44	6.07	0.043	0.715	model1_7k10A.pdb.gz
5	6sytA	0.43	6.09	0.046	0.671	model1_6sytA.pdb.gz
6	6vr4A	0.43	6.24	0.041	0.699	model1_6vr4A.pdb.gz
7	4kf7A	0.43	6.39	0.073	0.709	model1_4kf7A.pdb.gz
8	6r9tA	0.43	6.71	0.056	0.762	model1_6r9tA.pdb.gz
9	2chnA	0.42	6.41	0.066	0.712	model1_2chnA.pdb.gz
10	5k3gA2	0.42	6.28	0.069	0.696	model1_5k3gA2.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:0008092	0.57	cytoskeletal protein binding
GO:0030507	0.56	spectrin binding
GO:0008093	0.56	cytoskeletal adaptor activity
GO:0004872	0.54	receptor activity
GO:0003824	0.53	catalytic activity
GO:0004871	0.52	signal transducer activity
GO:0016787	0.51	hydrolase activity
GO:0004888	0.51	transmembrane signaling receptor activity

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	0.94	cellular process
GO:0044699	0.89	single-organism process
GO:0044763	0.86	single-organism cellular process
GO:0051179	0.85	localization
GO:0008104	0.84	protein localization
GO:0006810	0.84	transport
GO:0046907	0.83	intracellular transport
GO:0016043	0.67	cellular component organization
GO:0015031	0.65	protein transport
GO:0044765	0.64	single-organism transport
GO:0034613	0.64	cellular protein localization
GO:0008152	0.64	metabolic process
GO:0006605	0.64	protein targeting
GO:0072661	0.63	protein targeting to plasma membrane
GO:0071704	0.59	organic substance metabolic process
GO:0044237	0.58	cellular metabolic process
GO:0065007	0.54	biological regulation
GO:0050789	0.54	regulation of biological process
GO:0043170	0.54	macromolecule metabolic process
GO:0006807	0.54	nitrogen compound metabolic process
GO:0050794	0.53	regulation of cellular process
GO:0044260	0.53	cellular macromolecule 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:0044425	0.92	membrane part
GO:0016021	0.91	integral component of membrane
GO:0005886	0.87	plasma membrane
GO:0044459	0.75	plasma membrane part
GO:0005737	0.73	cytoplasm
GO:0043226	0.71	organelle
GO:0030430	0.71	host cell cytoplasm
GO:0005887	0.71	integral component of plasma membrane
GO:0044444	0.69	cytoplasmic part
GO:0043229	0.67	intracellular organelle
GO:0043227	0.63	membrane-bounded organelle
GO:0043231	0.56	intracellular membrane-bounded organelle
GO:0097458	0.50	neuron part
GO:0042995	0.50	cell projection

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	2x38A	0.384	6.73	0.058	0.668	2.7.1.153	26
2	0.060	2zzgA	0.412	6.43	0.042	0.677	6.1.1.7	NA
3	0.060	2eabA	0.381	6.46	0.024	0.643	3.2.1.63	33
4	0.060	2vvnA	0.410	6.11	0.045	0.671	3.2.1.52	NA
5	0.060	2azdB	0.416	6.51	0.061	0.709	2.4.1.1	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:

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	3mrxA	0.408	6.40	0.043	0.677	0.19	17S	complex1.pdb.gz	24,25,28
2	0.01	1l5qA	0.303	6.50	0.053	0.520	0.32	700	complex2.pdb.gz	25,26,29
3	0.01	2zzgA	0.412	6.43	0.042	0.677	0.12	A5A	complex3.pdb.gz	21,22,23,127,162
4	0.01	1abbA	0.420	6.17	0.045	0.686	0.10	PDP	complex4.pdb.gz	132,137,161
5	0.01	1fc0B	0.358	6.51	0.039	0.599	0.13	NBG	complex5.pdb.gz	26,28,181,182
6	0.01	3cehA	0.304	6.45	0.052	0.517	0.21	AVE	complex6.pdb.gz	19,22,23,26
7	0.01	1b25A	0.410	5.86	0.059	0.646	0.13	PTT	complex7.pdb.gz	21,133,134,135,167,247,249,250
8	0.01	3ms4A	0.406	6.42	0.043	0.677	0.22	21N	complex8.pdb.gz	87,91,92,114,117
9	0.01	2jiwA	0.391	5.99	0.044	0.627	0.11	BEU	complex9.pdb.gz	23,30,134
10	0.01	2w67A	0.410	6.05	0.046	0.665	0.18	F34	complex10.pdb.gz	123,136,140

	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.