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I-TASSER results for job id S34340

  Submitted Sequence

>HEEL
AIVQTLVNSV

  Predicted Secondary Structure

Sequence
           
AIVQTLVNSV
PredictionCHHHHHHCCC
Conf.Score9789872149

  Top 5 Models predicted by I-TASSER

Download Model 1
C-score= 0.22
 
Estimated accuracy of Model1: 0.74±0.11 (TM-score)    0.5±0.5Å (RMSD)    (Read more about C-score of generated models)

  Top 10 templates used by I-TASSER

RankPDB
Hit
Iden1Iden2Cov.Norm.
Z-score
Download
Align.
 
          
Sec.Str
Seq
CHHHHHHCCC
AIVQTLVNSV
11qd6\ 0.11 0.90 1.64Download SIIANMLQE-
21qd6. 0.11 0.10 0.90 1.86Download SIIANMLQE-
31qd6\ 0.11 0.90 1.60Download SIIANMLQE-
42bapD 0.10 0.10 1.00 1.54Download SLLEALQSGA
51t1kA 0.30 0.30 1.00 1.45Download GIVEQCCTSI
62bapD 0.10 0.10 1.00 1.39Download SLLEALQSGA
71qz7B 0.30 0.30 1.00 1.43Download SILDEHVQRV
81novD 0.20 0.30 1.00 1.43Download SILKSGLNFA
91qz7B 0.30 0.30 1.00 1.33Download SILDEHVQRV
101j5pA 0.40 0.40 1.00 1.41Download SILRTLRNLE
(a)All the residues are colored in black; however, those residues in template which are identical to the residue in the query sequence are highlighted in color. Coloring scheme is based on the property of amino acids, where polar are brightly coloured while non-polar residues are colored in dark shade. (more about the colors used)
(b)Rank of templates represents the top ten threading templates used by I-TASSER.
(c)Ident1 is the percentage sequence identity of the templates in the threading aligned region with the query sequence.
(d)Ident2 is the percentage sequence identity of the whole template chains with query sequence.
(e)Cov. represents the coverage of the threading alignment and is equal to the number of aligned residues divided by the length of query protein.
(f)Norm. Z-score is the normalized Z-score of the threading alignments. Alignment with a Normalized Z-score >1 mean a good alignment and vice versa.
(g)Download Align. provides the 3D structure of the aligned regions of the threading templates.
(h)The top 10 alignments reported above (in order of their ranking) are from the following threading programs:
       1: SP3   2: PPA-I   3: SPARKS   4: SP3   5: PPA-I   6: SPARKS   7: SP3   8: PPA-I   9: SPARKS   10: SP3   

  10 proteins in PDB which are structurally closest to the first I-TASSER model (identified by TM-align)

RankTM-scoreRMSDaIDENaCov.PDB
Hit
10.9846 0.06 0.10 1.001jipA
Model1
 
20.9841 0.06 0.00 1.002jmhA
Model1
 
30.9836 0.06 0.10 1.002fckA
Model1
 
40.9806 0.07 0.10 1.001nrjB
Model1
 
50.9781 0.08 0.20 1.001jb9A
Model1
 
60.9778 0.08 0.00 1.002fmyA
Model1
 
70.9771 0.08 0.10 1.001di2A
Model1
 
80.9771 0.08 0.00 1.001ni9A
Model1
 
90.9760 0.08 0.10 1.001jhgA
Model1
 
100.9757 0.08 0.00 1.003e8oA
Model1
 
Structural alignment using TM-align
 
TTVPDLESDSFHVDWYRTYAELRETAPVTPVRFLGQDAWLVTGYDEAKAALSDLRLSSDPKKKYPGVEVEFPAYLGFPEDVRNYFATNMGTSDPPTHTRLRKLVSQEFTVRRVEAMRPRVEQITAELLDEVGDSGVVDIVDRFAHPLPIKVICELLGVDEKYRGEFGRWSSEILVMDPERAEQRGQAAREVVNFILDLVERRRTEPGDDLLSALIRVQDDDDGRLSADELTSIALVLLLAGFESSVSLIGIGTYLLLTHPDQLALVRRDPSALPNAVEEILRYIAPPETTTRFAAEEVEIGGVAIPQYSTVLVANGAANRDPKQFPDPHRFDVTRDTRGHLSFGQGIHFCMGRPLAKLEGEVALRALFGRFPALSLGIDADDVVWRRSLLLRGIDHLPVRLDG 
-----------------------------------------------------------------------------------------------------------------------AIVQTLVNSV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 
 
QEHKPKKDDFRNEFDHLLIEQANHAIEKGEHQLLYLQHQLDELNENKSKELQEKIIRELDVVCAMIEGAQGALERELKRTDLNILERFNYEEAQTLSKILLKDLKETEQKVKDIQTQ 
------------------------------------------------------------------------------------------------------AIVQTLVNSV----- 
 
TPDFQIVTQRLQLRLITADEAEELVQCIRQSQTLHQWVDWFSQQEAEQFIQATRLNWVKAEAYGFGVFERQTQTLVGVAINEFYHTFNASLGYWIGDRYQRQGYGKEALTALILFCFERLELTRLEIVCDPENVPSQALALRCGANREQLAPNRFLYAGEPKAGIVFSLIP 
--------------------------------------------AIVQTLVNSV--------------------------------------------------------------------------------------------------------------------- 
 
SYQPSIIIAGPQNSGKTSLLTLLTTDSVRPTVVSQEPLSAADYDGSGVTLVDFPGHVKLRYKLSDYLKTRAKFVKGLIFMVDSTVDPKKLTTTAEFLVDILSITESSCENGIDILIACNKSELFTARPPSKIKDALESEIQKVIERRKKSLNELDVLGFKFANLEASVVAFEGSINKRKISQWREWIDEKL 
---------------------------------------------------------------------------------------------------------------------------------------------AIVQTLVNSV---------------------------------------- 
 
DPNATHIMIATGTGVAPFRGYLRRMFMEDVPNYRFGGLAWLFLGVANSDSLLYDEEFTSYLKQYPDNFRYDKALSREQKGKMYVQDKIEEYSDEIFKLLDGGAHIYFCGLKGMMPGIQDTLKKVAERRGESWDQKLAQLKKNKQWHVEVY 
------------------------------------------------------------------------------------------------------------------AIVQTLVNSV-------------------------- 
 
FKDARLRLAEFLVQAAMDTGLKVPQGIKLELGLNTEEIALMLGTTRQTVSVLLNDFKKMGILERVNQRTLLLKDLQKLKEFSS 
----AIVQTLVNSV--------------------------------------------------------------------- 
 
MPVGSLQELAVQKGWRLPEYTVAQESGPPHKREFTITCRVETFVETGSGTSKQVAKRVAAEKLLTKFKT 
------------------------------------------------------AIVQTLVNSV----- 
 
GCFLNAPDMYMEKLIVGPGAKGTIDLNLPLADNLRNVAAALGKPLSELTVTILAKHDAVIAEMQQLGVRVFAIPDGDVAASILTCMPDSEVDVLYGIGGAPEGVVSAAVIRALDGDMNGRLLAGIEAGKVLRLGDMAR 
-------------------------------AIVQTLVNSV------------------------------------------------------------------------------------------------- 
 
SAAMAEQRHQEWLRFVDLLKNAYQNDLHLPLLNLMLTPDEREALGTRVRIIEELLRGEMSQRELKNELGAGIATITRGSNSLKAAPVELRQWLEEVLLKSD 
----AIVQTLVNSV--------------------------------------------------------------------------------------- 
 
TVISHGTLSASAEHAAHLRQLLVHIAQATRQEDGCLLYLVSEDLSQPGHFLITEHWDNLGAHTHLALPGVTQAIDALKHLNVTDLKITAYEAGEAINIG 
------------------AIVQTLVNSV----------------------------------------------------------------------- 
 
(a)Residue pairs that are structurally aligned by TM-align program are highlighted in color. Coloring scheme is based on the property of amino acids, where polar are brightly coloured while non-polar residues are colored in dark shade.(more about the colors used)
(b)Ranking of proteins is based on TM-score of the structural alignment between Model1 and the PDB structures in our template library.
(c)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa 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 model.

  Function Prediction

  Predicted EC Numbers

RankTM-scoreRMSDaIDENaCov.EC-ScorePDB
Hit
EC No.
10.8259 0.23 0.70 1.003.31411lx5A 2.7.11.30
 
20.9443 0.12 0.50 1.002.86101u52A 3.1.4.4
 
30.9097 0.16 0.50 1.002.81262riiY 1.8.98.2
 
40.9594 0.10 0.40 1.002.58421nu3B 3.3.2.8
 
50.9302 0.14 0.40 1.002.53901z7gA 2.4.2.8
 
(a)Ranking is based on EC-score, which is a confidence score for the Enzyme Classification (EC) Number prediction.
(b)RMSDa is the RMSD between models and the PDB structure in the structurally aligned regions by TM-align.
(c)IDENa is percentage sequence identity in the structurally aligned region.
(d)Cov. represents the coverage of the alignment and is equal to the number of structurally aligned residues divided by length of model.
(e)EC-Score is defined based on the C-score of the structure prediction and similarity of the model with known enzyme structures, as identified using both global and local structural alignment programs. The global similarity score uses TM-score, IDENa,RMSDa and Cov. of the structural alignment by TM-align, while the local match compares the structural and chemical similarity of local spatial motifs in the model with known catalytic site of enzymes. A prediction with a EC-score >1.1 signifies a prediction with high confidence (upto 3 digit numbers of EC) and vice versa (For details, see Ambrish, Kucukural and Zhang,Large scale benchmarking of protein function prediction using predicted protein structures, 2009, submitted).

  Predicted GO terms

RankTMscoreRMSDaIDENaCov.PDB
Hit
Fh-ScoreAssociated GO Terms
10.8493 0.23 0.70 1.001m4uL 3.33 GO:0005125 GO:0008083 GO:0008201 GO:0030246 GO:0008283 GO:0009653 GO:0010926 GO:0032501 GO:0040007 GO:0044237 GO:0048869 GO:0050789 GO:0051179 GO:0065007 GO:0005576 GO:0005615
20.8958 0.18 0.60 1.002bhkA 3.09 GO:0005125 GO:0008083 GO:0009653 GO:0009987 GO:0032501 GO:0040008 GO:0050789 GO:0065007 GO:0005576 GO:0005615
30.9387 0.13 0.50 1.001v0yA 2.85 GO:0004620 GO:0004630 GO:0008152
40.8802 0.19 0.50 1.002gzwD 2.77 GO:0003677 GO:0003700 GO:0005515 GO:0030551 GO:0030552 GO:0030554 GO:0006139 GO:0009058 GO:0009889 GO:0009987 GO:0043283 GO:0044249 GO:0044260 GO:0050794 GO:0060255 GO:0065007 GO:0005622 GO:0005623
50.8650 0.20 0.50 1.001kfwA 2.76 GO:0004568 GO:0030246 GO:0043169 GO:0006032 GO:0006044 GO:0006046 GO:0009056 GO:0043283 GO:0005576
60.8340 0.23 0.50 1.002ckxA 2.72 GO:0003677 GO:0006139 GO:0009058 GO:0009889 GO:0009987 GO:0043283 GO:0044249 GO:0044260 GO:0050794 GO:0060255 GO:0065007 GO:0005622 GO:0005623 GO:0005634 GO:0043229 GO:0044424
70.8307 0.24 0.50 1.001vkoA 2.71 GO:0004512 GO:0005488 GO:0009987 GO:0032501 GO:0032502 GO:0040008 GO:0040011 GO:0044237 GO:0050789 GO:0065007
80.9473 0.12 0.40 1.001xvhA 2.56 GO:0005515 GO:0009405 GO:0005623 GO:0005886 GO:0016021
90.9471 0.12 0.40 1.002ikqM 2.56 GO:0005622 GO:0005623 GO:0005634 GO:0005737 GO:0043229
100.9407 0.13 0.40 1.001yxmD 2.55 GO:0005488 GO:0019166 GO:0009058 GO:0009987 GO:0016265 GO:0044237 GO:0044238 GO:0050793 GO:0050794 GO:0055114 GO:0065007 GO:0005622 GO:0005623 GO:0005737 GO:0005739 GO:0005777 GO:0043229 GO:0044444

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00055151.096  GO:00099872.124  GO:00056232.175
GO:00167870.786  GO:00650071.239  GO:00056221.920
GO:00167400.508  GO:00325020.965  GO:00057371.395
GO:00468720.506  GO:00442600.930  GO:00432291.274
GO:00036760.402  GO:00090580.908  GO:00444440.759
GO:00080830.321  GO:00432830.793  GO:00056340.515
GO:00051020.321  GO:00507940.655  GO:00058860.508
GO:00051250.321  GO:00325010.584  GO:00055760.459
GO:00302460.304  GO:00400080.580  GO:00444250.381
GO:00036770.275  GO:00061390.528  GO:00057390.380

(a)Ranking in the first table is based on a function prediction score (Fh-score), which is calculated based on the C-score of the structure prediction and the TM-score, IDENa, RMSDa and Cov. of the structural alignment by TM-align between the predicted model and the PDB structures (For details, see Ambrish, Kucukural and Zhang,Large scale benchmarking of protein function prediction using predicted protein structures, 2009, submitted).
(b)RMSDa is the RMSD between models and the PDB structure in the structurally aligned regions by TM-align.
(c)IDENa is the percentage sequence identity in the structurally aligned region.
(d)Cov. represents the coverage of the alignment and is equal to the number of structurally aligned residues divided by length of model.
(e)A consensus prediction of GO terms is derived from the structural analogs that have an Fh-score of >=1.0. The GO-Score associated with each prediction is defined as the average weight of the GO term, where the weights are assigned based on the Fh-score of the template from which the GO term is derived. A prediction with a GO-score >0.5 signifies a prediction with high confidence and vice versa.


  Predicted Binding Site

No binding site residues were found in the predicted structure.




 Please cite following articles when you use the I-TASSER server:
1.Yang Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, 9:40 (2008).
2.Yang Zhang. Template-based modeling and free modeling by I-TASSER in CASP7. Proteins, 8: 108-117 (2007).
3.Sitao Wu, Jeffrey Skolnick, Yang Zhang. Ab initio modeling of small proteins by iterative TASSER simulations. BMC Biology, 5:17 (2007).