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I-TASSER results for job id S34352

  Submitted Sequence

>your_protein
LKKKNVYLFVSTLDVTEEEITAVRSVYESIKTNEQYKIVWIPIVEGWNEQLRKKFDILRS
KMPWYVVQNVENIAGFKFINEEWDFKKKSMFVVFSPQGKVQHKNAFHLIKSYGIKAFPF

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100                 120
                   |                   |                   |                   |                   |                   |
LKKKNVYLFVSTLDVTEEEITAVRSVYESIKTNEQYKIVWIPIVEGWNEQLRKKFDILRSKMPWYVVQNVENIAGFKFINEEWDFKKKSMFVVFSPQGKVQHKNAFHLIKSYGIKAFPF
PredictionCCCCSSSSSSCCCCCCHHHHHHHHHHHHHHCCCCCCSSSSSSCCCCCCHHHHHHHHHHHCCCCCSSCCCCCCCHHHHHHHHHCCCCCCSSSSSSCCCCCSSCHHHHHHHHHHCCCCCCC
Conf.Score98768999964899977999999999987453788079999735886656689999886089826537755208999999981878953899989998097778999999977355899

  Top 5 Models predicted by I-TASSER

Download Model 1
C-score= 0.31
 
Estimated accuracy of Model1: 0.75±0.10 (TM-score)    3.7±2.5Å (RMSD)    (Read more about C-score of generated models)

  Top 10 templates used by I-TASSER

RankPDB
Hit		Iden1Iden2Cov.Norm.
Z-score		Download
Align.		                   20                  40                  60                  80                 100
                   |                   |                   |                   |                   |                   
Sec.Str
Seq		CCCCSSSSSSCCCCCCHHHHHHHHHHHHHHCCCCCCSSSSSSCCCCCCHHHHHHHHHHHCCCCCSSCCCCCCCHHHHHHHHHCCCCCCSSSSSSCCCCCSSCHHHHHHHHHHCCCCCCC
LKKKNVYLFVSTLDVTEEEITAVRSVYESIKTNEQYKIVWIPIVEGWNEQLRKKFDILRSKMPWYVVQNVENIAGFKFINEEWDFKKKSMFVVFSPQGKVQHKNAFHLIKSYGIKAFPF
11i5gA 0.20 0.22 0.95 1.95Download LAGKTVFFYFSWCPPSRAFTPQLIDFYKAHAEKKNFEVMLISWDES-----AEDFKDYYAKMPWLALPF-EDRKGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVVKPEAKDFPW
21o73A 0.18 0.21 0.94 2.24Download LVGKTVFLYFSASWCPPCFTPVLAEFYEKHHVAKNFEVVLISWDENE-----SDFHDYYGKMPWLALPFDQR-STVSELGKTFGVESIPTLITINADGAIIGTQARTRVIEDPDGAFP-
31i5gA 0.19 0.22 0.95 2.28Download LAGKTVFFYFSASWCPRAFTPQLIDFYKAHAEKKNFEVMLISW-----DESAEDFKDYYAKMPWLALPFEDR-KGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVVKPEAKDFPW
41i5gA 0.19 0.22 0.95 1.13Download LAGKTVFFYFSASWCPPAFTPQLIDFYKAHAEKKNFEVMLISWDES-----AEDFKDYYAKMPWLALPFEDR-KGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVVKPEAKDFPW
51i5gA 0.19 0.22 0.95 2.41Download LAGKTVFFYFSASWCPRAFTPQLIDFYKAHAEKKNFEVMLISWDES-----AEDFKDYYAKMPWLALPFEDR-KGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVVKPEAKDFPW
61i5gA 0.20 0.22 0.95 1.89Download LAGKTVFFYFSASWCPPSRTPQLIDFYKAHAEKKNFEVMLISWDESAED-----FKDYYAKMPWLALPFED-RKGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVKDPEAKDFPW
71ewxA 0.16 0.22 0.95 0.59Download LAGKLVFFYFSASPPCRGFTPQLIEFYDKFHESKNFEVVFCTWDEE-----EDGFAGYFAKMPWLAV-PFAQSEAVQKLSKHFNVESIPTLIGVDADSVVTTRARATLVKDPEGEQFPW
81i5gA 0.21 0.22 0.95 1.98Download LAGKTVFFYFSASWCPPSRTPQLIDFYKAHAEKKNFEVMLISWDESAED-----FKDYYAKMPWLALPF-EDRKGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVKDPEAKDFPW
91i5gA 0.19 0.22 0.95 2.08Download LAGKTVFFYFSASWCPRAFTPQLIDFYKAHAEKKNFEVMLISW-----DESAEDFKDYYAKMPWLALPFEDR-KGMEFLTTGFDVKSIPTLVGVEADGNIITTQARTMVVKPEAKDFPW
101o73A 0.17 0.21 0.94 1.88Download LVGKTVFLYFSWCPPCRGFTPVLAEFYEKHHVAKNFEVVLISWDEN-----ESDFHDYYGKMPWLALPF-DQRSTVSELGKTFGVESIPTLITINADGAIIGTQARTRVIE-DGANFPW
(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: MUSTER   2: HHSEARCH   3: SP3   4: PROSPECT2   5: PPA-I   6: HHSEARCH I   7: FUGUE   8: HHSEARCH II   9: SPARKS   10: MUSTER   

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

RankTM-scoreRMSDaIDENaCov.PDB
Hit
10.8998 1.06 0.20 0.951i5gA
Model1
 
20.8918 1.11 0.16 0.951o73A
Model1
 
30.8902 1.13 0.15 0.951ewxA
Model1
 
40.7442 2.49 0.09 0.942b7jA
Model1
 
50.7246 2.49 0.10 0.921wp0A
Model1
 
60.7235 2.98 0.11 0.952hyxA
Model1
 
70.7226 2.94 0.09 0.942p31A
Model1
 
80.7225 2.63 0.10 0.932k6vA
Model1
 
90.7217 2.99 0.08 0.942gs3A
Model1
 
100.7203 2.65 0.12 0.903fkfA
Model1
 
Structural alignment using TM-align
 
SGLKKFFPYSTNVLKGAAADIALPSLAGKTVFFYFSASWCPPSRAFTPQLIDFYKAHAEKKNFEVMLISWDE-----SAEDFKDYYAKMPWLALPFE-DRKGMEFLTTGFDVKSIPTLVGVEADSGNIITTQARTMVVKDPEAKDFPWPN 
-------------------------LKKKNVYLFVSTL-DV-TEEEITAVRSVYESIKTNEQYKIVWIPIVEGWNEQLRKKFDILRSKMPWYVVQNVENIAGFKFINEEWDFKKKSMFVVFSPQ-GKVQHKNAFHLIKS-YGIKAFPF-- 
 
MSGLAKYLPGATNLLSKSGEVSLGSLVGKTVFLYFSASWCPPCRGFTPVLAEFYEKHHVAKNFEVVLISWD--E---NESDFHDYYGKMPWLALPF-DQRSTVSELGKTFGVESIPTLITINADTGAIIGTQARTRVIEDPDGANFPWPN 
-------------------------LKKKNVYLFVSTL-DV-TEEEITAVRSVYESIKTNEQYKIVWIPIVEGWNEQLRKKFDILRSKMPWYVVQNVENIAGFKFINEEWDFKKKSMFVVFSPQ-GKVQHKNAFHLIKS-YGIKAFPF-- 
 
SGLDKYLPGIEKLRRGDGEVEVKSLAGKLVFFYFSASWCPPCRGFTPQLIEFYDKFHESKNFEVVFCTWD--E---EEDGFAGYFAKMPWLAVPF-AQSEAVQKLSKHFNVESIPTLIGVDADSGDVVTTRARATLVKDPEGEQFPWKDA 
------------------------LKKKNVYLFVST-LDV-TEEEITAVRSVYESIKTNEQYKIVWIPIVEGWNEQLRKKFDILRSKMPWYVVQNVENIAGFKFINEEWDFKKKSMFVVFSPQ-GKVQHKNAFHLIKS-YGIKAFPF--- 
 
GKPSLGGPFHLEDMYGNEFTEKNLLGKFSIIYFGFSNCPDICPDELDKLGLWLNTLSSKYGITLQPLFITCD-PAR--DSPAVLKEYLSDFHPSILGL-T-GTFDEVKNACKKYRVYVDHSIFFYLMDPEGQFVDA-LGRN-YDEKTGVDKIVEHVKSYVPAEQR 
-----------------------LKKKNVYLFVST--LD-VTEEEITAVRSVYESIKT--NEQYKIVWIPIVEGWNEQLR-KKFDILRSKM-P-WYVVQNVENIAGFKFINEEWDFK--KKSMFVVFSPQGKVQHKNAFHLIKSYG--IKAF--PF--------- 
 
GPFSLTTHTGERKTDKDYLGQWLLIYFGFTHCPDVCPEELEK-IQVVDEIDSITTLPDLTPLFISID-PER--DTKEAIANYVKEFSPKLVGL-T-GTREEVDQVARAYRVYYSPGPKDEDEDYIVDHTII-YLIGPDGEFLD-YFGQ-NKRKGEIAASIATHRPY 
-----------------LKKKNVYLFVST--LD-VTEEEITAVRSVYESIKTN--E-QYKIVWIPIVEGWNEQLR-KKFDILRSKM--PWYVVQNVENIAGFKFINEEWDFK---------------KKSMFVVFSPQGKVQHKNAFHLIKSYG--IKAFP-F--- 
 
GAMEIREQLNLGGIVNAQNAQLSNCSDGAAQLESCGTAPDLKGITGWLNTPGNKPIDLKSLRGKVVLIDFWAYSCINCQRAIPHVVGWYQAYKDS-GLAVIGVHTPEYAFEKVPGNVAKGAANLGISYPIA-L--DNN--YATWTNYRNRYWPAEYLIDATGTVRHIKFGEGDYNVTETLVRQLLNDAKPGVKLPQPSSTTTPDLTPRA 
------------------------------------------------------------LKKKNVYLFVST-LDV-TEEEITAVRSVYESIKTNEQYKIVWIPIVEGWNEQLRKKFDILRS--KMPWYVVQNVENIAGFKFINEEWDFKKKSMFVVFSPQGKVQHKNAFHLIKSYGIKAF--PF------------------------ 
 
QDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGFTDQHYRALQQLQRDLGPH-HFNVLAFPCNQFGQQEP-DSNKEIESFARRTYSVSFPMFSK---IA-VTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKVVGAWDPTVSVEEV-R-PQITALVR 
--------------------LKKKNVYLFVSTLDV--TEEEITAVRSVYESIKTNEQYKIVWIPIV---EGWNEQLRKKFDILRS---KMPWYVVQNVENIAGF----KF--INEEW-----DFKKKSMFVVFSPQGKVQHKNAF-HLIKSYGIKAFPF---- 
 
GAMHTFYGTRLLNPKPVDFALEGPQGPVRLSQFQDKVVLLFFGFTRCPDVCPTTLLALKRAYEKLPPKAQERVQVIFVSV-D-PE-RDPPEVADRYAKAFHPSFLGL-SG-SPEAVREAAQTFGVFYQKSQYRGPGEYLVDHTA-TTFVVK-EGRLVLLYSPDK-AEATDRVVADLQALL 
--------------------------------LKKKNVYLFVST-LD-V-TEEEITAVRSVYESIKT-NE-QYKIVWIPIVEGWNEQLR-KKFDILRSK-MP-WYVVQNVENIAGFKFINEEWDFK----------------KKSMFVVFSPQGKVQHKNAF-HLIKSYG--IKAF--PF 
 
TENLYFQSMRCARSMHEFSAKDIDGHMVNLDKYRGFVCIVTNVASQGGKTEVNYTQLVDLHARYAEC-GLRILAFPCNQFGKQEP-GSNEEIKEFAAGYNVKFDMF-SK--ICVNGDDAHPLWKWMKIQPKGKGILGNAIKWNFTKFLIDKNGCVVKRYGPMEEPLVI-E-KDLPHYF 
--------------------------------LKKKNVYLFVSTLDV--TEEEITAVRSVYESIKTNEQYKIVWIPIV---EGWNEQLRKKFDILRS-K-MPWYVVQNVENIAG---FKF-INE-EW-----------DFKKKSMFVVFSPQGKVQHKNAF-HLIKSYGIKAFP--F- 
 
VTVGKSAPYFSLPNEKGEKLSRSAERFRNRYLLLNFWASWCDPQPEANAELKRLNKEYKKNKNFA-LGISLD--I---DREAWETAIKKDTLSWDQV-C-DFTGL-SSETAKQYAILTLPTNILLSPTGKILARDIQ---GEALTGKLKELL 
--------------------------LKKKNVYLFVST--LDVTEEEITAVRSVYESIKTNEQYKIVWIPIVEGWNEQLRKKFDILRS--KMPWYVVQNVENIA-GFKFINEEWDFKKKSMFVVFSPQGKVQHKNAFHLIKSYGIKAF--PF 
 
(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.
10.6562 2.98 0.16 0.891.09351zofH 1.11.1.15
 
20.6582 3.04 0.16 0.891.08982a5nA 1.11.1.15
 
30.6957 2.64 0.13 0.921.06862fy6A 1.8.4.111.8.4.12
 
40.7192 2.67 0.12 0.901.05333fkfD 1.8.4.7
 
50.7180 2.94 0.11 0.941.02342i3yA 1.11.1.9
 
(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
10.8818 1.22 0.19 0.951oc9B 1.52 GO:0016209 GO:0016491 GO:0019725 GO:0042592 GO:0045454
20.8918 1.11 0.16 0.951o73A 1.47 GO:0016209 GO:0016491 GO:0006091 GO:0006810 GO:0019725 GO:0022900 GO:0042592 GO:0045454
30.8834 1.19 0.15 0.951qk8A 1.42 GO:0016209 GO:0016491 GO:0019725 GO:0042592 GO:0045454
40.6648 2.94 0.19 0.902h01A 1.18 GO:0016209 GO:0016491 GO:0019725 GO:0042592 GO:0045454
50.6954 2.70 0.15 0.903c73B 1.11 GO:0015036 GO:0016209 GO:0010926 GO:0017004 GO:0019725 GO:0022607 GO:0034621 GO:0034622 GO:0042592 GO:0045454 GO:0055114 GO:0070271 GO:0005623 GO:0005886 GO:0016021
60.6565 2.98 0.16 0.891zofJ 1.09 GO:0016209 GO:0051920 GO:0019725 GO:0042592 GO:0045454 GO:0055114
70.6879 2.58 0.14 0.871kngA 1.08 GO:0015036 GO:0010926 GO:0017004 GO:0019725 GO:0022607 GO:0034621 GO:0034622 GO:0042592 GO:0045454 GO:0070271 GO:0005623 GO:0030288 GO:0030312 GO:0042597 GO:0044462
80.7052 2.90 0.12 0.941jfuB 1.07 GO:0016491 GO:0010926 GO:0017004 GO:0019725 GO:0022607 GO:0034621 GO:0034622 GO:0042592 GO:0045454 GO:0070271 GO:0005623 GO:0005886 GO:0016021
90.6962 2.65 0.13 0.922h30A 1.07 GO:0008113 GO:0033743 GO:0006091 GO:0006464 GO:0006810 GO:0019725 GO:0022900 GO:0034960 GO:0042592 GO:0043412 GO:0045454
100.6955 2.90 0.13 0.931xzoB 1.06 GO:0005507 GO:0043169 GO:0019725 GO:0042592 GO:0045454 GO:0005623 GO:0005886

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00164911.011  GO:00197251.014  GO:00056230.881
GO:00162090.799  GO:00454540.963  GO:00160200.563
GO:00046010.310  GO:00425920.963  GO:00058860.485
GO:00166840.310  GO:00081520.441  GO:00312240.482
GO:00166670.214  GO:00551140.441  GO:00444250.482
GO:00150360.161  GO:00440850.317  GO:00160210.482
GO:00519200.156  GO:00226070.317  GO:00444240.312
GO:00431670.104  GO:00650030.317  GO:00056220.312
GO:00055070.104  GO:00702710.317  GO:00319750.240
GO:00469140.104  GO:00160430.317  GO:00057370.235

(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


Binding site residues in the model:
VAL:10  ILE:41  PRO:42  ILE:43  VAL:44  PHE:76  LYS:77  
ASN:80  GLU:81  TRP:83  ASP:84  PHE:85  LYS:86  LYS:87  
LYS:88  SER:89  MET:90  PHE:91  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11u0lA0.5448 3.59 0.12 0.75 0.60Download10,41,42,43,44,76,77,80,81,83,84,85,86,87,88,89,90,91
22ypiA0.5285 4.03 0.12 0.76 0.14Download8,10,41,79,80,83,84,85,90,91,92,103

(a)Ranking of the analogs in the table is based on their BS-score. BS-score is calculated by first finding the structural analogs of the predicted model based on their TM-score, IDENa and Cov. of the structural alignment. The ligand(s) in the analog structure are then transferred onto the model and the fitness of the ligand-model complex (BS-score) is calculated by comparing the local structure and sequence similarity in the binding site region. (For detail, see Kucukural, Szilagyi, Ambrish, and Zhang, Template based ligand binding site prediction on modeled protein structure, 2009, in preparation).
(b) A BS-score of >0.5 signifies a binding site prediction with high confidence and vice-versa.
(c)RMSDa 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.
(f)The image shows the ligand-protein complex with the best BS-score. The ligand is depicted in magenta colored ball & stick, the predicted binding site residues interacting with the ligand are shown as transparent green spheres, while the N & C terminus in the model are marked by blue and red spheres respectively.



 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).