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I-TASSER results for job id S34341

  Submitted Sequence

>LECT2
GPWANICAGKSSNEIRTCDRHGCGQYSAQRSQRPHQGVDVLCSAGSTVYAPFTGMIVGQE
KPYQNKNAINNGVRISGRGFCVKMFYIKPIKYKGPIKKGEKLGTLLPLQKVYPGIQSHVH
IENCDSSDPTAYL

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100                 120
                   |                   |                   |                   |                   |                   |              
GPWANICAGKSSNEIRTCDRHGCGQYSAQRSQRPHQGVDVLCSAGSTVYAPFTGMIVGQEKPYQNKNAINNGVRISGRGFCVKMFYIKPIKYKGPIKKGEKLGTLLPLQKVYPGIQSHVHIENCDSSDPTAYL
PredictionCCCCCCCCCCCCCCSSCCCCCCCCCSSCCCCCCSSCCSSSCCCCCCSSSSSSCSSSSSSSSCCCCCCCCCCCCCCCCCSSSSSSSSSSSSCCCCSSSCCCSSSSSCCCCCCCCCCCCSSSSSSCCCCCCCCCC
Conf.Score9735514689768667578888663321578956337677368999788641679998767378860211363161546789999987724798878775865541343106886777989833378873349

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score= 0.41
 C-score=-1.16
 C-score=-3.32
 C-score= 0.18
 C-score=-0.54
 
Estimated accuracy of Model1: 0.77±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                 120
                   |                   |                   |                   |                   |                   |             
Sec.Str
Seq		CCCCCCCCCCCCCCSSCCCCCCCCCSSCCCCCCSSCCSSSCCCCCCSSSSSSCSSSSSSSSCCCCCCCCCCCCCCCCCSSSSSSSSSSSSCCCCSSSCCCSSSSSCCCCCCCCCCCCSSSSSSCCCCCCCCCC
GPWANICAGKSSNEIRTCDRHGCGQYSAQRSQRPHQGVDVLCSAGSTVYAPFTGMIVGQEKPYQNKNAINNGVRISGRGFCVKMFYIKPIKYKGPIKKGEKLGTLLPLQKVYPGIQSHVHIENCDSSDPTAYL
11qwyA 0.21 0.26 0.95 2.02Download GPDASY-SGHAKDASWLTSRKQLQPYGQYHGGGAHYGVDYAMPENSPVYSLTDGTVVQAGWSGGNQVTIKEANSNYQWYMHNNRLT---VSAGDKVKAGDQIAYSGSTGNS---TAPHVHFQRMYAVDPTSYL
22gu1A 0.15 0.20 0.95 5.87Download NSLERAFNRYPVDKRQITSGFNPKKHPVTGRVVPHNGTDFATPIGAPVYSTGDGKVIRKHPYAGNYLVIEHNSVYKTRYLHLDKILVK---KGQLVKRGQKIALAGATGRL---TGPHLHFEVLVRNDAMKA-
31qwyA 0.19 0.26 0.95 3.28Download PDASYYSSGHAKDASWLTSRKQLQPYGQYHGGGAHYGVDYAMPENSPVYSLTDGTVVQAGWGGGNQVTIKEANSNYQWYMHNNRLTV---SAGDKVKAGDQIAYSGSTGNST---APHVHFQRMSGGDPTSYL
42gu1A 0.17 0.20 0.95 1.02Download RAFNRYPVDKAYRQITS-GFNPKRKHPVTGRVVPHNGTDFATPIGAPVYSTGDGKVIRKHPYAGNYLVIEHNSVYKTRYLHLDKILV---KKGQLVKRGQKIALAGATGRLT---GPHLHFEVLVRNDAMKAD
52gu1A 0.17 0.20 0.94 3.51Download --RAFNRYPVDKAYRQITSGFNPKKHPVTGRVVPHNGTDFATPIGAPVYSTGDGKVIVVRKHAGNYLVIEHNSVYKTRYLHLDKILV---KKGQLVKRGQKIALAGATGRLT---GPHLHFEVLVRNDAMKAD
62gu1A 0.15 0.20 0.95 6.67Download NSLERAFNRYPVDKRQITSGFNPKKHPVTGRVVPHNGTDFATPIGAPVYSTGDGKVIRKHPYAGNYLVIEHNSVYKTRYLHLDKILVK---KGQLVKRGQKIALAGATGRLT---GPHLHFEVLVRNRPVDAM
72gu1A 0.17 0.20 0.95 4.23Download LERAFNRYPVDKAYRQITSGFNPRKHPVTGRVVPHNGTDFATPIGAPVYSTGDGKVIVVRKYAGNYLVIEHNSVYKTRYLHLDKILVKK---GQLVKRGQKIALAGATGRL---TGPHLHFEVLVRNRPVDAM
82gu1A 0.15 0.20 0.94 6.34Download --LERAFNRYPVDKAQITSGFNPKKHPVTGRVVPHNGTDFATPIGAPVYSTGDGKVIRKHPYAGNYLVIEHNSVYKTRYLHLDKILVK---KGQLVKRGQKIALAGATGRLT---GPHLHFEVLVRNRPVDAM
91qwyA 0.21 0.26 0.95 2.86Download GPDAYYSSGHAKDASWLTSRKQLQPYGQYHGGGAHYGVDYAMPENSPVYSLTDGTVVQAGWGGGNQVTIKEANSNYQWYMHNNRLTV---SAGDKVKAGDQIAYSGSTGNST---APHVHFQRMSGGDPTSYL
101qwyA 0.21 0.26 0.95 2.02Download GPDASY-SGHAKDASWLTSRKQLQPYGQYHGGGAHYGVDYAMPENSPVYSLTDGTVVQAGWSGGNQVTIKEANSNYQWYMHNNRLT---VSAGDKVKAGDQIAYSGSTGNS---TAPHVHFQRMYAVDPTSYL
(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
10.8190 1.60 0.18 0.901qwyA
Model1
 
20.7880 2.52 0.16 0.942gu1A
Model1
 
30.7610 2.08 0.15 0.872hsiA
Model1
 
40.6773 2.84 0.12 0.863csqA
Model1
 
50.6320 3.57 0.11 0.881gprA
Model1
 
60.6071 3.51 0.09 0.831o2fA
Model1
 
70.6069 3.58 0.11 0.842gprA
Model1
 
80.5491 4.00 0.04 0.801lf6A
Model1
 
90.5383 3.78 0.03 0.771ug9A
Model1
 
100.5221 4.17 0.04 0.801oacA
Model1
 
Structural alignment using TM-align
 
GQTYVNPATAGDNNDYTASQSQQHINQYGYQSNVGPDASYYS------SG-HAKDASWLTSRKQLQPYGQYHGGGAHYGVDYAMPENSPVYSLTDGTVVQAGWSNYGGGNQVTIKEANSNNYQWYMHNNRLTVS---AGDKVKAGDQIAYSGSTGNST---APHVHFQRMSGGIGNQYAVDPTSYLQ 
------------------------------------------GPWANICAGKSSNEIRTCDRHGCGQYSAQRSQRPHQGVDVLCSAGSTVYAPFTGMIVG-Q-EK-PYQNKNAINNG-VRISGRGFCVKMFYIKPIKYKGPIKKGEKLGTLLPLQKVYPGIQSHVHIENCDS-------SDPTAYL- 
 
RIHYMVKVGDTLSGIFAQLGVPYSILQKILSVDLDHLQLDMIQPGEELELMMDDMGQLSRLIYHMSIVEKAIYTRENDGSFSYDFQEISGEWREILFSGEINGSFSVSARRVGLTSSQVANITQVMKDKIDFSRSLRADRFDILVKQQYLGEHNTGNSEIKAISFKLAKGDVSAFLAEDGRFYDRAGNSLERAF-NRYPVDKAYRQITSGFNPKRKHPVTGRVVPHNGTDFATPIGAPVYSTGDGKVIVVRKHPYAGNYLVIEHNSVYKTRYLHLDKILVK---KGQLVKRGQKIALAGATGRLT---GPHLHFEVLVRNRPVDAMKADLP- 
-------------------------------------------------------------------------------------------------------------------------G--P--------------------------------------------------------W-------ANICAGKSSNEIRTCDRHGCGQYS-AQRS----QRPHQGVDVLCSAGSTVYAPFTGMIVGQE-KP-YQNKNAINNGVRISGRGFCVKMFYIKPIKYKGPIKKGEKLGTLLPLQKVYPGIQSHVHIENCDS-S-DPTAY----L 
 
SFIMRLLNKPVPGGVAVVDLGEEGPPPRAFYQGKPVLVVREEGRRWIAVVGIPLSTKPGPQKLEVRAATGNHEERFSVGSKPEDLKRIERELAEQTAAYRRFSPGLPSNL-MLD-K-PVDGPLSS-PF-------PHSGLDFAVPAGTPIKAPAAGKVILIGDYFFNGKTVFVDHGQGFISMFCHLSKIDVK---LGQQVPRGGVLGKVGATGRAT---GPHMHWNVSLNDARVDPAIFIGAFQ 
------------------------------------------------------------------------------------------------------GPWANICAGKSSNEIRTCDRHGCGQYSAQRSQRPHQGVDVLCSAGSTVYAPFTGMIVGQE-KP-YQNKNAINNGVRISGRGFCVKMFYIKPIKYKGPIKKGEKLGTLLPLQKVYPGIQSHVHIENCDS-S-DPTA-YL---- 
 
MVYVSNKYLTMSEMKVNAQYILNYLSSNGWTKQAICGMLGNMQSESTINPGLWQNLDEGNTSLGFGLVQWTPASNYINWANSQGLPYKNMDSELKRIIWEVNNNAQWINLRDMTFKEYIKSTKTPRELAMIFLASYERPANPNQPERGDQAEYWYKNL-SL-QLAQFP-MD--II-NISQGE-NGSFSHKGTLCIDFVGKTEKYPYYAPCDCTCVWRGDASA-YLAWTSDKEVMCADGSVRYITWVNVHESPLPF---DVGKKLKKGDLMGHTGIG-------GDHWHFNVIDGKEYQGWTKKPDSCLAGTELHIYDVFAVNNVEIINGNGYDWKTSDWQDG 
--------------------------G-P---------------------------------------------------------------------------------------------------------------------------------WANICAGKSSNEIRTCDRHGCGQYSAQRS-QRPHQGVDVLC-SAGSTVYAPFTGMIVGQEKPYQNKNAINN-GV---------RISGRGFCVKMFYIKPIKYKGPIKKGEKLGTLLPLQKVYPGIQSHVHIENCD-----------------SSDPTA--Y-L--------------------- 
 
--EPLQNEIGEEVFV-S-PITGEIH--PITDVPDQVFSGKMMGDGFAILPS-EGIVVSPVRGKILNVFP-TKHAIGLQSDGGREILIHFGIDTVSLKGEGFTSFVS---EGDRVEPGQKLLEVDLDAVKP--NV--PSLMTPIVFTNLAEGETVSIKASGSVNREQEDIVKIE- 
GPWANIC---AGKSSNEIRTCDRHGCGQYSAQRSQ--RPH---QGVDVLCSAGSTVYAPFTGMIVGQEKPYQNKNAINNGVRISGRGFCV----------KMFYIKPIKYKGPIKKGEKLGTL-L--PL-QKVYPGIQSHVHIENC-DS--SDPT--------------AY--L 
 
------TI-EII-APLS-GEIV-NI--EDVPDVVFAEKIVGDGIAIKPT-GNKMVAPVDGTIGKIFE-TNHAFSIESDSGVELFVHFGIDTVELKGEGFKRIAE---EGQRVKVGDTVIEFDLPLLEEK--AK---STLTPVVISNMDEIKELIKLSGSVTVGETPVIRIKK 
GPWANICAGKSSNEIRTCDRHGCGQYSAQRSQR---PH--Q-GVDVLCSAGSTVYAPFTGMIVGQEKPYQNKNAINNGVRISGRGFCV----------KMFYIKPIKYKGPIKKGEKLGTL-L--PL--QKVYPGIQSHVHIENCD--SS-DPTA----------YL----- 
 
MWFFN------KNLKVL-APCD-GTIITLDEVE-DEVF---KERMLGDGFAINPK-SNDFHAPVSGKLVTAFP-TKHAFGIQTKSGVEILLHIGLDTVSLDGNGFESFVT--QDQEVNAGDKLVTVDLKSVAKK--VP---SIKSPIIFTNNGGKTLEIVKMGEVKQGDVVAILK 
-----GPWANICAGKSSNEIRTCDRHGCGQYS-AQ---RSQRPH---QGVDVLCSAGSTVYAPFTGMIVGQEKPYQNKNAINNGVRISGRGFCV---------KMFYIKPIKYKGPIKKGEKLGTL-L--PL--QKVYPGIQSHVHIEN-CDS-SDP-TA----------YL--- 
 
SIKIDRFNNISAVNGPGEEDTWASAQKQGVGTANNYVSKVWFTLANGAISEVYYPTI------DTADVKEIKFIVTDGKSFVPDETKDAISKVEKFTDKSLGYKLVNTDKKGRYRITKDIF-TDVK------RNSLIMKAKFEALEGSIHDYKLYLAYDPHIKNQGSYNEGYVIKANNNEMLMAK-RDNVYTALSSNIGWKGYSIGYYKVNDIMTDLDENKQMTKH-YDSARGNI-IEGAEIDLTKNS--------EFEIVLSFGQSDSEAAK-TALETLGEDYNNLKNNYIDEWTKYCNTLNNFNGKANSLYYNSMMILKASEDKTNKGAYIASLSIPWGDGQRDDNTGGYHLVWSRDLYHVANAFIAAGDVDSANRSLDYLAKVVKDNGMIPQNTWISGKPYWTGIQLDEQADPIILSYRLKRYDLYDSLVKPLADFIIKIGPKTGQERWEEIGGYSPATMAAEVAGLTCAAYIAEQNKDYESAQKYQEKADNWQKLIDNLTYTENGPLGNGQYYIRIAGLSDPDADFMINIANGGGVYDQKEIVDPSFLELVRLGVKSADDPKILNTLKVVDSTIKVDTPKGPSWYRYNHDGYGEPSKTELYHGAGKGRLWPLLTGERGMYEIAAGKDATPYVKAMEKFANEGGIISEQVWEDTGLPTDSASPLNWAHAEYVILFASNIEHKVLDMPDIVYKRYVA-- 
---------------------------------------------------------GPWANICAGKSSNEIR------------T----------------C-D------------RHGCGQYSAQRSQRPHQGVDVLCSA-----------GSTVYAPF----T--GMIVGQEKPYQNKNAINNGVRISGRGFC--VK-MFYIK------------------P-IKYKGPIKKGEKLGTLLP----LQKVYPGIQSHVHIENCDS--S---DP--------------------------------------------------T---------A---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YL 
 
TAEPPGSPGAAATWTKGDKEGVGTSLNPASKVWYTLTEGTMSEVY------YPHADTPNTREL-QFAVSDGTSAQRESEQTTRTVELADPKALSYRQTTTDNAGRWRLTKTYV-TDPR------RSTVMLGVTFEVLDGGDYQLFVLSDPSLAGTSGGDTGSVTD----GALLASDLADAATPVATALVSSVGFGAVANGYVGTSDGWTDLAADGRLDNASATAGPGNI-SQTGQIPLAAGGK-------TEFSLALGFGADTAEALA-TAKASLGTGYKKVSKSYTGEWKKYLNSL---- 
---------------------------------------------GPWANIC----AGKSSNEIRT-----------------------------CD------------RHGCGQYSAQRSQRPHQGVDVLCSA---------GSTVYAPF-----T-GMIVGQEKPYQNKNAINNGV----RISGRGFC--VK-MFYIK------------------PIKYKGP-IKKGEKLGTLLP-----LQKVYPGIQSHVHIENCDS--S---DP---------------------------TAYL 
 
PAVKPMQIIEPEGKNYTITGDMIHWRNWDFHLSMNS-------------------------------------------------------RVGPMISTVTYNDNGTKRKVMYEGSLGGMIVPYGDPDIGWYFKAYLDSGDYGMGTLTSPIARGKDAPSNAVLLNETIADYTGVPMEIPRAIAVFERYAGPEYKHQEMGQPNVSTERRELVVRWISTVGNDYIFDWIFHENGTIGIDAGATGIEAVKGVKAKTMHDETAKDDTRYGTLIDHNIVGTTHQHIYNFRLDLDVDGENNSLVAMDPVVKPNTAGGPRTSTMQVNQYNIGNEQDAAQKFDPGTIRLLSNPNKENRMGNPVSYQIIPYAGGTHPVAKGAQFAPDEWIYHRLSFMDKQLWVTRYHPGERFPEGKY-----PNRSTHDTGLGQYSKDNESLD---------NTDAVVWMTTGTTHVARAEEWPIMPTEWVHTLLKPWNFFDETPTLGALK---- 
------------------------------------GPWANICAGKSSNEIRTCDRHGCGQYSAQRSQRPHQGVDVLCSAGSTVYAPFTGMIVGQEKP--------------YQNKNAINNG------------------------------------------------------------------------------------------------------------------------------------------------------------VRISGRGFC-------------------------------------------------------------------------------------------------------------VKMFY-----IKPIKYKGPIK-KGEKL-GTL-------LPLQKVYPGIQSHVHIENCDS----------------SDP------------------TAYL 
 
(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.
10.8190 1.60 0.18 0.901.39981qwyA 3.4.24.75
 
20.7938 1.63 0.17 0.881.32662b44A 3.4.24.75
 
30.5988 3.48 0.11 0.830.87811ax3A 2.7.1.69
 
40.6085 3.47 0.09 0.830.83721o2fA 2.7.1.69
 
50.5354 3.67 0.09 0.770.74062c10D 1.4.3.6
 
(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
10.7923 1.62 0.17 0.882b44B 1.33 GO:0004175 GO:0004222 GO:0008270 GO:0043169 GO:0006508 GO:0007047 GO:0009405 GO:0034960 GO:0043283 GO:0044237 GO:0005576
20.7880 2.52 0.16 0.942gu1A 1.27 GO:0004175 GO:0004222 GO:0006508 GO:0009987 GO:0034960 GO:0043283 GO:0044237
30.7653 2.40 0.17 0.902gu1A 1.25 GO:0004175 GO:0004222 GO:0006508 GO:0009987 GO:0034960 GO:0043283 GO:0044237
40.7662 2.07 0.15 0.882hsiB 1.22 GO:0004175 GO:0004222 GO:0006508 GO:0009987 GO:0034960 GO:0043283 GO:0044237
50.7667 2.08 0.15 0.882hsiB 1.22 GO:0004175 GO:0004222 GO:0006508 GO:0009987 GO:0034960 GO:0043283 GO:0044237
60.6320 3.57 0.11 0.881gprA 0.93 GO:0005351 GO:0005355 GO:0005402 GO:0008982 GO:0015293 GO:0016301 GO:0016773 GO:0022892 GO:0007154 GO:0009401 GO:0015758 GO:0065007 GO:0005623 GO:0005886 GO:0016021
70.6069 3.58 0.11 0.842gprA 0.90 GO:0005351 GO:0005402 GO:0015293 GO:0016301 GO:0022892 GO:0051119 GO:0007154 GO:0008643 GO:0009401 GO:0065007 GO:0005622 GO:0005623 GO:0005737 GO:0016020
80.6088 3.47 0.09 0.832f3gB 0.84 GO:0005351 GO:0005402 GO:0005515 GO:0008270 GO:0015293 GO:0016301 GO:0022892 GO:0043169 GO:0051119 GO:0007154 GO:0008643 GO:0009401 GO:0065007 GO:0005622 GO:0005623 GO:0005737 GO:0005739 GO:0005829 GO:0016020 GO:0043229
90.4870 3.73 0.10 0.701jovA 0.71 GO:0016853 GO:0030246 GO:0005975
100.5097 4.08 0.07 0.771ulvA 0.69 GO:0004339 GO:0030246 GO:0005976 GO:0009056 GO:0016052 GO:0043283

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00042220.629  GO:00099870.895  GO:00056230.663
GO:00041750.629  GO:00432830.697  GO:00056220.570
GO:00054880.356  GO:00442370.629  GO:00057370.505
GO:00152940.267  GO:00065080.629  GO:00160200.267
GO:00054020.267  GO:00349600.629  GO:00432290.215
GO:00511190.267  GO:00507940.267  GO:00057390.215
GO:00228920.267  GO:00512340.267  GO:00432310.215
GO:00228910.267  GO:00071650.267  GO:00432260.215
GO:00163010.267  GO:00071540.267  GO:00432270.215
GO:00151440.267  GO:00086430.267  GO:00444440.215

(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:
GLN:25  TYR:26  SER:27  GLN:29  PRO:34  HIS:35  GLN:36  
GLY:37  VAL:38  ASP:39  VAL:40  CYS:42  ARG:78  GLY:79  
PHE:80  CYS:81  LEU:105  LEU:106  PRO:107  VAL:111  GLN:116  
SER:117  HIS:118  VAL:119  HIS:120  ILE:121  GLU:122  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11nj1A0.4285 4.11 0.09 0.68 0.51Download25,26,27,29,34,35,36,37,38,39,40,42,78,79,80,81,105,106,107,111,116,117,118,119,120,121,122
22rhsC0.4460 4.09 0.09 0.70 0.19Download35,36,60,63,66,78,79,80,81,110,111,115,120,122
32i4mB0.4731 4.48 0.07 0.77 0.15Download35,36,38,39,63,66,67,76,77,78,79,80,81,119,120,121,122,123,124
41jjcA0.4528 3.84 0.08 0.70 0.10Download35,36,63,66,76,77,78,79,80,81,82,118,119,120,122,123,124,125,126,127,129

(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).