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I-TASSER results for job id S34189

  Submitted Sequence

>consensus
MEPVDPRLEPWKHPGSQPKTACTNCYCKKCCFHCQVCFITKGLGISYGRKKRRQRRRAPQ
DSQTHQVSLSKQPASQPRGDPTGPKESKKKVERETETDPVD

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100
                   |                   |                   |                   |                   |  
MEPVDPRLEPWKHPGSQPKTACTNCYCKKCCFHCQVCFITKGLGISYGRKKRRQRRRAPQDSQTHQVSLSKQPASQPRGDPTGPKESKKKVERETETDPVD
PredictionCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHCHHCCCCCCCCCC
Conf.Score98878888868898989887663420001314618887305654111443333467888888667784778888878889888630010221346579898

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score=-0.25
 C-score=-0.86
 C-score=-0.69
 C-score=-3.49
 C-score=-2.46
 
Estimated accuracy of Model1: 0.68±0.12 (TM-score)    4.5±3.0Å (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		CCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHCHHCCCCCCCCCC
MEPVDPRLEPWKHPGSQPKTACTNCYCKKCCFHCQVCFITKGLGISYGRKKRRQRRRAPQDSQTHQVSLSKQPASQPRGDPTGPKESKKKVERETETDPVD
11jfwA 0.93 0.79 0.85 5.32Download MEPVDPRLEPWKHPGSQPKTACTTCYCKKCCFHCQVCFTTKALGISYGRKKRRQRRRPPQGSQTHQVSLSKQPTSQPRGDPTGPKE---------------
21jfwA 0.93 0.79 0.85 9.52Download MEPVDPRLEPWKHPGSQPKTACTTCYCKKCCFHCQVCFTTKALGISYGRKKRRQRRRPPQGSQTHQVSLSKQPTSQPRGDPTGPKE---------------
32j2sA 0.18 0.17 0.65 0.74Download ------------GGSVKKGRQCPGCQVPEDCGVCTNCLDKPKFGGR-NIKKQCCKMRKCQN-------LQWMPSKAYLQKQAKAVK---------------
41jfwA 0.93 0.79 0.85 2.38Download MEPVDPRLEPWKHPGSQPKTACTTCYCKKCCFHCQVCFTTKALGISYGRKKRRQRRRPPQGSQTHQVSLSKQPTSQPRGDPTGPKE---------------
51jfwA 0.93 0.79 0.8510.53Download MEPVDPRLEPWKHPGSQPKTACTTCYCKKCCFHCQVCFTTKALGISYGRKKRRQRRRPPQGSQTHQVSLSKQPTSQPRGDPTGPKE---------------
61jfwA 0.93 0.79 0.85 9.06Download MEPVDPRLEPWKHPGSQPKTACTTCYCKKCCFHCQVCFTTKALGISYGRKKRRQRRRPPQGSQTHQVSLSKQPTSQPRGDPTGPKE---------------
71tacA 0.71 0.60 0.85 4.91Download LDPVDPNIEPWNHPGSQPKTASNRAHAKKSAYHSQVAFITKGLGISYGRKKRRQRRRPSQGGQTHQDPIPKQPSSQPRGDPTGPKE---------------
81jfwA 0.93 0.79 0.85 7.59Download MEPVDPRLEPWKHPGSQPKTACTTCYCKKCCFHCQVCFTTKALGISYGRKKRRQRRRPPQGSQTHQVSLSKQPTSQPRGDPTGPKE---------------
92f6jA 0.12 0.18 0.85 0.46Download ILQSEAELIDYVCPQSTEDATVLTPLTEKDYEGLKRVLRSLQAHKAWPFLEPVDPNDAP----DYYGVI-KEPDLAT----------EERVQRRYYEKLTE
101w0rA 0.17 0.17 0.98 0.81Download PCPVAGGWGPWGPVSPCPVTTCNHPFCHICNTAVP-CPVDGEWDSEWSPCIRRNMKSISCQEIPGQQSRGRTRGRKFDGHRAGQQQDIRHCYS-IQHCPLK
(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
10.7512 1.57 0.85 0.841jfwA
Model1
 
20.4597 4.27 0.04 0.831wdkA
Model1
 
30.4597 4.37 0.05 0.781u2jA
Model1
 
40.4475 4.63 0.02 0.801ccwB
Model1
 
50.4442 4.06 0.01 0.741tazA
Model1
 
60.4435 4.39 0.03 0.801t0qB
Model1
 
70.4428 4.55 0.08 0.821e6yA
Model1
 
80.4427 4.57 0.03 0.831zcjA
Model1
 
90.4424 4.52 0.01 0.782innA
Model1
 
100.4419 3.83 0.04 0.712olnA
Model1
 
Structural alignment using TM-align
 
MEPVDPRLEPWKHPGSQPKTACTTCYCKKCCFHCQV-CFTTKALGISYGRKKRRQRRRPPQGSQTHQVSLSKQPTSQPRGDPTGP-K-E------------- 
MEPVDPRLEPWKHPGSQPKTACTNCYCKKC-CFHCQVCFITKGLGISYGRKKRRQRRRAPQDSQTHQVSLSKQPASQPRGDPTGPKESKKKVERETETDPVD 
 
CPGFLVNRVLFPYFGGFAKLVSAGVDFVRIDKVMEKFG--WPMGPAYLMDVVGIDTGHHGRDVMAEGFPDRMKDDRRSAIDALYEAKRLGQKNGKGFYAYEKKLVDSSVLEVLKPIVYEQRDVTDEDI----INWMMIPLCLETVRCLEDGIVETAAEADM----------------G---LVYGI-GFPLFRGGALRYIDSIGVAE------FVALADQYAELGALY--HPTAKLREM-AK-NG-Q-S-FFG 
--------------------------------------MEP---------------------------------------------------------------------------------------VDPRLE-PW-KH--PGS--QPKTACT-------NCYCKKCCFHCQVCFITKGLGISYGRKKR-RQ-----RRR-APQD-SQTHQVSL-SKQ--PASQPRGDPTGPK--ESKKKVERETETDPVD- 
 
LIWQDPLPQPIYNPTEQDIID-----------------LKFA---I-A-DS-GLSVSELVSVAWASA---STFRGGDKRGGANGA----R-LA-LMPQ-RDWDVNAAAVRALPVLEKIQKES-------GKASLADIIVLAGVVGVEKAASAAGLSIHVPFAPGRVDARQDQTDIEMFELLEPIADGFRNYRARLDVSTTESLLIDKAQQLTLTAPEMTALVGGMRVLGANFDGSKNGVFTDRVGVLSNDFFVNLLDMRYEWKATDESKELFEGRDRETGEVKFTASRADLVFGSNSVLRAVAEVYASSDAHEKFVKDFVAAWVKVMNLDRFDLL 
---------------------MEPVDPRLEPWKHPGSQPKT-ACTNCYCKKCCFHCQVCFITKGLGISYGRKKR----RQRRRAPQDSQTHQVSLSKQPAS---QPRG-DPTG--PK-ES--KKKVERETETDPVD------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 
 
MELKNKKWTDEEFHKQREEVLQQWPTGKEVDLQEAVDYLKKIPAEKNFAEKLVLAKKKGITMAQPRAGVALLDEHIELLRYLQDEGGADFLPSTIDAYTRQNRYDECENGIKESEKAGRSLLNGFPGVNFGVKGCRKVLEAVNLPLQARHGTPDSRLLAEIIHAGGWTSNEGGGISYNVPYAKNVTIEKSLLDWQYCDRLVGFYEEQGVHINREPFGPLTGTLVPP--------SMSNAVGITEALLAAEQGVKNITVGYGECGNMIQDIAALRCLEE-QTNEYLKAYGYNDVFVTTVFHQWMGGFPQDESKAFGVIVTATTIAALAGATKVIVKTPHEAIGIPTKEANAAGIKATKMALNMLEGQRMP-MSKELETEMAVIKAETKCILDKMFELGKG--DLAIGTVKAFETGVMDIPFGPSKYNAGKMMPVRDNLGCVRYLEFGNVP----FTEE-IKNYNRERLQERAKFEGRDVSFQMVIDDIFAVGKGRLIGRPE--- 
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------M---E-------P-------------------------------VD------PRLEPWKHPGSQ-----------------------------PK--T---AC-TN-----------------------------------------------------------------------------------------CY---CKKCCFH-CQVCF-ITKGLG-----ISYG--RKK--R-------------RQRRRAPQDS------QTHQVSL--SKQPASQPRGDPTGP--KE--S----KKKV-ERETETD-------------PVD 
 
VGPTYSTAVLNCLKNLDLWCFDVFSL--NQAADDHA----------LRTIVFEL--LTRHNL-ISRF-KIPTVFLMSFLDALETGY---GKY-KNPYHNQIHAADVTQTVHFLLRTGMVHCLSEIELLAIIFAAAIHDYEHTGTTNSFHIQTKSECAIVYNDRSVLENHHISSVFRLMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKTMKTALQQRIDKPKALSL-LLHAA-DI- 
-----------------------M--EPV-------DPRLEPWKHPGS-QPKT-ACTN----CY---CKKCC-FHCQVCFITKGLGISYGR-KKRRQRR--RA--P--QD-------------------SQ--THQVS---------------------------LSKQPASQP--R-----GDPT-----------G--PK-E-------------------------SKKK-VERETETDPV-D 
 
ALKPLKTWSHLAGNRRRPSEYEVVSTN---------LH--YFTDNPERPWELDSNLPMQTWYKKYCFDSPLKHDDWN----AFRDPDQLVYRTYNLLQDGQESYVQGLFDQLNDRGHDQMLTREWVETLARFYTPARYLFHALQMGS----VYIHQIAPASTITNCATYETADHLRWLTHTAYRTRELANCYPDVGFGKRERDVWENDPAWQGFRELIEKALIAWDWGEAFTAINLVTKPAVEEALLQQLGSLAQSEGDTLLGLLAQAQKRDAERHRRWSSALVKMALEKEGNREVLQKWVAKWEPLADKAIEAYCSALPDGENAIVEAKSASRYVRQMMG---------------------- 
----------M----------E--PVDPRLEPWKHPGSQPKTAC-T-NC----YCKKCC-FHCQVCF-I-TKG-LGISYGRKKRR--QRRR--------------------------------------------------------APQDSQ-THQ------V--S---L-SKQ------------------------------------------P--AS-QPRG------------------------------------------------------------------------------------------------------------------DPTGPKESKKKVERETETDPVD 
 
AADIFSKFKKDMEVKFAQEFGSNKQTGGDITDKTAKFLRLGPEQDPRKVEMIKAGKEIAEKRGIAFYNPMMHSGAPLGQRAITPYTISGTDIVCEPDDLHYVNNAAMQQMWDDIRRTCIVGLDMAHETLEKRLGKEVTPETINHYLEVLNHAMPGAAVVQEMMVETHPALVDDCYVKVFTGDDALADEIDKQFLIDINKEFSEEQAAQIKASIGKTSWQAIHIPTIVSRTTDGAQTSRWAAMQIGMSFISAYAMCAGEAAVADLSFAAKAALVSMGEMLPARARGPNEPGGLSFGHLSDIVQTSRVSEDPAKIALE---------VVGAGCMLYDQIWLGSYMSGGVGF-TQYATAAYTDDILD---NNTYYDVDYINDKYNGAATVGKDNKVKASLEVVKDIATESTLYGIETYEKFPTALEDHFGGSQRATVLAAAAGVACSLATGNANAGLS-G--WYLSMYLHKEAWGRLGF--FFDLQDQGATNVLSYQGDEGLPDELRGPNYPNYAMNVGHQGGYAGIAQAAHSGRGDAFTVNPLLKVCFADDLLPFNFAEPRREFGRGAIREFVPAGERSLVIPA 
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------M-EP-VD-PRLEPWKHPGSQPKTACTNCY--CK-KC---CFHCQVCFI-TKG-LGISYGRKKRRQ--------------------------------------------------------------------RRR----APQ--DSQTHQVSLSKQPAS-----QPRGDPTGPKE-SKKKVERE----TETD--P----------------VD------------------------------------------------------------ 
 
GNCYGFVGNRMLAPYYNQGFFLLEEGSKPEDVDGVLEE--FGFKMGPFRVSDLAGLDVGWKIRKGQGLTGPSLPPGTPVRKRGNSRYSPLGDMLCEAGRFGQKTGKGWYQYDKPLGRIHKPDPWLSTFLSQYREVHHIEQRTISKE---EILERCLYSLINE-AFR----ILE---EGMAARPE-HIDVIYLHGYG-WPR---HKGGPMFYAA---SVG-LPT-VLE--KLQKYYRQNPDIPQLE----PSDYLRR---L--VAQGSPPLKEWQSLAGPHG 
--------------------------------------MEP---------------------------------------------------------------------------------------------------------VDPR-LEPWK--HPG-SQP-KTACTN-CYCKKCCFHC-QVCF-IT---KGLGISYGRKK--------RRQRRRAPQDSQT-HQVSLSKQ---PAS-QP-RGDPTGPK-ESKKKVERETETDPVD----------- 
 
KNKKLNLKDKYQYLTRDAWEPTYQDKKDIFPEEDFEGIKITDWSQWED-PFRLTDAYWKYQAEKEKKLYAIFDAFAQNNGHQNISDARYVNALKLFIS--------------GISPLEHAAFQGYSKVGRQFSGAGARVACQQAIDELRHSQTQQHASHYNKHFNGLHDGPHHDRVWYLSVPKSFFDDARSAG----PFEFLTAISFSFEYVLTNLLFVPFSGAAYNGDATVTFGFSAQSDEARHTLGLEVIKFILEQHEDNVPIVQRWID--KWF-----W--R-GFRLLSLVSDYLPNKVSWSEAWEVYYEQNGGALFKDLERYGIRPPKYQDVANDAKHHLSHQLWTTFYQYCQATNFHTWIPEKEEDWSEKYPDTFDKYYRPRYEYLAKEAAAGRRFYNNTLPQLCQVCQIPTIFTEKDAPTLSHRQIEHEGERYHFCSDGCCDIFKHEPEKYIQAWLPVHQIYQGNCEGGDLETVVQKYYHINIGEDNFDYVGSPDQKHWLSIK------ 
------------------------------------------------ME------------------------------------------------PVDPRLEPWKHPGSQPKT--ACT-------------------------------------------------N-CYCK-KCCFHCQVCF-ITKGLGISYGR-KKR--RQ--RRRAPQDSQ-----------------------------------------------------THQVSLSKQPASQPRGDPTGP-KE-------SKKKV-ERET-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ETDPVD 
 
ESYDVVVVGG-----GPVGLATAWQVAERGHRVLVLERHTFFNENGGTSGA--ERHWRL---QYT-QEDLFRLTLETLPLWRAL---ESRCERRLIHEIGSLWFGDTDVVTNEGQISGTAAMMDKLSVRYEWLKATDIERRFGFRGLPRDYEGFLQPDGGTIDVRGT-LAALFTLAQAAGATLRAGETVTELVPDADGVSVTTDRGTYRAGKVVL-----------ACGPYTNDLLEPLGARLA-------------YSVY-EMAIAAYRQATPVTEAPFWFAFQQPTPQDTNLFYGFGHNPWAPGEFVRCGPDFEVDPLDHPSAATGVADRRQMDRLSGWLRDHLPTVDPDPVRTSTCLAVLPTDPERQFFLGTARDLMTHGEKLVVYGAGWAFKFVPLFGRICADLAVEDSTAYDISRLAPQS 
----------MEPVDPRLEPWK-----------------------------HPGSQPKTACTNC-YCK-KCCFHCQVCFITKGLGISYG-RKK-R-------------------------------------------------------------------RQRR-RA----------------------------------------------PQDSQTHQVSLSKQP--------------ASQPRGDPTGPKESKKKVERE----------------------------------------------TET--------------------------------------------D---------------------------------P-VD----------------------------- 
 
(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.
10.4478 4.50 0.11 0.840.69571i9cD 5.4.99.1
 
20.4106 4.51 0.12 0.780.65663bdjA 1.17.1.4
 
30.3093 5.38 0.17 0.690.64281sb3C 1.3.99.20
 
40.4015 4.70 0.11 0.760.62171qssA 2.7.7.7
 
50.4428 4.55 0.08 0.820.61071e6yA 2.8.4.1
 
(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
10.4478 4.50 0.11 0.841i9cD 0.70 GO:0031419 GO:0043169 GO:0050097 GO:0050897 GO:0006113 GO:0006536 GO:0009056 GO:0009308 GO:0009310 GO:0009987 GO:0019665 GO:0019670 GO:0019752 GO:0044248
20.4342 4.35 0.10 0.772c5dB 0.63 GO:0005102 GO:0005509 GO:0043169 GO:0008283 GO:0009653 GO:0032501 GO:0040008 GO:0048869 GO:0050789 GO:0065007 GO:0005576
30.4342 4.35 0.10 0.772c5dB 0.63 GO:0005102 GO:0005509 GO:0043169 GO:0008283 GO:0009653 GO:0032501 GO:0040008 GO:0048869 GO:0050789 GO:0065007 GO:0005576
40.4149 4.86 0.10 0.831h0hK 0.62 GO:0005506 GO:0005509 GO:0008430 GO:0008863 GO:0009055 GO:0030151 GO:0043169 GO:0051539 GO:0006810 GO:0009987 GO:0022900 GO:0045333 GO:0005622 GO:0005623 GO:0005737 GO:0042597
50.3548 5.21 0.12 0.761kzlA 0.60 GO:0004746 GO:0006771 GO:0009058 GO:0009110 GO:0009231 GO:0009987 GO:0033554 GO:0042727 GO:0044249 GO:0051716 GO:0005622 GO:0005623 GO:0005634 GO:0005737 GO:0005829 GO:0043229
60.4249 4.29 0.09 0.781vljB 0.60 GO:0016491 GO:0046872 GO:0055114
70.3802 4.40 0.12 0.712b0jA 0.60 GO:0005488 GO:0018537 GO:0047068 GO:0009058 GO:0009061 GO:0009987 GO:0015947 GO:0015975 GO:0019386 GO:0043446 GO:0043447 GO:0055114
80.3664 5.16 0.11 0.773daqD 0.60 GO:0008840 GO:0008652 GO:0009058 GO:0009067 GO:0009309 GO:0009987 GO:0019877 GO:0043648 GO:0044249 GO:0046394 GO:0046451 GO:0005622 GO:0005623 GO:0005737
90.3828 4.50 0.11 0.757acnA 0.60 GO:0003994 GO:0005506 GO:0043169 GO:0051539 GO:0006084 GO:0006099 GO:0009056 GO:0009987 GO:0044248 GO:0046356 GO:0005622 GO:0005623 GO:0005737 GO:0005739 GO:0043229 GO:0044444
100.4334 4.56 0.09 0.771lykB 0.59 GO:0004601 GO:0005506 GO:0005509 GO:0016209 GO:0020037 GO:0043169 GO:0009056 GO:0009987 GO:0042221 GO:0042743 GO:0042744 GO:0044248 GO:0055114 GO:0005576

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00054880.498  GO:00099870.559  GO:00057370.418
GO:00038240.493  GO:00081520.493  GO:00444240.418
GO:00431670.438  GO:00442370.432  GO:00056230.418
GO:00468720.438  GO:00400080.253  GO:00444640.418
GO:00431690.378  GO:00060910.252  GO:00056220.418
GO:00469140.251  GO:00159800.252  GO:00432290.238
GO:00055090.248  GO:00551140.242  GO:00432310.238
GO:00164910.242  GO:00442480.189  GO:00432260.238
GO:00055060.182  GO:00090560.189  GO:00432270.238
GO:00051020.126  GO:00453330.183  GO:00444440.238

(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:
TRP:11  LYS:12  HIS:13  PRO:14  THR:64  HIS:65  GLN:66  
VAL:67  SER:68  GLN:72  PRO:73  ALA:74  SER:75  GLN:76  
PRO:77  ARG:78  GLY:83  PRO:84  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
12yy7A0.3569 5.13 0.12 0.70 0.32Download11,12,13,14,64,65,66,67,68,72,73,74,75,76,77,78,83,84
21kzlA0.3548 5.21 0.12 0.73 0.19Download7,8,9,10,11,68,69,70,71,72,73,74,75
31fo4A0.4013 4.53 0.09 0.70 0.15Download5,6,7,8,9,10,11,13,43,52,54,55,56,57,58,60,61,68,69,70,88,91,94,95
42e3tA0.3944 4.62 0.12 0.71 0.12Download5,6,7,8,9,10,11,13,43,52,54,55,56,57,58,60,61,69,70,88,91,92,94,95
51vljB0.4249 4.29 0.09 0.75 0.12Download15,16,17,18,19,20,21,22,23,24,25,26,28,30,31,33,37,45,46,47,100,101

(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).