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I-TASSER results for job id S34199

  Submitted Sequence

>serovar
MQTSRISSFFRGLVHLYRWAISPFLGAPCRFFPTCSEYALVALKKHPLRKSLFLIAKRLL
KCGPWCIGGIDLVPRTSVEEYLSSPTPLAESPDDRTVPHTQETS

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100
                   |                   |                   |                   |                   |     
MQTSRISSFFRGLVHLYRWAISPFLGAPCRFFPTCSEYALVALKKHPLRKSLFLIAKRLLKCGPWCIGGIDLVPRTSVEEYLSSPTPLAESPDDRTVPHTQETS
PredictionCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score94319999999999999998086669988756778999999999819499999999999945889878879699877631247778899987668898875779

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score=-4.03
 C-score=-4.20
 C-score=-4.25
 C-score=-4.58
 C-score=-4.84
 
Estimated accuracy of Model1: 0.28±0.09 (TM-score)    13.3±4.1Å (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		CCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHHCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MQTSRISSFFRGLVHLYRWAISPFLGAPCRFFPTCSEYALVALKKHPLRKSLFLIAKRLLKCGPWCIGGIDLVPRTSVEEYLSSPTPLAESPDDRTVPHTQETS
11v4rA 0.15 0.15 0.89 0.88Download MYKAPEGKGYADVATHFRTLISGELAPGDTL-PS----VADIRAQFGVAAKTVSRALAVLKSEGLGALGT--VEKNPIVITGADRLKRMEKNGMRYAPGE----
22rg8A 0.16 0.17 0.48 0.63Download LDTPRAPQLVGQFIRVGDGILCNTYIDSYKGTVDCV-QARAALDKATVLLS-----------------------------------------------------
32e0gA 0.12 0.19 0.90 0.83Download -SLSLWQQCLARLQDEFSMWIRPLSDNTLAYAPN--RFVLDWVRDK-----YLNNINGLLT--SFCGADAPQLRFEVGTKPVTQTPQAAVTSNVAAPAQVAQTQ
41v3fA 0.06 0.26 0.95 0.68Download GSSGSSG-----LHRIVDKMHDTSTGIRPSTYKKTGSSLVDWLISSNFALEAVTLASMLMEENFLRPVGVRSMGAIRSGDLAEQFLAESYKKKVSSKESGPSSG
51cy0A 0.10 0.16 0.81 0.97Download FG---VKKTMMMAQRLYEAGYITYMRTDSTNLS----------------QDAVNMVRGYIS-DNFGKKYLPESPNQYASKENSQEAHEAIRPSDVNVMAESLKD
62jeoA 0.08 0.16 0.50 0.53Download DLEQILTQYTTFVKPAFEEFCLPTKKYADVIIPRGVMVAINLIVQ---------HIQDILI-------------------------------------------
72pg4A 0.13 0.15 0.86 0.49Download ----DDETLRLQFGHLIRILPTLLEFEKKGYEPSLAEIVKAS---GVSEKTFFGLKDRLIRAG--------LVKEETLSYRVKTLKLTEKGRRLAECLEKCRDV
81v90A 0.50 0.11 0.08 0.62Download ---------------------------SCRSMPYC---------------------------------------------------------------------
92a7oA 0.11 0.23 0.91 0.45Download LAKKSKEVFRKEMSQFIVQCLNPYRKPDCKVGRITT---TEDFKHLARKLTHGVMNKELKYCNPEDLECNENVKHKTKEYIKKYMQKFGAVYKPKEDT------
102e1mA 0.18 0.20 0.93 0.80Download MTYEQLARELLLKLRYLDVLIDNGLNPP-RL-PSFHPLTLALIDKLGLKRRLFFNV-----IDPQTGNQDAPVPPVFYKSFKDGKTWTNGAPSPEFKEPDKRTY
(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
10.5897 3.60 0.01 0.921szqA
Model1
 
20.5624 3.43 0.09 0.872hp0A
Model1
 
30.5460 3.67 0.06 0.851e6yA
Model1
 
40.5381 3.68 0.10 0.842ezvA
Model1
 
50.5292 3.82 0.07 0.862fqzA
Model1
 
60.5242 3.76 0.07 0.842gshA
Model1
 
70.5198 4.11 0.07 0.881jdrA
Model1
 
80.5169 3.62 0.08 0.771nyqA
Model1
 
90.5161 3.90 0.04 0.831b80A
Model1
 
100.5137 3.10 0.07 0.712zy2A
Model1
 
Structural alignment using TM-align
 
EFDREIVDIVDYVNYEISSKVAYDTAHYCLLDTLGCGLEALEYPACKKLLGPIVPGTVVPNGVRVPGTQFQLDPVQAAFNIGAIRWLDFNDTWLAAEWGHPSDNLGGIL-ATADWLSRNAVASGKAPLTKQVLTAIKAHEIQGCIALENS-FNRVGLDHV--LLVK--VASTAVVAELGLT---------REEILNAVSLAWVDGQS---LRTYRHAPNTGTRKSWAAGDATSRAVRLALAKTGEGYPSALTAPVW-GFYDVSFKGESFRFQRPYGS---------------YVENVLFKIYPIGHARRRQDGIPKLVDKFKINLARQFPTRQQQRILEVSLDRARLEQPVNEYLDLYVI 
-------------------------------------------------------------------------------------------------------------MQTSR-I--------------SS-FFRGLVHLYRWAISPFLGAPC-RFF--PTCS--EYA------------LVALKKHPLRK-SLFLIAKRLLKCGPWCIGG--------------ID-LVPR--TS-VEE--YLSS--P------TP-------------------LAESPDDRTVPHTQETS------------------------------------------------------------------ 
 
HFTTKLAEKVVSAWKAKISQPALKAAQDGVIDTVAAALGGVTEHSVQVALKYVAATGGSGDSKLWGVNQRSNFDAAFVNGAAHAIDFDDSFPVRGHPSSSLVPAIFAVGEHVGANGHNCLKSYVLGIEVVATLGRAVGKGHYLAGWHPTS-TLGV--FGAT---TAAALLLGAD----EEQLRNA-WGIAASNSCGIIKN---FGTTKPHTGSAARNGVLS-AWLSQSFTGCQTVFDDAEGILAYGAQPGPELFNAQKFGTPWA-------------IIAPGLYKKSWPDDAHLERKFKDCTAWPFGESGLLFDRLRSLTADQGIKTVQP-- 
----------------------------------------------------------------------------------------------------------------MQTS-RISSFFRGLVHLYRWAISPFLGA-P---CRFFPTCS--EYA---LVAL---------KKHPLRKSLFLIA-KRLLKCGP----WCIG---G-IDL-VPR-TSV-EEY-L--SSP---------------------------------TPLAESPDDRTVPH--TQE-----------------------------------------------TS 
 
AADIFSKFKKDMEVKFAQEFGSNKQTGGDITDKTAKFLRLGPEQDPRKVEMIKAGKEIAEKRGIAFYNPMMHSGAPLGQRAITPYTISGTDIVCEPDDLHYVNNAAMQQMWDDIRRTCIVGLDMAHETLEKRLGKEVTPETINHYLEVLNHAMPGAAVVQEMMVETHPALVDDCYVKVFTGDDALADEIDKQFLIDINKEFSEEQAAQIKASIGKTSWQAIHIPTIVSRTTDGAQTSRWAAMQIGMSFISAYAMCAGEAAVADLSFAAKAALVSMGEMLPARARGPNEPGGLSFGHLSDIVQTSRVSEDPAKIALEVVGAGCMLYDQIWLGSYMSGGVG--FTQYATAAYTDDILDNNTYYDVDYINDKYNGAATVGKDNKVKASLEVVKDIATESTLYGIETYEKFPTALEDHFGGSQRATVLAAAAGVACSLATGNANAG-LS--GWYLSMYLHKEAWGR-LGFFFDLQDQGATNVLSYQGDEGL-PDELRGPNY--------------PNYAMNVGH--QGGYAGIAQAAHSGRGDAFTVNPLLKVCFADDLLPFNFAEPRREFGRGAIREFVPAGERSLVIPA--- 
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MQTSRISSFF--R---------------------------------------------------------------------G-LVHLYRWAISPFL--GAPCRFFPTCSEYALVALKKH--PLRKSLFLIAKRLLKC--GP---------WCIGGIDLV-PRTSVEEYLSSPTPLAESP----DDRT-VPH--TQ-------------------------------------------------------ETS 
 
MHQDYRELSLDELESVEKQTLRTIVQALQQYSKEAKSI-FETTAADSSGE--VIVLAEDITQYALE-VAETYPINRRFAGFIDYKRVRWLPSPHGLLPQVLLVDAKASTEKNRDTLQRSQLPMDAEFRNTSSGEVVTMEAGVIPHLMLQSANDGVLPAVTTSIF-VHFYYRELKEGRYRELKS-IYVLSLPHARLKQRYNPDPDTSFFGAGKHSPARGEVA---------RIRVYFDRLKEACPWRLQELHYSADSEYTQPRWRDLNDAGHEVTKEFLFLER 
-----------MQTSRISSFFRGLVHLYRWAISPFLG-APC---------RFFP-TCSEYALVALKKHPLR-KS---------LFL-------------IAKRLL---------------------------------------------------------KCGPWC-------------IGGIDLVPRTSVE---------------------------EYLSSPTPLAESPDDR---------T-VPH--------TQ---------------ETS--- 
 
LSPGEFKTLISKERKSHFITPFA-LVYKTFCDLGYDQKNSDYFLNNPSEYIIAMRKNCWKEFEP---F--E-----------------KEFTTR----------ML-SYLIDEERIKDMSPYDAIRDFTMEYPTH---------IYDL-ALSNTQSRRSRAGKEFESILELLMMGAGIPVDVQGAIIGKLVDLVMPGVVQYTSNKRNTMLISAKTTLRERWQEVPEEVNRTGIREMYLATLDDSFSEETINILYEANVVVVTTVENKNFKYKNNNRVLTFEDMLQSAMELSRKWNNVSYTDSEKEEIQQSILKQIEKYSDFPYVVNYYRNRLSA-- 
MQTSRISSFFRGLVHLYRWAISPFLG---------------------------A---PCR--FFPTCSEYALVALKKHPLRKSLFLIAKRLLKCGPWCIGGIDLVPRTSVEEY----------------------LSSPTPLAESP--DDR--TV-P-HT--QE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------TS 
 
NIMTLPKIKHVRAWFIGGATAEKGAGGGDYHDQGGNHWIDDHIATPMSKYRDYEQSRQSFGINVLGTLIVEVEAENRQTGFAVSTAGEMGCFIVEKHLN-RFIEGKCVSDIKLIHDQMLGATMY-YSGS--GGLVMNTISCVDLALWDLFGKVVGLPVYKLLGGAVRDEIQFYATGARPDLAKEMGFIGGKMPTHWGPHDGDAGIRKDAAMVADMREKCGPDFWLMLDCWMSQDVNYATKLAHACAPFNLKWIEECLPPQQYEGYRELKRNAPAGMMVTS--------GEHHGTLQSFRTLAETGIDIMQPDVGWCGGLTTLVEIAALAKSRGQLVVPHGSSVYSHHAVITFTNTPFSEFLMTSPDCSTLRPQFDPILLDEPVPVNGRIHKSVLDKPGFGVELNRDCHLK---RP-YSH- 
----------------------M-------QT------------------------------SRISS------------------FFRGLVHLYR-WAISPFLGAPCR-FFPTCSEYALVALKKHPLRKSLFLIAKRLLKCGP-WCIGGI----------------------------------------------------------------------------------------------------------------------------------DLVPRTSVEEYLSSP--------------------T-PL--A--------------------ES------------------------------------------------------P-DDR-------TVPH-TQETS 
 
TTPLVHVASVEKGRSYEDFQKVYNAIALKLRED-DEYDNY-------------IGYGPVLVRLAWHTSGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQG-----------P--KIPWRCGRVDTPEDTTPDNGRLPDADKDADYVRTFFQRLNMNDREVVA-LMGAHTLGKTHLKNSGYEGPWTANNNVFDNSFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTL---EEQG-L------- 
--------------MQTSRISSFFRGLVHLYRWAISP--FLGAPCRFFPTCSEYA-LVAL-K------------------------------------K--HP--L---------------RKSLFLIAKRLLKCGPWCIGGIDLVPRTSVEEY-------------------------------------------LS-SP-----------------------TPL----------------------------------------------------------A------------------------------ESPDD-RTVPHTQETS 
 
INIQFPDGNKKAFDKGTTTEDIAQSISPGLRKKAVAGKFNGQLVDLTKPLETDGSIEIVTPGSEEALEVLRHSTAHLMAHAIKRLYGNVKFGVGPVIEGGFYYDFDIDQNISSD--DFEQIEKTMKQIVNENMKIERKVVSRDEAKELFSNDEYKLELIDAIPEDENVTLYSQGDFTDLCRGVHVPSTAKI-K--EFK--LLSTAGAYWRGDSNNKMLQR-IY-GT--AFFDKKE-L-KAH--LQMLEERKERDHRKIGKELELFTNSQLVGAGLPLWLPNGATIRREIERYIVDKEVSMGYDHVYTPVLANVDLYKTSGHWDHYQEDMFPPMQLDETESMVLRPMNCPHHMMIYANKPHSYRELPIRIAELGTMHRYEASGAVSGLQRVRGMTLNDSHIFVRPDQIKEEFKRVVNMIIDVYKDFGFEDYSFRLSYRDPEDKEKYFDDDDMWNKAENMLKEAADELGLSYEEAIGEAAFYGPKLDVQVKTAMGKEETLSTAQLDFLLPERFDLTYIGQDGEHHRPVVIHRGVVSTMERFVAFLTEETKGAFPTWLAPKQVQIIPVNVDLHYDYARQLQDELKSQGVRVSIDDRNEKMGYKIREAQMQKIPYQIVVGDKEVENNQVNVRQYGSQDQETVEKDEFIWNLVDEIRLKKHR--------- 
----------------------------------------------------------M---QTSRISSFFRGLVHLYRWAISPFL-G------------------A--PCRFFPTCSEYALVALKKH-P-L-------------------------------------------------------RKSLFLIAKRLLKCGPWC-------------IGGIDLVPRTSVEEYL-SSPT--PLAE-S--P-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DDR-------------------------------------------------------------------------------------------------------------------------------------------------------------------TVPHTQETS 
 
VIEKRATCSNGKTVGDASCCAWFDVLDDIQQNLFHGGQ-CGAEA--HESIRLVFHDSIA-ISPAMEAQGK--FGGGGA---D-GSI---MI--FDDIETAFHPNIG-LDEIVKLQKPFVQKHGVTPG-----DFIAFAGAVALSNCPGAPQMN--------------FFTGRAPATQPAPDGLVPEPFHTVDQIINRVNDAGEFDELELVMLSAHSVAAVNDVDPTVQGLPFDSTPGIFDSQFFVETQLRGTAFPGSGGNQGEVESPLPGEIRIQSDHTIARDSRTACEWQSFVNNQSKLVDDFQFIFLALTQLGQDPNAMTDCSDVIPQSKPIPGNLPFSFFPAGKTIKDVEQACAETPFPTLTTLPGPETSVQRIPPPPGA--- 
--------------------------------------MQ----TSRISSF-FRGLVHLYRW--------AISPFL--GAPCRF--FPTCSEYALVALKKHP-LRKSLFLIAKRLL--K----CGPWCIGGIDLVPRT--SV-----------EEYLSSPTPLAESPDDRTVP--------------------------------------------------------------------------------------------------------------------------------------------HTQ-------------------------------------------------------------------ETS 
 
SPFELKDELIKVASGKANRLMLNAGRGNPN--FLA--TTPRRAFFRLGLFAAAESELSYSYMTVGVGGLAK-LDGIEGRFERFIAEHRDQEGVKFLGKS-LSYVRDQLGLDPAAFLHEMVDGILGCNYPVPPRMLTVSEQIVRQYIVREMAGGAVPPESVDLFAVEGGTAAMAYIFESLRISGLLKAGDKVAIGMPVFTPYIEIPELAQYDLKEVPIHADPDNGWQYSDAELDKLKDPDVKIFFCVNPSNPPSVKMDQRSLDRVRAIVAEQRPDLLILTDDVYGTFADEFQSLFSVCPRNTLLVYSFSKYFGATGWRLGVIAAHKDNVFDHALSQLPESAKKALDHRYRSLLPDVRSLKFIDRLVADSRVVALNHTAGLSTPQQVQMVLFSLFALMDEADAYKQALKQLIRRREATLYRELGMPPLENPNSVNYYTLIDLQNVTCRLYGEAFSQWAVQQSSTGDMLFRVADETGIVLLPGRGFGSDRPSGRASLANLNEYEYAAIGRALRRLADELYEQYKALGKEK------------------------ 
------------------------------MQTSRISSFFRGLVHLYRWAISPFL--G---------APCRFFPTCSEYALVALKKHPLRKSLFLIAKRLL--K-------C--GP--WCIG------------GIDL---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VP-R--TSVEE---------------------------------------------------------------------------------------------------------------------------------YLSSPTPLAESPDDRTVPHTQETS 
 
(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.
10.4561 4.11 0.14 0.770.62183e47T 3.4.25.1
 
20.5381 3.68 0.10 0.840.61192ezvA 3.1.21.4
 
30.5013 4.41 0.11 0.840.60913atjA 1.11.1.7
 
40.4593 3.67 0.14 0.690.60082gajB 5.99.1.2
 
50.4734 4.74 0.10 0.910.59851t3tA 6.3.5.3
 
(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
10.3504 4.83 0.17 0.682iafA 0.42 GO:0003941 GO:0051539 GO:0006006 GO:0006066 GO:0006090 GO:0006094 GO:0009058 GO:0009987 GO:0016051 GO:0034637 GO:0046165
20.3876 3.97 0.18 0.631v9pB 0.41 GO:0003911 GO:0043565 GO:0006260 GO:0006281 GO:0009058 GO:0009987 GO:0033554 GO:0034960 GO:0034961 GO:0043283 GO:0043284 GO:0044249 GO:0051716 GO:0005622 GO:0005623
30.4561 4.11 0.14 0.773e47T 0.40 GO:0004175 GO:0004298 GO:0005515 GO:0006508 GO:0006511 GO:0009056 GO:0009987 GO:0034960 GO:0034962 GO:0043283 GO:0043285 GO:0043632 GO:0044248 GO:0005622 GO:0005623 GO:0005634 GO:0005737 GO:0005829 GO:0005839 GO:0019773 GO:0034515 GO:0043229 GO:0044445
40.3534 4.52 0.18 0.621zl3A 0.40 GO:0009982 GO:0001522 GO:0006399 GO:0009987 GO:0010467 GO:0031119 GO:0034960 GO:0043412 GO:0044237
50.4228 4.59 0.14 0.781iruQ 0.39 GO:0004175 GO:0004298 GO:0006508 GO:0006511 GO:0009056 GO:0009987 GO:0034960 GO:0034962 GO:0043283 GO:0043285 GO:0043632 GO:0044248 GO:0000502 GO:0005622 GO:0005623 GO:0005634 GO:0005737 GO:0005829 GO:0005839 GO:0043229
60.4620 3.72 0.15 0.692oaqA 0.39 GO:0005524 GO:0030554 GO:0006810 GO:0005622 GO:0005623
70.3895 5.00 0.15 0.722f17B 0.39 GO:0004788 GO:0005524 GO:0016301 GO:0030554 GO:0006732 GO:0006772 GO:0009058 GO:0009108 GO:0009229 GO:0009987 GO:0042724 GO:0044249
80.4593 3.67 0.14 0.692gajB 0.38 GO:0003677 GO:0003917 GO:0008270 GO:0043169 GO:0006265 GO:0006268 GO:0009058 GO:0009987 GO:0032508 GO:0034960 GO:0034961 GO:0043283 GO:0043284 GO:0044249 GO:0005622 GO:0005623 GO:0005694 GO:0043229 GO:0044424
90.3999 3.94 0.16 0.622cybB 0.38 GO:0004831 GO:0005524 GO:0030554 GO:0006437 GO:0009058 GO:0009308 GO:0009987 GO:0010467 GO:0019752 GO:0034960 GO:0034961 GO:0043038 GO:0043039 GO:0043283 GO:0043284 GO:0044249 GO:0005622 GO:0005623 GO:0005737
100.3999 3.94 0.16 0.622cybB 0.38 GO:0004831 GO:0005524 GO:0030554 GO:0006437 GO:0009058 GO:0009308 GO:0009987 GO:0010467 GO:0019752 GO:0034960 GO:0034961 GO:0043038 GO:0043039 GO:0043283 GO:0043284 GO:0044249 GO:0005622 GO:0005623 GO:0005737

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00038240.356  GO:00442370.356  GO:00056230.387
GO:00054880.315  GO:00081520.356  GO:00444640.387
GO:00325530.154  GO:00099870.356  GO:00056220.387
GO:00325590.154  GO:00442380.317  GO:00444240.308
GO:00305540.154  GO:00431700.275  GO:00432290.232
GO:00170760.154  GO:00349600.275  GO:00057370.232
GO:00055240.154  GO:00442600.275  GO:00432260.232
GO:00001660.154  GO:00432830.275  GO:00432310.193
GO:00325550.154  GO:00090580.236  GO:00432270.193
GO:00168740.117  GO:00442490.236  GO:00329910.156

(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:
PHE:10  ARG:11  LEU:13  VAL:14  HIS:15  TYR:17  ARG:18  
LEU:59  CYS:62  GLY:63  PRO:64  TRP:65  CYS:66  ILE:70  
ASP:71  LEU:72  VAL:73  ARG:75  ARG:95  VAL:97  PRO:98  
HIS:99  THR:100  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11foaA0.4458 3.85 0.10 0.70 0.24Download10,11,13,14,15,17,18,59,62,63,64,65,66,70,71,72,73,75,95,97,98,99,100
21ionA0.4180 3.88 0.10 0.66 0.23Download25,28,29,30,31,62,65,66,67,68,69,70,71,72,92,93,94,95,96,97,98
31e6yA0.5281 4.05 0.07 0.85 0.21Download1,2,4,5,6,7,8,9,10,49,50,51,52,54,55,80
41hdsA0.3898 3.73 0.14 0.59 0.21Download9,13,15,16,17,19,20,39,40,43,46,48,50,51,52,53,54,55,56,57,59
51pa2A0.4643 4.43 0.09 0.79 0.20Download7,10,13,14,17,21,36,39,40,43,54,55,56,58,59,60,62,63,64,65,66,71,72,73,74,75,95,96,97,98,99
61gcvA0.3977 3.75 0.13 0.61 0.18Download9,13,15,16,17,19,39,40,43,46,48,50,51,52,53,54,55,56,59
71qpwA0.3928 3.73 0.14 0.58 0.18Download9,12,13,16,17,40,43,50,51,52,53,54,55,56,57,59,80
81s5lV0.3786 4.28 0.12 0.63 0.17Download16,17,18,19,20,21,22,23,24,25,29,32,33,34,35,36,37,38,39,40,43,46,52,56,59,64,103
92zfbA0.3530 4.58 0.16 0.61 0.17Download9,12,13,16,17,40,43,50,51,52,53,54,55,56,57,58,59,80
101n0hA0.4312 3.96 0.13 0.69 0.16Download60,61,62,63,70,71,72,73,81,86,87,88,89,90,91,92,93

(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).