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I-TASSER results for job id S34330

  Submitted Sequence

>CYTODOM-memb
LHTVIPAVVVAAILLIAGIIAMICYRKKRKGKLTLEDQATFIKKGVPIIFADELDDSKPP
PSSSMPLILQEEKAPLPPPEYPNQSMPETTPLNQDTVGEYTPLRDEDPNAPPYQPPPPFT
APMEGKGSRPKNMTPYRSPPPYVPP

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100                 120                 140
                   |                   |                   |                   |                   |                   |                   |      
LHTVIPAVVVAAILLIAGIIAMICYRKKRKGKLTLEDQATFIKKGVPIIFADELDDSKPPPSSSMPLILQEEKAPLPPPEYPNQSMPETTPLNQDTVGEYTPLRDEDPNAPPYQPPPPFTAPMEGKGSRPKNMTPYRSPPPYVPP
PredictionCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHCCCCSSCCCCCCCCCCCCCCCCCSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score9530478999999999989999875220155342878788987498677454033458998888885637889898897567788865564555655455611125788897789497268855578989989988899799997

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score=-4.15
 C-score=-4.61
 C-score=-4.29
 C-score=-4.84
 C-score=-5
 
Estimated accuracy of Model1: 0.27±0.08 (TM-score)    14.5±3.7Å (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                 140
                   |                   |                   |                   |                   |                   |                   |     
Sec.Str
Seq		CCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHCCCCSSCCCCCCCCCCCCCCCCCSSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
LHTVIPAVVVAAILLIAGIIAMICYRKKRKGKLTLEDQATFIKKGVPIIFADELDDSKPPPSSSMPLILQEEKAPLPPPEYPNQSMPETTPLNQDTVGEYTPLRDEDPNAPPYQPPPPFTAPMEGKGSRPKNMTPYRSPPPYVPP
12jl6J 0.04 0.07 0.83 1.12Download AAA------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA
21pi7A 0.42 0.06 0.13 1.01Download I--AIVALVVAIIIAIVWSIV----------------------------------------------------------------------------------------------------------------------------
31s7qA 0.16 0.14 0.77 1.01Download LKTWTAADMAALHKWLRAYLEGTCVEWLRR--YLKNGNATLLRTDSPKAHVTH----HSRPEDKVTLRQLNGEELIQDMEL-VETRPGSVVVPLGKEQYYTCHVYHQGL-----PEPLTLR-WEP--------------------
41jvrA 0.22 0.22 0.83 0.92Download IHGLSPTPIPKA-LSTHHWLNFLQAAYRGPSDFDFQQLRRFLK-----LALKT--PIWLNPIDYSLL------ASLIPKGYPGRVVEIINILVKNQVSPSAPAAPVPTPICPTTTPPP----------PPPPSPEAHVPPPYVEP
52jo1A 0.29 0.10 0.36 0.67Download YQSQIGGLVIAGILFILGILIVLSRRCRRTG-EPDEEEGTFRSSIRR------LST-RRR-------------------------------------------------------------------------------------
61jvrA 0.21 0.22 0.84 0.68Download IHGLSPTPIPKAPLSTHHWLNFLQAAYRGPSDFDFQQLRRFLK-----LALKTPIWLNPIDYSLL--------ASLIPKGYPGRVVEIINILVKNQVSPSAPAAPVPTPICPTTTPP----------PPPPPSPEAHVPPPYVEP
71jvrA 0.18 0.22 0.85 0.98Download HMGQIHGLSPTP-------------IPKAPRGLSTHHWLNFLQ---------AAYRLQPGPSDFDKLALKTPIWLNPIDYSLLASLIPKGYPGRVVEIINILVKNQVSPSAPAAPVPTPICPTTTPPPPPPPSPEAHVPPPYVEP
81jvrA 0.20 0.22 0.84 0.91Download PTPIPKAPRGLSTHHWLNFLQAAYRLQPGPSDFDFQQLRRFLK-----LALKTPIWLNPIDYSLL--------ASLIPKGYPGRVVEIINILVKNQVSPSAPAAPVPTPICPTTTPPP----------PPPPSPEAHVPPPYVEP
92jp3A 0.26 0.08 0.34 0.91Download WESLLGGLIFGGLLCIAGIALALSGKCKCRHTPSLPE------KVTPLIT--------PG-SAST--------------------------------------------------------------------------------
101tc5A 0.09 0.19 1.00 0.65Download IRVMLQAMDQGHLLAGRGVMVYIAFLSDRDSAPITDEALRHAVGVLLHIFTHFSPEKMINQPQSLEIVPQASLGGKVKGRSVQFHQLVAKDVGAALYDRFCHFVRVARGVDESRVDANGAPRSEGDAPKARQGLRFESEGPFTHM
(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: PROSPECT2   2: HHSEARCH I   3: HHSEARCH I   4: MUSTER   5: HHSEARCH   6: SP3   7: PROSPECT2   8: PPA-I   9: HHSEARCH I   10: FUGUE   

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

RankTM-scoreRMSDaIDENaCov.PDB
Hit
10.4825 4.17 0.07 0.731fuiA
Model1
 
20.4805 4.44 0.05 0.752c0uA
Model1
 
30.4787 4.38 0.03 0.721uswA
Model1
 
40.4742 4.53 0.07 0.773cghA
Model1
 
50.4732 4.78 0.08 0.773fdhA
Model1
 
60.4726 4.81 0.04 0.761lvlA
Model1
 
70.4711 4.96 0.05 0.831ehkA
Model1
 
80.4702 4.57 0.03 0.772a8iA
Model1
 
90.4695 4.42 0.04 0.731zmcA
Model1
 
100.4684 4.77 0.07 0.751ebdA
Model1
 
Structural alignment using TM-align
 
MKKISLPKIGIRPVIDGRRMGVRESLEEQTMNMAKATAALLTEKLRHACGAAVECVISDTCIAGMAEAAACEEKFSSQNVGLTITVTPCWCYGSETIDMDPTRPKAIWGFNGTERPGAVYLAAALAAHSQKGIPAFSIYGHDVQDADDTSIPADVEEKLLRFARAGLAVASMKGKSYLSLGGVSMGI--------------AGSIVDHNFFESWLG--MKVQAVDMTELRRRIDQKIYDEAELEMALAWADKNFRYGEDENNKQYQRNAEQSRAVLRESLLMAMCI-------RDMM-QGNSKLADIGRVEESLGYN-AIAA-------GFQGQRHWTDQ--------YPNGDTAEAILNSSFDWNGVREPFVVATENDSLNGVAMLMGHQLTGTAQVFADVRTYWSPEAIERVTGHKLDGLAEHGIIHLINSGSAALDGSCKQRDSEGNPTMKPHW-----E-ISQQEADACLAATEWCPAIHEYFRGGGYSSRFLTEGG----------VPFTMTRVNIIKGLGPVLQIAEGWSVELPKDVHDILNKRTNSTWPTTWFAPRLTGKGPFTDVYSVMANWGANHGVLTIGHVGADFITLASMLRIPVCMHNVEETKVYRPSAWAAHGMDIEGQDYRACQNYGPLYKR 
---------------------------------------L-HTVIPAV-------------------------------------------------------------------------------------------------------------------V-VAAILLIAG-------------IIAMICYRKKRKGKLTLEDQAT-F-----IKKGV-----------------------------------------------------------------PIIFADELD--DSKP------------PPSSSMPLILQEEKAPLPP--------PEYPNQSMPETTP----------------------L----------------------N-----------------------------------QDTVGE------------YTPLRDEDPNAPPY--Q---P----------------------------PPPFTAPMEGKGS------------------RP---------------------------K------------------------N----MT--PYR--SPPP---------------------------------------YVPP 
 
VDFKLSPSQLEARRHAQAFANTVLTKASAEYS-T--QKDQLSRFQAT-RPFYREAVRHGLIKAQVPIPLGGTESLVHESIILEELFAVEPATSITIVATALGLPVILCDSPSLQEKFLKPFISGEGEPLASLHSEPNGTANWLQKGGPGLQTTARKVGNEWVISGEKL------WPSNSGGWDYKGADLACVVCRVSDDPSKPQDPNVDPATQIAVLLVTRETIANNKKDAYQILGEPELAGHITTSGPHTRFTEFHVPHENLLCTPGLKAQGL-VET-AFASA------------ALVGAAIGTARAAFEEALVFAKSDTRGGSKHIIEHQSVADKLIDCKIRLETSRLLVWKAVTTLEDEALEWKVKLEAQTKIYTTDVAVECVIDAKAVGKSYAKDSFPRLLNEVCYPLFDGGNIGLRRRQQRVALEDYEPWAATYGS----------- 
-----LHTVIPAVVVAAILLIAGIIAMICYRKKRKGKLTLEDQATFIKKGV--PI----IF-ADEL---DD----------------------------------------------S--KPPPSSSMPL--------------------------------------ILQEEKAPLPPPE-----YPNQSM--------------------------P------------E-T-------------TPL------------------------NQD-TVGEYTPLRDEDPNAPPYQPPPP-FT--A------------------------------------PMEGK--------------------------------GS--RPK----------------NM-T----------------------------------PYRSPPPYVPP 
 
ASTQG--ISEDLYNRLVEMATISQAAYADLCNIPSTIIKG------EKIYNAQTDINGW-ILR---D-------------DTSKEIITVFRGTGSDTNLQLDTNYTLTPFDTLPQCNDCEVHGGYYIGWISVQDQVESLVKQQASQYPDYALTVTGHSLGASMAALT----AAQLSATYDNVRLYTFGEPRSGNQAFASYMNDAFQVS------SPETT---QYFRVTHSNDGIPNLPPADEGYAHGGVEYWSVDPYSAQNTFVCTGDEVQCCEAQGGQGVNDA-----HTTYFGMTSGACTW- 
--L--HTVIPAVVVAAILLIAGIIAMICYR----------KKRKGKLTLE------DQATFIKKGVPIIFADELDDSKPPPSSSMPLILQ----------------------------------E--EK---A-PL---PPPEYPNQSM------------------PETTP-LNQDTVGEY----------------------TP--LRDEDPNAPPYQPPPPFTA---------------------PME--------------GKGS----R----------PKNMTP-YR-SPP--PYVPP 
 
PYEAPDLSAD-GYALGSANNLAGCVVSPDVNTAQFTDCLLGGPLGGYFADSNAGFTETISNFNPKDDWSRVFLKSDKIIPTLYSNLTQVKLVSQNTN-DPV-PYAIAQVIKVAA-HRVTDAFGPIPYSQIGANGEIATPYD-----SQ-EVTYNTFFDELNAAIATLNENSNEQLVPTADYIYKGDVKKWIRFA-----------NSLKLRLAIRIAYANPVKA-----------QQAEEAVNPANG-------------GVIE-SNADNATWNYFETSQNPIYVATRYNQVQTSDHGGVPCLTGGDTHAAADIICYNGYKDNRREKFFTKSEWAGQDYVGRRGIVIPELKTTGHKYSGVNIAPTSPLYWNAAEVAFLRAEGQAVFNFSGGTAESFYNQGIRLSFEQWGADGVEDYLKDDVNKPTAYTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQLGNEAWADFRRTGYPKLIPVKENKSGGVVDSEKGARRPYPLDEFVS---------NKANVEYAIANYLHGADNATDVWWASKK 
----------LH-----------------------------------------------------------------------------------T-VIPAVVVAAILLIAGIIAMICYRKKRK-----------------GKLTLEDQATFIKKG-VPI--IFADELD-------------------------DSKPPPSSSMPL-ILQEE-K-AP---L-PPPEYPNQSMPETTPLNQDTVGEYTPLRDEDPNAPPYQPPPPFTAPME-----------------------------------------------------------------------------------------------------GK-----------------------------G--SRP----------------------------------------------------------KNMTP---------------------------------------------YRSPPPYVPP--------------------------- 
 
SVASRFILADVITSTAFSNASGDINTYASSYIEYEVGVDNQLYYAEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQCGEGGRDHGNDVTRGAEVAAYNCALIADFFGDAPCSQAATPKDTQQEIYTQIISYLDDAIANLQKEDLA-DVTEQD-------------------FLYAGDADK---WLKFAYGLKARYTRLINRSSNKSADYEKVLDYVSKSFTSADDQAAFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTL-----LSYHELFLKAEALCRLNRDAEDALKEAVVAGLLNAENSISIAIKELGSGLNTNSSEVITETSAGKYFDDVVKAKYAANPLQETIQKYLAWGASGEATE-------TYNDFRRKGLNENFITLTNPNNSSKFPLR--YP-YGNSDTAANPEVKAAYGNGDYVYSEPVW-WAGGSR----------------- 
-----------------------------------------------------LHTVIPAVVVAAILLIAGIIAMICYRK--K-RKGKLT--------------------------------------------------L--ED--QATFIKKGVPIIFADELDDSKPPPSSSM-------PLILQ-EEK-----------------------------AP----LPPPEYPN-----------------------------------------------------------------------------------QSM--PETTPLNQDT--------------------------------------------------------------------------------V--G---E-YTPLRDEDPNAPPYQPP-----------------------PPF-TA------------------------PMEGKGS---RPKNMTPYRSPPPYVPP 
 
QQTIQTTLLIIGGGPGGYVAAIRAGQLGIPTVLVEGQALGGTCLNIGCIPSKALIHVAEQFHQASRFTEPSPLGISVASPRLD-IGQSVA--WKDGIVDRLT----TGVAALLKKHGVKVV-------------------------------------------------HGWAKVLDGKQVEVDGQRIQCEHLLLATGS-----------SSV--ELPMLPLGGPVISSTEALAPKALPQHLVVVGGGYIGLELGIAYRKLGAQVSVVEARERILPTYDSELTAPVAESLKKLGIALHLGHSVEGYENGCLLANDGKGGQLRLEADRVLVAVGRRPRTKGFNLECLDLKMNGAAIAIDERCQTSMHNVWAIGDVAGEPMLAHRAMAQGEMVAEIIAGKARRFEPAAIAAVCFTDPEVVVVGKTPEQASQQGLDCIVAQFPFAANGRAMSLESKSGFVRVVARRDNHLILGWQAVGVAVSELSTAFAQSLEMGACLEDVAGTIHAHPTLGEAVQEAALRALGHALHI---- 
----------LHTVI------------------------PAVVVA-AILLIAGIIAMICYRKKR------------KGKLTLEDQATFIKKGVPI--IF---ADELD--------------DSKPPPSSSMPLILQEEKAPLPPPEYPNQSMPETTPLNQDTVGEYTPLRDEDPN-------------------------APPYQPPPPFTAPMEGKG--S-----R---------------PKNM-----TPY-------------------------------------------------------------------------------------------------------------------------------------------------------------RS---P------------------------------------------------------------PP------------------------------------------------YVPP 
 
AYPEKKATLYFLVLGFLALIVGSLFGPFQALNYGNVDAYPLLKRLLPFVQSYYQGLTLHGVLNAIVFTQLFAQAIMVYLPARELNMRPNMGLMWLSWWMAFIGLVVAALPLLANE-AT--VLYTFYPPLKGHWA-FYLGASVFVLSTWVSIYIVLDLWRRWKAANPGKVTPLVTYMAVVFWLMWF-LASLGLVLEAVLFLLPWSFGLVEGVDPLVARTLFWWT----------GHPIVYFWLLPAYAIIYTILPKQAGGKLVSDPMARLAFLLFLLLSTPVGFHHQFADPGIDPTWKMIHSVLTLFVAVPSLMTAFTVAASLEFAGRLRGGRGLFGWIRALPWDNPAFVAPVLGLLGFIPGGAGGIVNASFTLDYVVHNTAWVPGHFHLQVASLVTL-----------------TAMGSLYW----LLPNLTGKPISDAQRRLGLAVVWLWFLGMMIMAVGLHWAGLLNVPRRAYIAQVPDAYPHAAVPMVFNVLAGIVLLVALLLFIYGLFSVLLSRLAEAPLPFAEVISGPEDRRLVLAMDRIGFWFAVAAILVVLAYGPTLVQLFGHLNPVPGWRLW----------- 
--L-----------------------------------------------------------------------------------HTVIPAVVVAAILLIAGIIAMICYRKKRKGKLTLEDQAT-----F---IKKG--VP-I-IF--AD------------------------------E-LDDSKPPPSSSMP---------------------------LILQEEKAPLPPPEY----------------------------------------PNQSMPE----------------------------------------------------------------------------------T--------------T---PL--NQ-DTV-GEYTPLRDEDPNAPPYQPPP-----PFTAPMEGK----G-------S-------------------------------------------------------------RPKN-MT--------------------------------------------------------------------PYRSPPPYVPP 
 
GGFVLVHAGAGY--HSESKAKEYKHVCKRACQKAIEKLQAG--ALAT-DAVTAAL-VELEDSPFTNAG-GSNLNLLGEIECDASIDGKSLNFGAVGALSGIKNPVSVANRLLCEGQKGKLSAGRIPPCFLVGEGAYRWAVDHGIPSCPPNITTRFSLAAFKRNKRKLELGTLDTVGAVVVDHEGNVAAA-VSSGGLALKHPGRVGQAALYGCGCWAENTGAHNPYSTAVSTSGCGEHLVRTILARECSHALQAEDAHQALLETQNKFISSPFLASEDGVLGGVIVLRSCRCTLLVEFLWS-----------HTTESCVGYSAQDGKAKTHISRL-PPGAVAGQSVAIE-GGVCRLE------------ 
------------LHTVIPAVVVAAILLIAGIIAMICYRKKRKGKLTLEDQATFIKKGVPI---IFAD-ELDDSK----PPP--------------------SSSM--------------------------------------------------------------------PLILQEE----KAPLPPPEYP--------NQS--MPET--TP-------------L--------------NQDT-------------------V-----------GEYT------------------PLRDEDPNAPPYQPPPPF-----------TAPM-EG---------KGSRPKNM---TPYRSPPPYVPP 
 
QPIDADVTVIGSGPGGYVAAIKAAQLGFKTVCIEKNETLGGTCLNVGCIPSKALLNNSHYYHMAHGTDFASRGIEMSEV--------RLN--LDKMMEQKSTAVKALTGGIAHLFKQNKVVHVNGYGKITGKNQVTATKADGGTQVIDTKNILIATGS-EVTPFPGITIDEDTIVSST-GALSLKKVPEKMVVIGAGVIGVELGSVWQRLGADVTAVEFLGHVGGVGIDMEISKNFQRILQKQGFKFKLNTKVTGAT-----KKSDGKIDVSIEAASGGKAEVITCDVLL--------VCIGRR-PFTKNLGLEELGIELDPRGRIPVNTRFQTKIPNIYAIGDVVAGP-----MLAHKAEDEGIICVEGMAGGAVHIDYNCVPSVIYTHPEVAWVGKSEEQLKEEGIEYKVGKFPFAANSRAKTNADTDGMVKILGQKSTDRVLGAHILGPGAGEMVNEAALALEYGASCEDIARVCHAHPTLSEAFREANLAASFGKSINF-------- 
---------LHTVI--------------------------PAVVV-AAILLIAGIIAMICYRKKRKG------------KLTLEDQATF-IKKG-VP--I----------------------------------------------------------IFA-D-----ELDDSKP---PP--SSSMP---L-----------ILQ----------E----------------------------EKAP---------LPPPEYP-NQSMP-------------ETT----PLNQDTVGEYTPLRDEDP----------------N------------------APP---YQPPPPFTAP------------------------ME-G-------K--GSR-----------------------------------------------PKNMT-PYR-----------------------------------------------SPPPYVPP 
 
AIETETLVVGAGPGGYVAAIRAAQLGQKVTIVEKGNLGGVCLNVGCIPSKALISASHRYEQAKHSEEMGIKAENVTID-----------FAKVQEWKASVVKKLTGGVEGLLKGNKVEIVKGEAYFVDANTVRVVNGDSAQTYTFKNAIIATG--SRPIELPNFKFSNRILDSTGALNLGEVPKSLVVIGGGYIGIELGTAYANFGTKVTILEGAGEILSGFEKQMAAIIKKRLKKKGVEVVTNALAKGAEEREDGVTVTYEANGETKTIDADYVLV---------TVG-RRPNTDELGLEQIGIKMTNRGLIEVDQQCRTSVPNIFAIGDIVPGP----ALAHKASYEGKVAAEAIAGHPSAVDYVAIPAVVFSDPECASVGYFEQQAKDEGIDVIAAKFPFAANGRALALNDTDGFLKLVVRKEDGVIIGAQIIGPNASDMIAELGLAIEAGMTAEDIALTIHAHPTLGEIAMEAAEVAL--------- 
-------L-HTVI-------------------------PAVVV-AAILLIAGIIAMICYRKKRKGK------------LTLEDQATFIKKG-VP-----------------------------------------------------------IIFADELD--DSKPP--P---SS---------SMP------L--ILQ--------------------------E--EKA--P---LPPP----E-YP--------NQSM-----PET-------TPLNQDTVGEYTPLRDED-----------------P---------------N-A--PPYQPPPPFTAP-----------------------MEG----------KG------------------------------------------------SRPKN--MTPY----------------------------------------RSPPPYVPP 
 
(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.
10.4421 5.11 0.11 0.800.55533b7iA 3.4.11.10
 
20.4537 4.72 0.10 0.750.52261onkA 3.2.2.22
 
30.4542 4.70 0.10 0.740.50883d7wA 3.2.2.22
 
40.4512 5.04 0.09 0.790.50061vlbA 1.2.99.7
 
50.3834 4.82 0.12 0.690.49511qjnA 1.1.3.7
 
(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
10.4421 5.11 0.11 0.803b7iA 0.34 GO:0004177 GO:0008270 GO:0043169 GO:0006508 GO:0009987 GO:0034960 GO:0043283 GO:0044237 GO:0005576
20.2856 5.00 0.20 0.501fpqA 0.34 GO:0008171 GO:0046983
30.3375 4.83 0.17 0.522jf7B 0.32 GO:0004553 GO:0043169 GO:0005975
40.3935 4.62 0.13 0.673c4fB 0.32 GO:0004713 GO:0005007 GO:0005515 GO:0005524 GO:0008201 GO:0016301 GO:0030246 GO:0030554 GO:0007154 GO:0007275 GO:0009653 GO:0016043 GO:0040007 GO:0043170 GO:0044237 GO:0044238 GO:0048856 GO:0048869 GO:0050793 GO:0050794 GO:0065008 GO:0005623 GO:0005624 GO:0005886 GO:0005887 GO:0016021
50.3279 5.42 0.14 0.642o23B 0.31 GO:0003857 GO:0005515 GO:0008709 GO:0047015 GO:0006629 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005739 GO:0005740 GO:0005743 GO:0005783 GO:0005886 GO:0031966 GO:0031975 GO:0043229 GO:0044429 GO:0044444
60.3693 5.30 0.13 0.671h4pB 0.31 GO:0004338 GO:0043169 GO:0006073 GO:0007047 GO:0034960 GO:0043283 GO:0044237 GO:0044262 GO:0044264 GO:0005576 GO:0005623 GO:0009277
70.4325 5.24 0.10 0.812i5qA 0.31 GO:0000287 GO:0050032 GO:0009056 GO:0009063 GO:0009308 GO:0009310 GO:0009987 GO:0019752 GO:0044248
80.4323 4.53 0.12 0.683cb6A 0.30 GO:0005515 GO:0006139 GO:0006974 GO:0009058 GO:0009889 GO:0043283 GO:0043933 GO:0044249 GO:0044260 GO:0050794 GO:0051716 GO:0060255 GO:0065007 GO:0005622 GO:0005623 GO:0005634 GO:0005694 GO:0031974 GO:0035101 GO:0043229 GO:0043234 GO:0044424 GO:0044428
90.4323 4.53 0.12 0.683cb6A 0.30 GO:0005515 GO:0006139 GO:0006974 GO:0009058 GO:0009889 GO:0043283 GO:0043933 GO:0044249 GO:0044260 GO:0050794 GO:0051716 GO:0060255 GO:0065007 GO:0005622 GO:0005623 GO:0005634 GO:0005694 GO:0031974 GO:0035101 GO:0043229 GO:0043234 GO:0044424 GO:0044428
100.3621 5.53 0.12 0.711b0aA 0.30 GO:0004477 GO:0004488 GO:0005488 GO:0000105 GO:0006164 GO:0006555 GO:0006725 GO:0006730 GO:0006752 GO:0008652 GO:0009058 GO:0009067 GO:0009076 GO:0009086 GO:0009108 GO:0009165 GO:0009308 GO:0009309 GO:0009396 GO:0009987 GO:0044249 GO:0044272 GO:0046483 GO:0055114

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00054880.316  GO:00081520.312  GO:00056230.243
GO:00038240.255  GO:00442380.282  GO:00444640.243
GO:00055150.158  GO:00442370.219  GO:00444240.179
GO:00431670.128  GO:00099870.219  GO:00056220.179
GO:00167870.127  GO:00442600.187  GO:00057370.119
GO:00431690.097  GO:00431700.158  GO:00055760.094
GO:00167400.065  GO:00432830.126  GO:00160200.092
GO:00468720.065  GO:00160430.124  GO:00444220.092
GO:00045530.063  GO:00507890.093  GO:00432270.092
GO:00167980.063  GO:00507940.093  GO:00432290.092

(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:
ILE:19  MET:22  ILE:23  CYS:24  ARG:26  LYS:27  THR:34  
GLN:38  ILE:68  GLN:70  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11x07A0.4082 4.85 0.09 0.66 0.19Download19,22,23,24,26,27,34,38,68,70
21ezvC0.3348 4.82 0.13 0.50 0.19Download50,54,65,67,78,79,80,81,82,83,84,85,86,87,99,100,101,102,111,112,113,114,115,116
31bvrA0.3293 5.19 0.11 0.58 0.19Download11,48,49,50,51,52,55,103
42eq6A0.4267 4.46 0.07 0.68 0.18Download2,3,4,5,6,7,8,9,10,12,13,16,107,108,109,110,119,120,137,139
51cpq_0.3476 3.74 0.13 0.47 0.17Download9,10,12,13,14,15,16,17,18,19,20,135,136,137,138,139
61egyA0.3850 5.05 0.09 0.61 0.16Download7,11,49,50,105
71bvrA0.3293 5.19 0.11 0.58 0.15Download3,4,5,7,8,49,50,51,102,103,105,107,113,118,119
81ezvC0.3348 4.82 0.13 0.50 0.15Download14,17,21,24,139,140,141,142,143
92cfyA0.4619 5.01 0.06 0.74 0.15Download2,3,4,5,6,7,8,9,11,12,15,48,49,50,51,103,105,106,107,109,110,113,118,119,120,121
101ebdA0.4684 4.77 0.07 0.72 0.14Download2,3,4,5,6,7,8,9,11,12,15,48,49,50,51,103,105,106,107,109,110,113,118,119,120,121

(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).