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I-TASSER results for job id S34348

  Submitted Sequence

>thesisgrenoble
TNMLEALQQRLEKYQSVEAAAKAENNSGKARRFGRIVKQYEDAIKLYKAGKPVPYDELPV
PPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTSAGGTPSSSSATTPTAPRKAPSPPKP
KELTTRTSGNQQKNNIAEQQMKLLLERQKEFKLAAIEAKKAGEIDQAKEYLKIFKGFDSL
LNAASSGLPVDLSTLPVPPSQRDNLEASFAIVSAEECDPTDDICEIGVRMEEQLAKQLMM
CKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRKNEPLPKFHYEKRSFNIVHCN
TDLTDSELEIVVVRGISYNVANPKDVDTYVRVEFPLLNDESFKTKTNVIRDTSSPDYDER
FKVDIQRTNRQFQRIFKRHGVKFEIYSRGGFLRSDTLIGTVNVKLQPLETKCEIHDTYDL
MDGRKQVGGKLEVKIRVRNPILTKQMEHITEKWLVLDA

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320                 340                 360                 380                 400                 420                 440
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   
TNMLEALQQRLEKYQSVEAAAKAENNSGKARRFGRIVKQYEDAIKLYKAGKPVPYDELPVPPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTSAGGTPSSSSATTPTAPRKAPSPPKPKELTTRTSGNQQKNNIAEQQMKLLLERQKEFKLAAIEAKKAGEIDQAKEYLKIFKGFDSLLNAASSGLPVDLSTLPVPPSQRDNLEASFAIVSAEECDPTDDICEIGVRMEEQLAKQLMMCKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRKNEPLPKFHYEKRSFNIVHCNTDLTDSELEIVVVRGISYNVANPKDVDTYVRVEFPLLNDESFKTKTNVIRDTSSPDYDERFKVDIQRTNRQFQRIFKRHGVKFEIYSRGGFLRSDTLIGTVNVKLQPLETKCEIHDTYDLMDGRKQVGGKLEVKIRVRNPILTKQMEHITEKWLVLDA
PredictionCCHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHCCCHHHHHHHHCCCCCCCCCCCCCCCCHHHCCCCCCSSCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCSSCCCCSSSSCCCCCCCSSSSSSSCCCCCCCCCCCCCCSSSSSCCCCCCCCCCCCCCSSSSCCCCCCCCCSSSSSSCCCCHHHHHHHHHCCSSSSSSSCCCCCCCCCSSSSSSSSCHHHHHCCSSSSSSSCCCCCCCCCCSSSSSSSSCCCCCCCCCSSSSCSSSSSCC
Conf.Score95799999999999999999987074476778888898999999999769999844479998999999999999999987789999999878889899999999999999999989999888999988999999579999999999999999999987562899999999998656369999984799664445899965523317872032167678884189999999999999999999999987630113435579999999998699999998759987983421113661276588887768999975501589997543468984699988777666601576799857430589987567588899998387489999667620157357999986167421316567576024877768769999994387766744364301788509

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score=-1.84
 C-score=-1.29
 C-score=-4.29
 C-score=-4.50
 C-score=-4.51
 
Estimated accuracy of Model1: 0.49±0.15 (TM-score)    11.5±4.5Å (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                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320                 340                 360                 380                 400                 420                 440
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                  
Sec.Str
Seq		CCHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHCCCHHHHHHHHCCCCCCCCCCCCCCCCHHHCCCCCCSSCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCSSCCCCSSSSCCCCCCCSSSSSSSCCCCCCCCCCCCCCSSSSSCCCCCCCCCCCCCCSSSSCCCCCCCCCSSSSSSCCCCHHHHHHHHHCCSSSSSSSCCCCCCCCCSSSSSSSSCHHHHHCCSSSSSSSCCCCCCCCCCSSSSSSSSCCCCCCCCCSSSSCSSSSSCC
TNMLEALQQRLEKYQSVEAAAKAENNSGKARRFGRIVKQYEDAIKLYKAGKPVPYDELPVPPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTSAGGTPSSSSATTPTAPRKAPSPPKPKELTTRTSGNQQKNNIAEQQMKLLLERQKEFKLAAIEAKKAGEIDQAKEYLKIFKGFDSLLNAASSGLPVDLSTLPVPPSQRDNLEASFAIVSAEECDPTDDICEIGVRMEEQLAKQLMMCKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRKNEPLPKFHYEKRSFNIVHCNTDLTDSELEIVVVRGISYNVANPKDVDTYVRVEFPLLNDESFKTKTNVIRDTSSPDYDERFKVDIQRTNRQFQRIFKRHGVKFEIYSRGGFLRSDTLIGTVNVKLQPLETKCEIHDTYDLMDGRKQVGGKLEVKIRVRNPILTKQMEHITEKWLVLDA
11tzlA 0.09 0.20 0.90 1.57Download DIYARELVGAAFDIGEIDSGLKIGAHKKNTVEYQKNIDKFVNVIQ----------GQLSVSVPVNTLVVDTLSPTSWQASTFFVRNGSNPEQDPLRNLSGQAVTRVVGGSTHWTCATPRFDREQRPLLVKDDADADDAEWDRLYTKAESYFQTGTDQFKESIRHNLVLNKLAEEYKVHNTQLLVNSGFGQLGRPNPTNPPELLPSLGSYITEQSLVFCQTVS-------------TELIDSVKSDTIRGTPGELTYSVTYTPGASTNKHPDWWNEKVKNHQHQEDPLPIPFEDPEPQVTTLFQPSHPWHTQIHRDAFSYGAVQQSIDDWRFFGRTEPKEEN----KLWFSDKITDAYNPQPTFDFRFPAGRTSKEAEDTD--------CVSAKIGGFLPGSLPQFEPGLVLHLGGTH--RGFDEKEDNCCVNTDSRVFGF----------KNLFLGGT
22dmgA 0.22 0.09 0.31 0.90Download --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSSGSSGSPLGQI----QLTIRHSSQRNKLIVVVHACRNLIAFSEDGSDPYVRMYLLPDKRRSGRRKTHVSKKTLNPVFDQSFDFSVS------LPEVQRRTLDVAVKNSGGFLSKDKLLGKVLVALASEELAKGWTQWYDLTEDSGPSSG-----------------------------
31w36B 0.09 0.18 0.90 1.52Download MSATAELRGRIRSNIHELRIACLRETTDNPLYKAQAAQWLLLAERQMDEAAVFNAFESGMLFEQQLIEDESLLRYQACADFWRRHCYPLPREIAQVV---FETWKGPQALLRDINRYLQGEAPVIKAPPPDIRDLVITRALAEIRETVAREKRRLDSALRSESGEVLAAAIRTRRSAPGMVNSVNTDDAFMFREIPFIPVKSAGKNQALRFVFKGMEGESCGVGDYQSTMAQVCAAQIRDWLQAGQRGEALLMNGDDARPVRASDRSRQEAAQVRDALTLLLSNRDRLESDKHLVQIVTIHKSKGLEYPLVWLPFITN----------------------FRVQEQAFYHDRHSFE-----AVLDLNAAPESVDLAEAERLHCSLGVAPLVRRRGDKKGDTDVHQSALGR---------LLQKGEPQDCDDDIAWQTAQTGDNQ-------PWQVNDV
41rlwA 0.14 0.06 0.27 2.11Download ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SSHKFTVVVLRATKVTKGAFGDPDPYVELFI--STTPDSRKRTRHFNNDINPVWNETFEFILDPN--------QENVLEITLMDANYV--MDETLGTATFTVSSMKVGEKKEVPFIFNQ---VTEMVLEMSLEVASS------------------
53clwA 0.07 0.16 0.85 1.52Download KKDAWRCAFIGKNWPQ---------------------EKKEKIADLLFKR---EFDEKGNPIGMALTIGAGSYENREAKEVDNSWNRTECFLSPDGKYDFTKQRGMNNTNSAPYFMTRSASTVSTDQDCINLQNDKFDDFARFLVKSAQHFREWHANSFQEGSFATKADLYRMVEELDKAISEAQIDFEIDSIAKTPDDIIHSMFYKDGQYSVLKFKNWSAYPATLLVDIRNRIHKELSANGHNTKFWEKNEEITMPASPERSINLGLYVARIIHNDLTLANAS------------------------AWQWWTAVSLGEDVP-----IQLLPLEGSNGLSLQYDGEISTTFFVRPGMKRIAIKPTYKISDLEA---ATSLMISSYTDGKAINYSKENQVISLNCDH-------AQKGKVYLTTIDKNLRYMGEQPLKK------LQLPARSVATIVV
61rsy 0.18 0.08 0.27 1.74Download ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EKLGKLQYSLDYDFQN-NQLLVGIIQAAELALDM--GGTSDPYVKVFLLP--DKKKKFETKVHRKTLNPVFNEQFTFKVP------YSELGGKTLVMAVYDFDRF-SKHDIIGEFKVPMNTVDFGHVTEEWRDLQSA-----------------------------------
71m5yA 0.10 0.14 0.77 1.51Download VDLESDVDGLMQSVKLNAAQARQQLPDDATLRHQIMERLIMDQIILQMGQKM----------------------------------------------------------------------------GVKISDEQLDQAIANIAKQLDQMRSRL--AYDGLNYNTYRNQIRKEMIISEVRNNEVRRRI----TILPQEVESLAQQVTSHILIPLPENPTSDQVNEAESQARAIVDQARNGADFGKLAIAHSADQQALNGGQMGWGRIQELPGIFAQALSTAKKGDIVGPIRS-----------GVGFHILKVNDLRGESKNISVTEVHARHILLKPSPIMTDEQAR--------VKLEQIAADIKSGKTTFAAAAKEFS------QDPGSANQGGDLGWATPDDPAFRDALTRLNKGQMSAPVHSSFGWHLIELLDTRNLMNRKFSEEAASWMQILS
82dmgA 0.21 0.09 0.31 1.95Download ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSSGS-SGSPLGQIQ-LTIRHSSQRNKLIVVVHACRNLIAFSEDGSDPYVRMYLLPDKRRSGRRKTHVSKKTLNPVFDQSFDFSVSLP------EVQRRTLDVAVKNSGGFLSKKGLLGKVLVALASEELAKGWTQWYDLTEDSGPSSG-----------------------------
91t7pA 0.10 0.18 0.92 0.64Download VDIEHRAAWLLAKQERNTKAIEE--YVELAARRSELLRKLTETFG--SWYQPKGGTEMFCHPRTGKPLPKYPRIKTPKEYVAGAPYTPVEHVVFNPSSRDHIQKKLQEAGWVPTKYTDKGAPVVDDEEGVRVDDPEKQAAIDLIKEYLMIQKRIGQSAEGDKAW---LRYVAEDGKIHGSVNPNGAVAFPNLAQIPGVRSPYGEQCRAAFGAEHHLDGITGKP---WVQAGIDASGLELRCLAHFMARFDNGEYAHEILNGDIHTKNQIAAELPTRDNAKTF-IYGFLYGAGDEKIGQIV-GAGKERGKELKKK-FLENTPAIAALRESIQQTLVEKWK---RRWIKGLDGRKVHVRSPHAALNCKLWIIKTEEMLVEKGLK---HGWDGDFAHDEIQVGCR---EEIAQ--VVIETAQ--EAMRWVGDHWNFRC----LLDTE--GKMGPNW---IC
101dqvA 0.13 0.12 0.54 3.07Download -------------------------------------------------------------------------------------------------------------------------------------------------------------GAPCGRISFAVVRILQALDLPAKDSNGFSDPYVKIYLLP----DRKKKFQTKVHRKTLNPIFNETFQFS-VPLAELAQRKLHFSVYDFDRFSRHDLIGQVVLNLLAEQPPD--RPL-----WRDILEGGSEKADLGELNFSLCYLPTAGLLTVTIIKASNLKAMDLTGSDPYVKASLISEGRRLKKRKTSIKKNTLNPTYNEALVFDVAPES------VENVGLSIAVVDYDCIG-HNEVIGVCRVGPEAAEHWAEVEHWHQLVEEK----------------------------------
(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: SP3   3: PROSPECT2   4: HHSEARCH I   5: PROSPECT2   6: FUGUE   7: PROSPECT2   8: HHSEARCH I   9: MUSTER   10: HHSEARCH   

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

RankTM-scoreRMSDaIDENaCov.PDB
Hit
10.8466 2.34 0.08 0.891tzlA
Model1
 
20.5454 4.90 0.06 0.712jbvA
Model1
 
30.5392 4.55 0.08 0.671gpeA
Model1
 
40.5369 4.71 0.08 0.681cf3A
Model1
 
50.5235 5.27 0.05 0.691kdgA
Model1
 
60.5200 4.72 0.05 0.661ju2A
Model1
 
70.5179 4.67 0.05 0.661coyA
Model1
 
80.5171 4.79 0.06 0.661ijhA
Model1
 
90.3500 7.13 0.03 0.571qj2B
Model1
 
100.3448 6.66 0.06 0.531ar1A
Model1
 
Structural alignment using TM-align
 
DIKYDV--VIVGSGPIGCTYARELVGAGYKVAFDIGEIDSGLKIGAHKKNTVEYQKNIDKFVNVIQGQ----------LSVSVPVNTLVVDTLSPTSWQASTFFVRNGSNPEQDPLRNLSGQAVTRVVGGSTHWTCATPRFDREQRPLLVKDDADADDAEWDRLYTKAESYFQTGTDQFKESIRHNLVLNKLAEEYKGQRDFQQIPLAATRRSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALNSEIESLHIHDLISGDRFEIKADVYVLTA-GAVHNTQLLVNSGFGQLGRPNPTNPPELLPSLGSYITEQSLVFCQTV-------------STELIDSVKSDTIRGTPGELTYSVTYTPGASTNKHPDWWNEKVKNHQHQEDPLPIPFEDPEPQVTTLFQPSHPWHTQIHRDAFSYGAVQQSIDSRLIVDWRFFGRTEPKEEN----KLWFSDKITDAYNPQPTFDFRFPAGRTSKEAE-D--TD-----CVSAKIGGFLPGSLPQFEPGLVLHLGGTHR--GFDEKEDNCCVNTDSRVFGFKNLFLGGCGNIPTAYGANPTLTASLAIKSCEYIKQNFTPSPFT---------- 
TN----MLEALQQ---RL--E-----------KY-QSVEAAAKAENNSGKARRFGRIVKQYEDAIKLYKAGKPVPYDELPVPPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTSAGGTPSSSSATTPTAPRKAPSPPKPKELTTRTSGNQQKNNIAEQQMKLLLERQKEFKLAAIEAKKAGEIDQAKEYLK--I---FKG--F---------------------------------------------------------------------------------DSLLNAAS-SG---LPVDLSTLPVPPSQRDNLEASFAIVSAEECDPTDDICEIGVRMEEQLAKQLMMCKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRKNEPLPKFHYEKRSFNIVHCNTDLTDSELEIVVVRGISYNVANPKDV----DTYVRVE-FPLLNDESFKTKTNVIRDTSSPDYDERFKVDIQRTNRQFQRIFKRHGVKFEIYSRGGFLRSDTLIGTVNVKLQPLETKCEIHDTYDLMDGRKQVGGKLEVKIRVRNP--ILTKQM-----------EH----------------------ITEKWLVLDA 
 
MHI-DNIENLSDREFDYIVVGGGSAGAAVAARLSEDPAVSVALVEAGPDDRGVPEVLQLD---R------WM-ELLESGY-------DWDYPI-----------------------------EPQENGNSFMRHARAKVMGGCSSHNSCIAFWAPREDLDEWEAKYGATGWNAEAAWPLYKRLETNEDAGPDAPHHGDSGPVHLM-NVPPKDPTGVALLDACEQAGIPRAKFNTGTTVVNGANFFQINRRADGTRSSSSVSYIHPIVEQENFTLLTGLRARQLVFDADRRCTGVDIVDSAFGHTHRLTARNEVVLST--GAIDTPKLLMLSGIGPAAHLAEHGI-EVLVDSPGVGEHLQDHPEGVVQFEA-K---QPM-----------------------------------------------------------VAESTQWWEIGIFTPTEDGLDRPDLMMHYGSVPFDMNTLRHGYPTTENGFSLTPNVTHAR---SRG-TVRLRSR-DF-RDKPMVDPRYFTDPEGHDMRVMVA--GIRKAR-EIAAQPAMAEWTGRELSPGVEAQTDEELQDYIRKTHNTVYHPVGTVRM--GAVEDEMSPLDPELRVKGVTGLRVADASVMPEHVTVNPNITVMMIGERCADLIR---------- 
---TNMLE-A----------LQ-------Q----------RLEKYQSVEAAAKAENNSGKARRFGRIVKQYEDAIKLYKAGKPVPYDELPVPPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTSAGGT-PSS-SSATTPT-APRKAPSPPKPKELTTRTSGNQ--QKNNIAEQQMKLLLERQK---------------EFKLAAIEAKKAGEIDQAKEYLK--IF------------KG----------------------------------------------------------------------------FDSLLNAAS-SG---LPVDLSTLP---VPPSQRDNLEASFAIVSAEECDPTDDICEIGVRMEEQLAKQLMMCKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRKNEPLPKFHYEKRSF-NIVHCNTDL----T-DSELEIVVVRGISYN--V---ANPKDVDTYVRVEFPLLNDESFKTKTNVIRDTSSPDYDERFKVDIQR-TNRQFQRIFKRHGVKFEIYSRGGFLR--S---DTLIGTVN--------V--KL--QPLETKCEIHDTYDLMDGRKQVGGKLEVKIRVR-NP-ILTKQM-----------EH--------------ITEKWLVLDA 
 
YLPAQQIDVQSSLLSDPSKVAGKTYDYIIAGGGLTGLTVAAKLTENPKIKVLVIEKGFYESND---GAIIE---DP--N-AYGQ-IFGTTV-------DQNYLT-----------------------------VPLINNRTNNIKAGKGLGGSTLINGDSWTRPDKVQIDSWEKVFGM-EGW-NWDNMFEYMKKAEAARTPTAAQLAAGHSFNATCHGTNGTVQSGARDNGQPWSPIMKALMNTVSALGVPVQQDFLCGHPRGVSMIMNNLDENQVRVDAARAWLLPNYQRSNLEILTGQMVGKVLFKQTASGPQAVGVNFGTNKAVNFDVFAKHEVLLAA--GSAISPLILEYSGIGLKSVLDQA-NVTQLLDLPVGINMQDQTTTTVSSRA-------S-SAG------------------------------------------------------A---G-QGQAVFFANFTETFGDYAPQARDLLNTKLDQWAEETVARGGFHNVTALKVQYENYRNWLLDEDVAFAELFMDTE----------GKINFDLWDLIPFT---R-G-SVHILSS-DP-YLWQFANDPKFFLNEFDLLGQAA---ASKLARDLTSQGAMKEYFAGETLPGYNLVQNATLSQWSDYVLQNFRPNWHAVSSCSM-M-SR-ELGGVVDATAKVYGTQGLRVIDGSIPPTQVSSHVMTIFYGMALKVADAILDDYAKSA--------- 
---------------TN-ML-------EA-LQ---QR--LE-----------K-Y-QSVEAAAKAENNSGKARRFGRIVKQYEDAIKLYKAGKPVPYDELPVPPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTS-AGGTPSSSSATTPT-APRKAPSPPKPKELTTRTSGNQQK-NNIAEQQMKLLLERQKEFKLAAIE--AKKA-------------------------G-EIDQAKEYLKI---F-----------KG------------------------------------------------------------------------------FDSLLNAASSG----LPVDLSTLP-VP-PSQRDNLEASFAIVSAEECDPTDDICEIGVRMEEQLAKQLMMCKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRKNEPLPKFHYEKRSFNIVHCNTDLTD-S----------------------------------------------------ELEIVVVRGISYNVANPKDVDTYV-RVEFPLLNDESFKTKTNVIRDTSSPDYDERFKVD-IQRTNRQFQRIFKRHGVKFEIYSRGGFLR-SD--TLIGTVNV--------------KL--QPLETKCEIHDTYDLMDGRKQVGGKLEVKIRVRN-P-ILTKQ-----------MEHI--------------------TEKWLVLDA 
 
GIEASLLTDPKDVSGRTVDYIIAGGGLTGLTTAARLTENPNISVLVIESGSYESDR--GPIIED--LN--A--YGDIFGSSVD--------HAYET-----------------------------VELATNNQTALIRSGNGLGGSTLVNGGTWTRPHKAQVDSWETVFGNEGWNWDNVAAYSLQAERARAPNAKQIAAGHYFNASCHGVNGTVHAGPRDTGDDYSPIVKALMSAVEDRGVPTKKDFGCGDPHGVSMFPNTLHEDQVRSDAAREWLLPNYQRPNLQVLTGQYVGKVLLSQNGTTPRAVGVEFGTHKGNTHNVYAKHEVLLAA--GSAVSPTILEYSGIGMKSILEPLG-IDTVVDLPVGLNLQDQTTATVRSR--------ITSAG------------------------------------------------------A---G-QGQAAWFATFNETFGDYSEKAHELLNTKLEQWAEEAVARGGFHNTTALLIQYENYRDWIVNHNVAYSELFLDTA----------GVASFDVWDLLPF--TR-G-YVHILDK-DP-YLHHFAYDPQYFLNELDLLGQAA---ATQLAR-NISNSGAMQTYFAGETIPGDNLAYDADLSAWTEYIPYHFRPNYHGVGTCSM--MPKE-MGGVVDNAARVYGVQGLRVIDGSIPPTQMSSHVMTVFYAMALKISDAILEDYASMQ---------- 
-------TNM--L-------EALQQ---RL--E------------K-YQSVEAAAKAENNSGKARRFGRIVKQYEDAIKLYKAGKPVPYDELPVPPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTSA--GGTPSSSSATTPT-APRKAPSPPKPKELTTRTSGNQ-Q-KNNIAEQQMKLLLERQK------------------------EFKLAAIEAK-KAGEIDQAKEYLKI---F------------KG-----------------------------------------------------------------------------FDSLLNAASSG----LPVDLSTLP--VPPSQRDNLEASFAIVSAEECDPTDDICEIGVRMEEQLAKQLMMCKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRKNEPLPKFHYEKRSFNIVHCNTDLTD-S----------------------------------------------------ELEIVVVRGISYNVANPKDVDTYVRVEFPLLNDESFKTKTNVIRDTSSPDYDERFKVD-IQRTNRQFQRIFKRHGVKFEIYSRGGFLR--S---DTLIGTVN--V------------KL-QPLETKCEIHDTYDLMDGRKQVGGKLEVKIRVRN-P-ILTKQ-----------MEH---------------------ITEKWLVLDA 
 
TPYDY-IIVGAGPGGIIAADRLSEAGKKVLLLERGGPSTKQTGGTYVAPWATSSGLTKFDIPGLFES--LF-T-DSNPFW---WCKDIT--------------------------------------VFAGCLVGGGTSVNGALYWYPNDGDFSSSVGWPS-S--WT--NHAPYTSKLSSRLPSTDHPSTDGQRYLEQSFNVVSQLLKGQGYNQATINDNPNYKDHVFGYSAFDFLNGKRAGPVATYLQTALARPNFTFKTNVMVSNVVRNGSQILGVQTNDPTLGPNGFIPVTPKGRVILSA--GAFGTSRILFQSGIGPTDMIQTVQSNPTAAAALPP--QNQWINLPVGMNAQDNPSINLVFTHPSIDAYENWADVWSNPRP-------------------------------------------------ADAAQYLANQS----------GVFAGASPKLNFWRAYSGSDGFTRYAQGTVRPG-AASVNSSLPYNASQIFTITVYLSTGIQ--SR-GRIG-ID--AAL---RGTVLTPPWLVNPVDKTVLL-QA-LHD-V--VSNIGSIPGLTMITPDVTQTLEEYVDAYDPATMNSNHWVSSTTI--GSSPQ-SAVVDSNVKVFGTNNLFIVDAGIIPHLPTGNPQGTLMSAAEQAAAKILALAGGP---------- 
TN---MLEALQ-------Q---------RLEKYQSVEAAAKAENNSGKARR------F-GRIVKQYEDAIKLYKAGKPV-PYDELPVPPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTSAGGTPSSSSATTPT-APRKAPSPPKPKELTTRT---SGNQQKNNIAEQQMKLLLERQKEFKLAAIE---AKKA-GEIDQAKEY-LK---I-------------FKG---------------------------------------------------------------------------FDSLLNAASSG----LPVDLSTL--------------PVPPSQRDNLEASFAIVSAEECDPTDDICEIGVRM----------EEQLAKQLMMCKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRK----------NEPLPKFHYEKRS-F-NIVHCNTDLTD------SELEIVVVRGISYNVA----NPKDVDTYVRVEFP-LLNDESFKTKTNVIRDTSSPDYDERFKVDIQ-RTNRQFQRIFKRHGVKFEIYSRGGFL-RS--DTLIGTVN------VK--L-QP-LETKCEIHDTYDLMDGRKQVGGKLEVKIRVR-N-PILTKQM-----------EH--------------------ITEKWLVLDA 
 
LATTSDHDFSYLSFAY-DATDLELEGSYDYVIVGGGTSGCPLAATLSEKYKVLVLERGSLPTA--YPNVLT---AD--G--FVYNLQQED--D-GK-TP-VERFVS-------------------------------E--DGIDNVRGRVLGGTSIINAGVYARANTSIYSASGVD----WDMDLVNQTYEWVEDT-IVY-KPNS-QSWQSVTKTAFLEAGVHPNHGFSLDHEEGTRITGSTFDNKGTRHAADELLNKGNSNNLRVGVHASVEKIIFSNAPGLTATGVIYRDSNGTPHQAFVRSKGEVIVSA--GTIGTPQLLLLSGVGPESYLSSLNIP--VVLSHPYVGQFLHDNPRNFINILP------P--NPI--------------------------------------------------------E-PTIVTVLGI-SN--DFYQCSFSSLPFTTPPFGFFPSSSYPLPNSTFAHFASKVAGPL---SYG-SLTLK--SSSNVRVSPNVKFNYYSNLTDLSHCV-S-GMKK-I-GELLSTDALKPYKVEDLPGVEGFNILGIPLPKDQTDDAAFETFCRESVA-SYWHYHGGCLV-------G-KVLDGDFRVTGINALRVVDGSTFPYTPASHPQGFY-LMLGRYVGIKILQERSASD-------- 
----------------TNMLEAL-----------Q-------Q--------RLEKYQSVEAAAKAENNSGKARRFGRIVKQYEDAIKLYKAGKPV-PY-DELPVPPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTSAGGTPSSSSATTPT-APRKAPSPPKPKELTT-RTSGNQQKNNIAEQQMKLLLERQKEFKLAAIEAKKAGEIDQAKEYLK--IF------------KG----------------------------------------------------------------------------FDSLLNAASSG----LPVDLSTLP----VPPSQRDNLEASFAIVSAEECDPTDDICEIGVRMEEQLAKQLMMCKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRKNEPLPKFHYEKRSFNIVHCNTDLTDSELEIVVVRGI-----S--YN----VANPKDVDTYVRVEFPLLNDESFKTKTNVIRDTSSPDYDERFKVDIQR-TNRQFQRIFKRHGVKFEIYSRGGFLR--SD--T---------LIGTVNV-------------K---LQPLETKCEIHDTYDLMDGRKQVGGKLEVKIRVR-NP-ILTKQM-----------EH--IT------------------EKWLVLDA 
 
RTLADGDRVPALVIGSGYGGAVAALRLTQAGIPTQIVEMGRSWDTPGSD------GKIFC--GMLNPDKRSMWLADKTDQPVSNFMGFGINKSIDRYVGV-LDSERF----------------------------------SGIKVYQGRGVGGGSLVNGGMAVTPKRNYFEEILPSV-----DSNEMYNKYFPRANTGLGVNNIDQAWFESTEWYKFARTGRKTAQRSGFTTAFVPNVYDFEYMKKEAAGQVTKSGLGGEVIYGNNAGKKSLDKTYLAQAAATGKLTITTLHRVTKVAPATGSGYSVTMEQIDEQGNVVATKVVTADRVFFAA--GSVGTSKLLVSMKAQGHL-------PNLSSQVGEGWGNNGNIMVGRAN------------HMWDA-----------------------------------------------T-G-SKQATIPTMGIDNWADPTAPIFAEIAPLP--A-G-LETYVSLYLAITKNP----ERA-RFQFNSGTG-----KVDLTWAQSQ--NQKGID--MAKKV-FDKINQKEGTIYRTDLFYYKTWGDD-FTYHPLGGVLL--N------KATDNFGRLPEYPGLYVVDGSLVPGNVGVNPFVTITALAERNMDKIISSDI---------- 
-TNML------EALQ--------Q---------RLEKYQSVEAAAK---AENNSGKARRFGRIVKQYEDAIKL-Y-KA-------------GKPVPY---DELPVPPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTSAGGTPSSSSATTPT-APRKAPSPPKPK-ELT--TRTSGNQQKNNIAEQQMKLLLERQKEFKLAAIEAKKAG-----E-IDQAKEYLK--IFKG-----------------------------------------------------------------------------------------------------FDSLLNAASSGL-PVDL---STLPVPPSQRDNLEASFAIVSAEECDPTDDICEIGVRMEEQLAKQLMMCKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRKNEPLPKFHYEKRSFN-IVHCNT-DLTD-SELEIVVVRGISYNVANPKDVDTYVRVEFPLLNDESFKTKTNVIRDTSSPDYDERFKVDIQRTNRQFQRIFKRHGVKFEIYSRGGFLRSDTLIGTV---NVKLQPLETKCEIHDTYDLMDGRKQVGGKLEVKIRVRN-P-ILTKQM-----------EH------------------ITEKWLVLDA 
 
GYVPAVVIGTGYGAAVSALRLGEAGVQTLMLEMGQLWNQPGPD------GNIFC--GMLNPDKRSSWFKNRTEAPLGSFLWLDVVNRNIDPYAGV-LDRVNY----------------------------------DQMSVYVGRGVGGGSLVNGGMAVEPKRSYFEEILPRV----DSSEMYDRYFPRANSMLRVNHIDTKWFEDTEWYKFARVSREQAGKAGLGTVFVPNVYDFGYMQREAAGEVPKSALATEVIYGNNHGKQSLDKTYLAAALGTGKVTIQTLHQVKTIRQTKDGGYALTVEQKDTDGKLLATKEISCRYLFLGA--GSLGSTELLVRARDTGTL-------PNLNSEVGAGWGPNGNIMTARAN-----------HMW-NP-----------------------------------------------T-GAHQSSIPALGIDAWDNSDSSVFAEIAPMP--A-G-LETWVSLYLAITKNP----QRG-TFVYDAATD-----RAKLNWTRDQ--NAPAVN---AAKALFDRINKANGTIYRYDLFGTQLKAFADD-FCYHPLGGCVL--G------KATDDYGRVAGYKNLYVTDGSLIPGSVGVLPFVTITALAERNVERIIKQDV---------- 
TNM--LEALQ-------Q---------RLEKYQSVEAAAK---AENNSGKARRFGRIVKQYEDAIKL-Y--KA------------GKPVPY----DELPVPPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTSAGGTPSSSSATTPT-APRKAPSPPKPK-ELTT-RTSGNQQKNNIAEQQMKLLLERQKEFKLAAIEAKKAG-----E-IDQAKEYLK---IFKG----------------------------------------------------------------------------------------------------FDSLLNAASSGL-PVDL---STLPVPPSQRDNLEASFAIVSAEECDPTDDICEIGVRMEEQLAKQLMMCKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRKNEPLPKFHYEKRSFNIVHCNT-DLTD-SELEIVVVRGISYNVANPKDVDTYVRVEFPLLNDESFKTKTNVIRDTSSPDYDERFKVDIQRTNRQFQRIFKRHGVKFEIYSRGGFLRSDTLIGTV-----NVKLQPLETKCEIHDTYDLMDGRKQVGGKLEVKIRVR-NP-ILTKQM-----------EH------------------ITEKWLVLDA 
 
TSAERAEKLQGMGCKRKRVEDIRFTQGKGNYVDDVKLPGMLFGDFVRSSHAHARIKSIDTSKAKALPGVFAVLTAADLKPLNLHYMPTLAGDVQAVLADEKVLFQNQEVAFVVAKDRYVAADAIELVEVDYEPLPVLVDPFKAMEPDAPLLREDIKDKMTGAHGARKHHNHIF----RWEIGDKEGTDATFAKAEVVSKDMFTYHRVHPSPLETCQCVASMDKIKGELTLWGTFQ-----------APHVIRTVVSLISGLPEHKIHVIAPDIGGGFGNKVGAYSGYVCAVVASIVLGVPVKWVE---DRM---------------------ENLST--------TSFARDYHMTTELAATKDGKILAMRCHVLADHGAFDACADPSKWPAGFMNICTGSYDMPVAHLAVDGVYTNKASGGVAYRSFRVTEAVYAI--ERAIETLAQRLEMDSADLRIKNFIQPEQ-FPYMAPLGWEYDSGNYPL---------------AMK--KAMDTVGYHQLRAEQKAKQEAFKRGETREIMGI--------------------------------GI-SFFTEIVGAGPSKNCDILGVSMFDSAEIRIHPTGSVIARMGTKS---QGQGHETTYA----QIIATELGIPADDIMIEEGNTDTAPYGLGTYGSRSTPTAGAATAVAARKIKAKAQMIAA-HMLEVHEGDL-E-WDVDRFRVKGLPEKFKTMKELAWASYNSPPP------------NLEPGLE-AVNYYDPPNMTYPFGAYFCIMDIDIDTGVAKTRRFYALDDCGTRINPMIIE----------------GQVHGGLTEAF-AVAMGQEIRYDEQGNV----LGASFMDFFLPTAVETPKW---ETDYTVTPSPHHP-----------IGAKGV----------GES--PHVGGVPCFSNAVNDAYAFLNAGHIQMPHDAWRLWK------VGEQLGLHV-------------------- 
----------------------------------------------------------------------------------------------------------------------------------------------TN-----MLE------A-L-QQRLEK-YQSVEAAAKAEN------------------------------------------------------NSGKARRFGRIVKQYED-A-------------------------IKLYKAGKPVPY-----------DELPVPPGFGPLPTADAAPVAPTPSLPTSPTSPPPTASTSAGGTPSSS--------------------------S---ATT------PTAP----------------------------RK--APSPP-KPK--ELTT-RT-SGN--QQK--NNIAEQQMK---LLLERQKEFKLAAI-----EAKKAGEIDQAKEYLK--IFKG-------------------------------FDSLLNAASSGLPVDLSTLPVPPSQRDNLEASF-AI-------------------------------------------VSAEECDPTDDICEIGVRMEEQLA-KQL--------------------------------M-MCK--NTRDHHKAMGDVAGMNRFENLALTVQ----------------------------KDLDLVRYSKRKNEPLPKFHYEKRSFN--IVHCNTDLT----------------DSELEIVVV--------RGISYNVANPKDVDTYVRV--EFPLLNDESFKTKTNVIRDTSSPDYDERFK---VDIQRTNRQFQRIFKRHGVK---------FEIYSRGGFLRS-----DTLIGTVNVKLQ-PLETKCEIH-DTY-DLM-DG-RKQVGGKL---------EVKIRVR--------NPILTKQMEHITEKWLVLDA 
 
GF-------------------FTRW--FMSTNHKDIG-IL-YLF-TAG-IVGLISVCFTVY----M-RMELQHPGVQYMCLEGARLIADASAECTPNGHLWNVMITYHGVLMMFFVVIPALFGGFGNYFMPLHIGAPDMAFPRLNNLSYWMYVCGVALGVASLLAPGGNDQMGSGVGWVLYPPLSTTEAGYSMDL---AIFAVHVSGASSILGAI------------------------------NI-ITTFLNMRAPGMTLFKVPLFAWSVF-ITAWLILLSLPVLAGAITMLLMDRNFGTQFF--DP--AGG-GDPVLYQHILWFFGHPEVYIIILPGFGIISH-VISTF-AKKPIFGY-----------------------------------------------------LP-MVLAMA--A-IGI---------------------LGFVVW---AHHMY------------------TAGMSLTQQAYFMLATMTIAVPTGIKVF-SWIATMWGGSIEFKTPMLWAFGFLFLFTVGGVTGVVLSQAPLDRVYHDTYYVVAHFHYVMSLGAVFGIFAGVYYWIGKMSGRQYPEWAGQLHFWMMFIGSNLIFFPQHFLGRQGMPRRYIDYPVEFAYWNNISSIGAYISFASFLFFIGIVFYTLFAGKRVNVPNYWNEHADTLEWTLPSPPP------------------------------------------EHTFET 
--TNMLEALQQRLEKYQSVEAAAK-AENNSGKARRFGRIVKQYEDAIKLYKAGKPVPYDE-LPVPPGFGPLPTAD-A----------APVAPTPSLPTSPTSP--P-------------------------------------------------------------P------TASTSAGG-------------TPSSSSATTPT-APRKAPSPPKPKELTTRTSGNQQKNNIAEQQMKLLLERQKEFKLAAIEAK--KAGEIDQAKEYLK-IFK-GF--D---SL--LNAAS-SG----LPVDLSTLPVPPSQRDNLEASFA--I-VSA-EE-CDPTDDICEIGVRMEEQLAKQLMMCKNTRDHHKAMGDVAGMNRFENLALTVQKDLDLVRYSKRKNEPLPKFHYEKRSFNI-VHCNTDLTDSELEIVVVRGISYNVANPKDVDTYVRVEFPLLNDESFKT-KTNVIRDTSSPDYDERFKVDIQR--TNRQFQRIFKRHGVKFEIYSRGGFLRSDT------------LIGTV--NV--K--L--------------------QPL-ET---------------------------------------------------------------------------------------------------------------------------KCEIHDTYDLMDGRKQVGGKLEVKIRVRNPILTKQMEHITEKWLVLDA 
 
(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.
10.8493 2.63 0.07 0.910.70373blyA 1.1.3.10
 
20.5396 4.74 0.08 0.680.46311galA 1.1.3.4
 
30.5389 4.56 0.07 0.670.45161gpeB 1.1.3.4
 
40.5454 4.90 0.06 0.710.42682jbvA 1.1.3.17
 
50.5181 4.73 0.06 0.660.40483cnjA 1.1.3.6
 
(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
10.8541 2.60 0.07 0.912igoH 0.71 GO:0050233 GO:0050660 GO:0050662 GO:0006006 GO:0006066 GO:0009987 GO:0055114
20.8493 2.67 0.07 0.912f6cA 0.70 GO:0050233 GO:0050660 GO:0050662 GO:0006006 GO:0006066 GO:0009987 GO:0055114 GO:0005623 GO:0042597
30.7331 2.74 0.07 0.792igoH 0.60 GO:0050233 GO:0050660 GO:0050662 GO:0006006 GO:0006066 GO:0009987 GO:0055114
40.7323 2.74 0.07 0.792f6cA 0.60 GO:0050233 GO:0050660 GO:0050662 GO:0006006 GO:0006066 GO:0009987 GO:0055114 GO:0005623 GO:0042597
50.5396 4.74 0.08 0.681galA 0.46 GO:0046562 GO:0050660 GO:0050662 GO:0006066 GO:0009987 GO:0055114 GO:0005576
60.5389 4.56 0.07 0.671gpeB 0.45 GO:0046562 GO:0050660 GO:0050662 GO:0006066 GO:0009987 GO:0055114 GO:0005576
70.5458 4.90 0.06 0.712jbvB 0.42 GO:0033713 GO:0050660 GO:0050662 GO:0006066 GO:0009987 GO:0055114
80.5181 4.73 0.06 0.663cnjA 0.40 GO:0016995 GO:0050660 GO:0050662 GO:0006066 GO:0008203 GO:0009058 GO:0009987 GO:0044249 GO:0055114 GO:0005576
90.5179 4.69 0.04 0.663coxA 0.37 GO:0016995 GO:0050660 GO:0050662 GO:0006066 GO:0008203 GO:0009058 GO:0009987 GO:0044249 GO:0055114 GO:0005576
100.3414 6.50 0.07 0.521qleA 0.29 GO:0004129 GO:0005506 GO:0005507 GO:0009055 GO:0015002 GO:0016676 GO:0020037 GO:0022892 GO:0043169 GO:0006818 GO:0009060 GO:0009987 GO:0015992 GO:0022900 GO:0005622 GO:0005623 GO:0005737 GO:0005739 GO:0005740 GO:0005746 GO:0005886 GO:0016021 GO:0031975 GO:0043229 GO:0044429 GO:0044444 GO:0044455 GO:0070469

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00054880.502  GO:00442370.502  GO:00056230.246
GO:00164910.502  GO:00099870.502  GO:00444640.246
GO:00506600.472  GO:00551140.502  GO:00055760.169
GO:00166140.472  GO:00060660.472  GO:00425970.130
GO:00305540.472  GO:00442380.339  GO:00057370.116
GO:00170760.472  GO:00060060.261  GO:00444240.116
GO:00168990.472  GO:00442620.261  GO:00056220.116
GO:00001660.472  GO:00059960.261  GO:00432270.058
GO:00480370.472  GO:00059750.261  GO:00432290.058
GO:00506620.472  GO:00193180.261  GO:00432260.058

(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:
PRO:120  GLU:122  THR:124  THR:125  ARG:126  THR:127  GLN:140  
LEU:205  ASP:419  LEU:420  MET:421  ASP:422  ARG:424  LYS:425  
GLN:426  VAL:427  GLY:428  GLY:429  VAL:433  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11qleA0.3414 6.50 0.07 0.51 0.74Download120,122,124,125,126,127,140,205,419,420,421,422,424,425,426,427,428,429,433
23b3rA0.5190 4.66 0.06 0.65 0.36Download4,14,15,44,104,105,106,107,108,109,110,113,114,115,116,117,182,411,445,446,447
31coy_0.5179 4.67 0.05 0.65 0.35Download4,8,14,15,24,44,104,105,106,107,108,109,110,113,114,115,116,117,411,445,446,447
41ju2A0.5200 4.72 0.05 0.65 0.35Download4,8,14,15,44,104,105,106,107,108,109,110,113,114,115,116,117,411,445,446,447
51gpeA0.5392 4.55 0.08 0.66 0.30Download4,14,15,104,105,106,107,108,109,110,112,113,114,115,116,117,151,359,411,445,446,447
61kdgB0.5240 5.27 0.05 0.68 0.27Download4,8,14,15,104,105,106,107,108,109,110,112,113,114,115,116,117,151,411,445,446,447
72jbvB0.5458 4.90 0.06 0.69 0.26Download4,14,15,44,104,105,106,107,108,109,110,113,114,115,116,117,151,411,445,446,447
81cf3A0.5369 4.71 0.08 0.67 0.26Download4,14,15,104,105,106,107,108,109,110,112,113,114,115,116,117,151,411,444,445,446,447
93bg6A0.8543 2.59 0.07 0.89 0.25Download4,8,14,15,16,44,105,106,107,108,109,110,112,113,114,115,116,117,151,411,445,446,447
102yr5A0.3447 6.35 0.05 0.51 0.23Download60,61,101,102,103,104,109,113,181,182,185,190,191,192,212,345,346,347,348,349,350,351,355,359,360,361,362,408,409,410,411,412,413

(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).