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I-TASSER results for job id S34191

  Submitted Sequence

>hAS3MT-ok
MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTTARPVPKHIREALQNVHEEVALRYYG
CGLVIPEHLENCWILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHME
KYGFQASNVTFIHGYIEKLGEAGIKNESHDIVVSNCVINLVPDKQQVLQEAYRVLKHGGE
LYFSDVYTSLELPEEIRTHKVLWGECLGGALYWKELAVLAQKIGFCPPRLVTANLITIQN
KELERVIGDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIV
EVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRC
VPDAAGGCCGTKKSC

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320                 340                 360
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                
MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTTARPVPKHIREALQNVHEEVALRYYGCGLVIPEHLENCWILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHMEKYGFQASNVTFIHGYIEKLGEAGIKNESHDIVVSNCVINLVPDKQQVLQEAYRVLKHGGELYFSDVYTSLELPEEIRTHKVLWGECLGGALYWKELAVLAQKIGFCPPRLVTANLITIQNKELERVIGDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC
PredictionCCCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCSSSSSCCCCHHHHHHHHHHHCCCCSSSSSSCCHHHHHHHHHHHHHHHHHHCCCCCCSSSSSSCHHHCCCCCCCCCCSSSSSHHHHHHHCCCHHHHHHHHHHHCCCCSSSSSSSCCCCCCCCHHHHHHHHHHHHHHCCCCCHHHHHHHHHHCCCCCSSSSSCCCCCCCCHCHHHHHCCCSSSSSSSSSSSCCCCCCCSSSSSSSCCCCCCCCCSSSCCCCCSSSCCCSSSSCHHHHHHHHCCCCCCCSSSCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score976531779999999999997240144666332456676603799999888999987522687330104899899947885299999999838997799995999999999999998788737788864999945675855669998579997552798698999999999987647739999970467777888876199876664258999999999998699634985254013366609988457528999999873577778431699978777898514770899489789788778999999854856763785378516678898777887654589067605578988876898888776899899

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score=-4.26
 C-score=-4.47
 C-score=-4.42
 C-score=-4.55
 C-score=-4.55
 
Estimated accuracy of Model1: 0.26±0.08 (TM-score)    17.5±2.6Å (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
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |               
Sec.Str
Seq		CCCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCSSSSSCCCCHHHHHHHHHHHCCCCSSSSSSCCHHHHHHHHHHHHHHHHHHCCCCCCSSSSSSCHHHCCCCCCCCCCSSSSSHHHHHHHCCCHHHHHHHHHHHCCCCSSSSSSSCCCCCCCCHHHHHHHHHHHHHHCCCCCHHHHHHHHHHCCCCCSSSSSCCCCCCCCHCHHHHHCCCSSSSSSSSSSSCCCCCCCSSSSSSSCCCCCCCCCSSSCCCCCSSSCCCSSSSCHHHHHHHHCCCCCCCSSSCCCCCCCCCCCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCC
MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTTARPVPKHIREALQNVHEEVALRYYGCGLVIPEHLENCWILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHMEKYGFQASNVTFIHGYIEKLGEAGIKNESHDIVVSNCVINLVPDKQQVLQEAYRVLKHGGELYFSDVYTSLELPEEIRTHKVLWGECLGGALYWKELAVLAQKIGFCPPRLVTANLITIQNKELERVIGDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC
13dh0A 0.20 0.15 0.46 1.93Download ------------------------------------------------KFDPSKIKKLDDPSRLELGLKEGMTVLDVGTGAGFYLPYLSKMVGEKGKVYAIDVQEEMVNYAWEKVNK------LGLKNVEVLKSEENKIP---LPDNTVDFIFMAFTFHELSEPLKFLEELKRVAKPFAYLAIIDWKKEERDK----------GPPPEEVYSEWEVGLILEDAGIRVGRVVEVGKAMIV----------------------------------------------------------------------------------------------------------------------------------------
22o57A 0.17 0.18 0.72 1.06Download -----SKTVKDNAEIYYDDDDSDRGGEDIHVGLYKEPVDQDEIREASLRTDEWLASELATGV-----LQRQAKGLDLGAGYGGAARFLVRKFG--VSIDCLNIAPVQNKRNEEYNNQAGL-----ADNITVKYGSFLEIP---CEDNSYDFIWSQDAFLHSPDKLKVFQECARVLKPRGVAITD-PKEDGIDKSSI---QPILDRIKLHDGSLGLYRSLAKECGLVTLRTFSRPDSLVHHSKVKAELIK-----------RSSEIASF-------------CSPEFQANKRGL----------EHWIEGGRAGKLTWGGLFRKSDKI------------------------------------------------
32o57A 0.19 0.18 0.71 1.68Download -----SKTVKDNAEIYYDDDVWGGEDIHVGLYKEPVDQ--DEIREASLRTDEWLASELA-T----GVLQRQAKGLDLGAGYGGAARFLVRKFG--VSIDCLNIAPVQNKRNEEYNNQAGL-----ADNITVKYGSFLE---IPCEDNSYDFIWSQDAFLHSPDKLKVFQECARVLKPRGV-AITDP-KEDGIDKSSIQ-PILDRIKLHD-GSLGLYRSLAKECGLVTLRTFSRPDSLVHH--YSKVKAELIK-----RSSEIASFCSPEFQAN--KRGL-------------------------EHWIEGRAGKLTWG-LFRKSDK-I-----------------------------------------------
42o57A 0.17 0.18 0.71 2.10Download -----SKTVKDNAEIYYDDDDSDRGGEDIHVGLYKEPVDQDEIREASLRTDEWLASELATGVL-----QRQAKGLDLGAGYGGAARFLVRKFG--VSIDCLNIAPVQNKRNEEYNNQA-----GLADNITVKYGSFLEIP---CEDNSYDFIWSQDAFLHSPDKLKVFQECARVLKPRGVAITDPKEDGID----KSSIQPILDRIKLHDGSLGLYRSLAKECGL------VTLRTFSRPDSLVHHY--------------------------------------------------------SKVKAELIKRS------------------------SEIASFCSPEFQANKRGLEHWIEGGRAGKLTWKSDKI
51xxlA 0.20 0.17 0.61 1.30Download -------------------------------------------------------HHHSLGLIKTAECRAEHRVLDIGAGAGHTALAFSPYVQ---ECIGVDATK-EVEVASSFAQEKG------VENVRFQQGTAESLP---FPDDSFDIITCRYAAHHFSDVRKAVREVARVLKQDGRFLLVDHYAPEDLDEFVNHLNRLRDPSHVRESSLSEWQA-FSANQLAYQDIQKWNLPIQYDSWIKRGGTPADREKQIITHLNHASDEARDTFCITLNQN------------------GQPISFCLKAILIQGIKREG-----------------------------------------------------------
63busA 0.18 0.18 0.57 1.46Download --------------------------IWGENLHFGYDAGAVSVDDATDRLTDE-IALL--------DVRSGDRVLDVGCGIGKPAVRLATA--RDVRVTGISISRPQVNQANARATAAGL-----ANRVTFSYADA-DLP---FEDASFDAVWALESLHH-PDRGRALRE-ARVLRPGGTVAIADFVLLAPVEGAKKEAVDRAGGGVLSLGGIDEYESDVRQAELVVTSTVDISAQKTAEEGLDGLAEVPEAGYVLIGARKP-----------------------------------------------------------------------------------------------------------------
73g5lA 0.17 0.15 0.53 2.91Download --------------------------------------------------EGLKAAGEWHELKKMLPDFNQKTVLDLGCGFGWHCIYAAEH--GAKKVLGIDLSERMLTEAKRKT---------TSPVVCYEQKAIEDIAI---EPDAYNVVLSSLALHYIASFDDICKKVYINLKSSGSFIFSVEHPVFYFNESMRTSHFLGEDVQKYHRTVTTYIQTLLKNGFQINSVIEPEPAPELKDLPEMQDEYRRPMMLLISATKQE----------------------------------------------------------------------------------------------------------------
83bkxA 0.17 0.19 0.43 1.57Download --------------------------------------------------------RLDYITDL-ALGPTGEKILEIGCGQGDLSAVLADQVGSSGHVTGIDIASPTLGQAWNHLLAGPLG-----DRLTVHFNTNLSDDLGPIADQHFDRVVLAHSLWYFASANALALLFKN-AAVCDHVDVAEWTALDQIGHLQAA-IQGLLYAIRTLITPDTLAQIAHDNTW------------------------------------------------------------------------------------------------------------------------------------------------------
92o57A 0.17 0.18 0.71 1.73Download -----SKTVKDNAEIYYDDDDSDRFGEDIHVGLYKEPVDQDEIREASLRTDEWLASEL-----ATGVLQRQAKGLDLGAGYGGAARFLVRKFG--VSIDCLNIAPVQNKRNEEYNNQAGL-----ADNITVKYGSFLEIP---CEDNSYDFIWSQDAFLHSPDKLKVFQECARVLKPRGVAIT-DPKEDGIDKSSI---QPILDRIKLHDGSLGLYRSLAKECGLVTLRTFSRPDSLVHSKVKAELIKRSSEIASFCSPEFQANKRGLEHWIEGGRAGKLTWGGLFRKSDKI-----------------------------------------------------------------------------------
101xxlA 0.21 0.17 0.61 0.98Download --------------------------------------------------------HHHSLGLITAECRAEHRVLDIGAGAGHTALAFSPYVQ---ECIGVDATK-EVEVASSFAQEKG------VENVRFQQGTAESLP---FPDDSFDIITCRYAAHHFSDVRKAVREVARVLKQDGRFLLVDHYAPEDLDEFVNHLNRLRDPSHVRESSLSEWQAF-SANQLA-YQDIQKWNLPIQYDSWIKRGG--------------TPADREKQIITHLNHASDEARDTFCITLN---QNGQPISFCLKAILIQGIKREG-----------------------------------------------------------
(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: SP3   2: MUSTER   3: HHSEARCH   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
10.4805 3.92 0.10 0.582vdwA
Model1
 
20.4606 4.44 0.12 0.581rjdA
Model1
 
30.4593 4.21 0.14 0.571xvaA
Model1
 
40.4542 2.42 0.20 0.493dh0A
Model1
 
50.4542 3.77 0.15 0.553bgvA
Model1
 
60.4492 4.88 0.11 0.592ckdA
Model1
 
70.4480 3.90 0.12 0.551hnnA
Model1
 
80.4474 3.59 0.14 0.533g5tA
Model1
 
90.4467 4.39 0.12 0.572efjA
Model1
 
100.4449 4.47 0.11 0.571uirA
Model1
 
Structural alignment using TM-align
 
---------------D-KFRLNPEVSYFTNKRTRGPLGIL-SN-YVK-----------------TLLISMYCSKTFLDDSNKRKVLAIDFGNGADLEKY-FYGE-IALLVATDPDADAIARGNERYNKLNS----K-YYKFDYIQETIRSDTFVSSVREVFYFGKFNIIDWQFAIHYSFHPRHYATVMNNLSELTASGGKVLITTMDGDKLSKLTDKKTFIIHKNLPSSENYMSVEKIADDRIVVYNPSTMSTPMTEYIIKKNDIVRVFNEYGFVLVDNVDFATIIERSKKFINGASTMEDRPSTRNFFELNRGAIKCE-GLDVEDLLSYYVVYVFSKR-------------------------------------------------------------------------------------------------------------------- 
MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTTARPVPKHIREALQNVHEEVALRYYGCGLVIPEHL--E-N--------CWILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHMEKYGFQASNVTFIHGYI--E--KL--GEAGIKNESHDIVVSNCVINLV---PDKQQVLQEAYRVLKHGGELYFSDVYT--S--L--ELPEEI-----R---THKVL--------WGE------CLGGALYWK-ELAVLAQKIGFCPPRLVTAN--LI---------------------------TIQNKELERV--IGDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC 
 
-------------------ERI-IQQTD-YDALSCKLAAISVGYLPSSGLQRLSVDLSKKYTEWHRSYLITLKKFSRR-------AFGKVDKAMRSSFPVMNYGTYLRTVGIDAAILEFLVANEKVQVVNLGCGSDLRMLPLLQM-FPHLAYVDID-YNESVELKNSILRES-EILRISLGLSKEDTAKSPFLIDQGRYKLAACDLNDITETTRLLDVCTKREIPTIVISECLLCYMHNNESQLLINTIMSKF-SHGLWISYDPIGGSQPNDRFGA-------IMQSNLKESRNLEMPTLMTYNSKEKYASRWS--AAPNVIVNDMWEIFNAQIPESERKRLRSLQFLDELEELKVMQTHYILMKAQ-W-------------------------------------------------------------------------------------------------------------H------ 
MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTTAR-PV---PKHI-REA---------------------------LQNVHEEVA-LRY-YG-------C-GLV--IP--E--HL--E---N-CWILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHMEKYGFQAS----------------NVTFIHGYI--E--KL--GEAGIKNESHDIVVSNCVINLVP--DKQQVLQEAYRVLKHGGELYFSDVYTSL--------ELPEEIRTHKVLW--G--ECLGGA-LY--WKELAVLAQKIGFCPPRLVTAN--L---I----T--IQ-NKELER--VIG-DCR--FVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC 
 
VDSVY----RTRSLGVAAEGIP---DQY--ADGE---AARVWQLYIGDTRSRTAEYKAWL------------------LGLLRQHGCHRVLDVACGTGVDSIMLVEE-G--FSVTSVDASDKMLKYALKERWNRRK--EPAFDKWVIEEANWLTLDKDVPAGDGFDAVICLGNSFAHLPDSKGDQSEHRLALKNIASMVRPGGLLVIDHRNYDYILSTGCAPPGKNIYYKSDLTKDITTSVLTVNNKAHMVTLDYTVQVPGAGRDGAPGFSKFRLSYYPHCLASFTELVQEAFGGRCQHSVLGDFKPYRPGQAY------------VPCYFIHVLK-K-------------------------------------------------------------------------------------------------------------TG----- 
-----MAALRDAEIQKDV----QTYYG-QVL---KRSADLQTNGCVTTARPVPKHIREALQNVHEEVALRYYGCGLVIPEHLE---NCWILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHMEKYGFQASNVTFIHGYIEKLGEAGIKNESHDIVVSN-CVINLVP-------DKQQVLQEAYRVLKHGGELYFSDVYT--S-----LELPE--------EIRTHKV------------LWG------------------ECLGGALYWKELAVLAQKIG-F-CPPRLVTANL--------ITIQNKELERVIGDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC 
 
----------------------KFDPSKIKKLD-DPSRLELFDPEKVLKEF-------------------GLKEGMTVLDVGTGAGFYLPYLSKMVGEKGKVYAIDVQEEMVNYAWEKVNKLG------LKNVEVLKSEENKIP---LPDNTVDFIFMAFTFHELSEPLKFLEELKRVAKPFAYLAIIDWKKEERD-K---------GPPPEEVYSEWEVGLILEDAGIRVGRVVEVG--------------KYCFGVYAMIV-------------------------------------------------------------------------------------------------------------------- 
MAALRDAEIQKDVQTYYGQVLKRSADLQTNGC-VTTARPVPKHIREAL---QNVHEEVALRYYGCGLVIPEHLENCWILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHMEKYGFQASNVTFIHGYIEKLGEAGIKNESHDIVVSNCVINLVPDKQQVLQEAYRVLKHGGELYFSDVYTSLELPEEIRTHKVLWGECLGGALYWKELAVLAQKIGFCPPRLVTANLITIQNKELERVIGDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC 
 
--------------------------------RIFYLRNFNNWMKSVLI-----------------GEFLEKVRQKKDITVLDLGCGKGGDLLKWKKG-R-INKLVCTDIADVSVKQCQQRYEDMKNR-RDSYIFSAEFITADSSKELLIDKFRDPQMCFDICSCQFVCHYSFESYEQADMMLRNACERLSPGGYFIGTTPNSFELIRRLEASETES--FGNE-IYTVKFQKKGDYPLFGCKYDFNLEDVPEFLVYFPLLNEMAKKYNMKLVYKKTFLEFYEEKIKNNENKMLLKRMQLPLGTLSKSEWEATSIYLVFAFEKQ-------------------------------------------------------------------------------------------------------------Q------ 
MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTT-ARPVPKHIREALQNVHEEVALRYYGCGLVIPEHLE--N----CWILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHMEKYGFQASNVTFIHGYI---EKLG-EAGIKNESHDIVVSNCVINLV-P---DKQQVLQEAYRVLKHGGELYFSDVYT--S--LE-------LPEEIRTHKVL-----------------WG-ECLGGALYWKELAVLAQKIGFCPPRLVTAN--LI-----------TI-----QNKELERVI--GDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC 
 
W-------D--------I--KT--SVGTTAVMVAAARAAETDRPDALIRDPY---AKLL---VTNTGAGAL-WEAMLDPSMVAKVEAIDAEAAAMVEHM-RSYQAVRTNFFDTYFNNAVIDGIRQFVILASGLDSRAYR--LDWPTGTTVYEID-QPKVLAYKSTTLAEH-GV--TPTADRREVPIDLRQDWPPALRSAGFDPSARTAWLAEGLLMYLPATAQDGLFTEIGGLSAVGSRIAVETSPLHGDEWREQMQLRFRRVSDALGFEQAVDVQELIYHDENRAVVADWLNR-HGWRATAQSAPDEMRRVGRW-GDGVPM-ADDKDAFAEFVTAH-R-------------------------------------------------------------------------------------------------------------L------ 
MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTTARPVPK---HIREA---LQNV---HEEV--A-LR--YYG-------------------------CG--LV--IP--E--HL--E--NC-WILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHMEKYGFQASNVTFIHGY--IEKL--GEAG-IKNESHDIVVSNCVINLVP--DKQQVLQEAYRVLKHGGELYFSDVYTSL-ELPEEIRTHKV-----------LWGECLGGA-LYWKELAVLAQKIGFCPPRLVTA--NLI-TIQNKELERV-IG----DCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC 
 
---------------A--VASAYQRFEPRAYLRNNYAPPRGDLCNPNGVGPWK----------------LRCLAQTFATGEVSGRTLIDIGSGPTVYQ--LLSACSHFEDITMTDFLEVNRQELGRWLQEEPGAFNWSMYSQHACLIEGKGECWQDKERQLRARVKRVLPIDVHQPQPLGAGSPAPLPAD-ALVSAFCLEAVSPDLASFQRALDHITTLLRPGGHLLLIGALEES-----------WYLAGEA-RLTVVPVSEEEVREALVRSGYKVRDLRTYI-M------PAHLQTGVDDV-KGVFFAWAQKV-------------------------------------------------------------------------------------------------------------GL----- 
MAALRDAEIQKDVQTYYGQVLKRSADLQ-TN-GCV-TT-ARPVPKH--IREALQNVHEEVALRYYGCGLVIPEH--LE----NC-WILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHM-E-K-Y----------------G--FQ--ASNVT-FIHGYI-E-KL-G-EAGIKNESHDIVVSNCVINLVP----DKQQVLQEAYRVLKHGGELYFSDVYTSLELPEEIRTHKVLWG----ECLGGALYW-KELAVLAQKIGFCPPRLVTANLITIQNKELERVI------GDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC 
 
-------------------SST-FSASDFN------------------------SERYSSSRPSYPSDFYKIDEYHDGERKLLVDVGCGPGTATLQ-AQELKPFEQIIGSDLS-ATIKTAEVIKEGSP----DTYKNVSFKISSSDDFKFLGADSVDKQKID-ITAVECAHWF-DFEKFQRSAYANLRKDGTIAIWGYA--DPIFPDYPEFDDLIEVPYGKQGLGPYWEQPGRSRLRNLKDSH--LDPELFHDIQVSYFCAEDVRDKVKLHQHTKKPLLIRKQVTLVEFADYVRTWSAYHQWKQDPKNKDKEDVADWFIKESLRRRPELSTNTKIE-VV-WNTFYK-LGKRV------------------------------------------------------------------------------------------------------------------- 
MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTTARPVPKHIREALQNVHEEVALRYYGCGLVIPE--HL-E-----NC-WILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEKYLDYHMEKYGFQASNVTFIHGYIEKLGEAG--IK-NESHDIVVSNCVINLVPDKQQVLQEAYRVLKHGGELYFSDVYTSLELP-----EEIRTHKVL----WG-ECLG--GAL--YWKELAVLAQKIGFC-PPRL------------------VTANLITIQN-----------------------------------------------KELERVIGDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC 
 
------------------LQEV-LH-MNGTSYAKNSSY-N-LFLIRV-----------------KPVLEQCIQELLRANLPNINKCFKVGDLGCASGPNTFSTVRDIVQSIDKVPTIQIFLNDLFQNDFNSVFKLLPSFYRNLEKENGRKIGSCLIGAMPGSFYSRLF----PEESMHFLHSCYCLHWLSQVPSGISVNKGCIYSSKASRPPIQKAYLDQFTKDFTTFLRIHSEELISRGRMLLTFICKEDEFDHPNS-MDLLEMSINDLVIEGHLEEEKLDSF--NVPIYAPSTEEVKRIVEEEGSFEILYLETFNAPYDAGFSISPVSCDEHARAAHVASVVRSIYEPILASHFGEAILPDLSHRIAKNAAKVLRSGKGFYDSVIISLAKK-------------------------------------------------------------------------------------------------------------P----- 
MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTTARPVPKHIREALQNVHEEVALRYYGCGLVIPEHL--EN-C-----------W-ILDLGSGS---GRDCYVLSQLVGE--KGH-VTGIDMTKGQVEVAEKYLDYHMEKY-GF--Q-AS-NVTFIHGYI--EKLGEAGIKNESHDIVVSNCVINLVP--------------------------------DK-QQVLQEAYRVLKHGGELYFSDVYTS---LELPEEIRTHKVLW-----------------GECLGGALYW-KELAVLAQKIG-FCPPRLVTANLI-TIQNKE-----LE--R---V-----------------------------------I----GDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSRFAQDFLIRPIGEKLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC 
 
MDYGMYFFEHVTPYETLVRRMERVIASG------------K---TP-FQ----DYFLFESKGFGKVL-----------ILDKDVQSTE-RDEYIYHETLVHPAMLTHPEPKRVLIVGGGEGATLREVLKH-PTVEKAVMVDIDGELVEVAKRHMPEWHQG---AFDDPRAVLVIDDARAYLE--RTEERYDVVIIDLTDPVGEDNPARLLYTVEFYRLVKAHLNPGGVMGMQTGMILL--------------------RVHPVVHRTVRE-AFRYVRSYKNH-I--------PGFFLNFGFLLAS-DA--------------FD----------------------------P--AAFSEGVIEARIRERNLALRHLTAPYLEAMFVLPKDLLEALEKETMVSTDQNPFYVTPEGEARQAPY------------------------------------------------- 
----------------------------MAALRDAEIQKDVQTYYGQVLKRSADLQTNGCVTTARP-VPKHIREALQNVHE-EVALRYYGCGLV-IP--EH--L----ENCWILDLGSGSGRDCYVLSQLVGEKGHVTGIDMTKGQVEVAEK-YL-DYHMEKYGFQASNVTFIHGYIEKLGEAGIKNESHDIVVSNCVINL-----VPD-KQ-QVLQEAYRVLKHGGELYFSDVYTSLELPEEIRTHKVLWGECLGGALYWKELAVLAQKIGFCPPRLVTANLITIQNKELERVIGDCRFVSATFRLFKHSKTGPTKRCQVIYNGGITGHEKELMFDANFTFKEGEIVEVDEETAAILKNSR-FA-QDFL-I-----RPIGE----------------------------------------KLPTSGGCSALELKDIITDPFKLAEESDSMKSRCVPDAAGGCCGTKKSC 
 
(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.
10.4095 3.60 0.20 0.480.55212pwyB 2.1.1.36
 
20.4511 3.67 0.16 0.540.54503eppB 2.1.1.56
 
30.4279 3.69 0.16 0.510.51271ic3A 2.1.1.56
 
40.4553 4.27 0.14 0.570.51202aztB 2.1.1.20
 
50.4621 4.24 0.13 0.570.50632idkD 2.1.1.20
 
(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
10.4205 4.05 0.23 0.511vlmB 0.40 GO:0008168 GO:0008152
20.4172 3.19 0.22 0.482yr0B 0.37 GO:0008168 GO:0008152
30.4066 3.01 0.22 0.462pwyB 0.35 GO:0004719 GO:0008171 GO:0008175 GO:0008276 GO:0016429 GO:0001510 GO:0006399 GO:0006464 GO:0009987 GO:0010467 GO:0030488 GO:0032259 GO:0034960 GO:0043414
40.4095 3.60 0.20 0.482pwyB 0.34 GO:0004719 GO:0008171 GO:0008175 GO:0008276 GO:0016429 GO:0001510 GO:0006399 GO:0006464 GO:0009987 GO:0010467 GO:0030488 GO:0032259 GO:0034960 GO:0043414
50.4194 3.71 0.20 0.502gs9B 0.34 GO:0008168 GO:0008152
60.3969 3.32 0.20 0.462gluB 0.33 GO:0008168 GO:0008152
70.4340 3.41 0.18 0.501ve3B 0.33 GO:0008168 GO:0008152
80.4289 4.09 0.17 0.522avnB 0.31 GO:0008168 GO:0008152
90.4538 3.74 0.15 0.553bgvB 0.30 GO:0003723 GO:0004482 GO:0008170 GO:0008173 GO:0006370 GO:0006397 GO:0009987 GO:0010467 GO:0016071 GO:0034960 GO:0043283 GO:0044237 GO:0005622 GO:0005623 GO:0005634 GO:0005654 GO:0031974 GO:0043229 GO:0044424 GO:0044428
100.4157 3.35 0.17 0.481wznC 0.30 GO:0008168 GO:0008152

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00081680.339  GO:00081520.339  GO:00056230.285
GO:00038240.339  GO:00063960.100  GO:00444640.285
GO:00167410.339  GO:00432830.100  GO:00444240.257
GO:00167400.339  GO:00349600.100  GO:00056220.257
GO:00087570.100  GO:00442380.100  GO:00432270.228
GO:00081730.100  GO:00442370.100  GO:00432290.228
GO:00164260.070  GO:00160700.100  GO:00432260.228
GO:00082760.070  GO:00061390.100  GO:00432310.228
GO:00047190.070  GO:00442600.100  GO:00056340.172
GO:00081710.070  GO:00104670.100  GO:00057370.112

(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:
ALA:25  ASP:26  CYS:32  VAL:33  ALA:36  ARG:37  ILE:43  
GLN:48  ASN:49  VAL:50  GLU:52  GLU:53  VAL:54  ILE:65  
VAL:186  LEU:192  PRO:193  GLU:194  GLU:195  LYS:200  VAL:201  
TRP:203  GLY:204  GLU:205  CYS:206  ILE:236  ILE:247  CYS:250  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11tw2B0.4467 3.33 0.15 0.51 0.18Download25,26,32,33,36,37,43,48,49,50,52,53,54,65,186,192,193,194,195,200,201,203,204,205,206,236,247,250
21ve3B0.4340 3.41 0.18 0.50 0.18Download20,21,24,27,37,48,49,50,51,52,53,54,58,78,80,102,103,134,136,155,157,160,161
31qzzA0.4420 3.55 0.15 0.51 0.18Download20,21,24,27,37,48,50,51,52,53,58,78,79,80,102,103,104,134,135,136,155,157,160
43busA0.4245 3.89 0.17 0.51 0.17Download20,21,24,27,37,49,50,51,52,53,54,58,78,79,80,81,82,83,102,103,104,134,136,155,157,160,161,162
53dlcA0.4374 3.46 0.15 0.50 0.17Download20,24,27,37,48,49,50,51,52,53,54,58,78,80,102,103,104,134,135,136,137,155,156,157,160,161,162
62b25A0.3986 2.98 0.18 0.45 0.17Download24,27,37,48,50,51,52,53,54,58,78,79,80,81,82,83,101,102,103,104,134,135,136,155,157,160,161,167
73bgvB0.4538 3.74 0.15 0.54 0.17Download24,27,37,48,49,50,51,52,53,54,58,77,78,79,80,102,136,155,157,160,161,162
81rjdC0.4675 4.45 0.12 0.59 0.15Download20,21,24,27,37,49,50,51,52,53,54,58,78,80,102,103,104,134,136,155,157,160,161
92gs9A0.4192 3.73 0.20 0.49 0.15Download20,24,27,37,48,49,50,51,52,53,58,78,79,80,102,134,136,155,156,157,160,161,162
102o06A0.4415 5.16 0.12 0.59 0.15Download48,50,51,52,58,77,78,79,80,81,101,102,155,157,160,161,167

(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).