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I-TASSER results for job id S34329

  Submitted Sequence

>LeLFY
MDPDAFSASLFKWDPRGAMPPPSRLLEPVAPPQPPPSLPPPPPPQPLPTSSYSIRSTREL
GGLEELFQAYGIRYYTAAKIAELGFTVNTLLDMKDEELDDMMNSLSQIFRWDLLVGERYG
IKAAIRAEWRRLEEEEARRRGHILSDGGTNVLDALSQEGLSEEPVQQQHEREAAGSGGGG
TWEVAAGGGGRMKQRRRKKAGRERRGEEDEETEELGEEDEENMNQGGGGGGISERQREHP
FIVTEPGEVARGKKNGLDYLFHLYEQCRDFLIQVQTIAKERGEKCPTKVTNQVFRYAKKA
GASYINKPKMRHYVHCYALHCLDEDASNALRRAFKERGENVGAWRQACYKPLVAIAARQG
WDIDAIFNAHPRLAIWYVPTKLRQLCHSERSNAAAAASSSVSGGVADHLPHF

  Predicted Secondary Structure

Sequence                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320                 340                 360                 380                 400
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |             
MDPDAFSASLFKWDPRGAMPPPSRLLEPVAPPQPPPSLPPPPPPQPLPTSSYSIRSTRELGGLEELFQAYGIRYYTAAKIAELGFTVNTLLDMKDEELDDMMNSLSQIFRWDLLVGERYGIKAAIRAEWRRLEEEEARRRGHILSDGGTNVLDALSQEGLSEEPVQQQHEREAAGSGGGGTWEVAAGGGGRMKQRRRKKAGRERRGEEDEETEELGEEDEENMNQGGGGGGISERQREHPFIVTEPGEVARGKKNGLDYLFHLYEQCRDFLIQVQTIAKERGEKCPTKVTNQVFRYAKKAGASYINKPKMRHYVHCYALHCLDEDASNALRRAFKERGENVGAWRQACYKPLVAIAARQGWDIDAIFNAHPRLAIWYVPTKLRQLCHSERSNAAAAASSSVSGGVADHLPHF
PredictionCCCCCCCHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHCCHHHHHHHCCCCHHHHHHHHHCCCHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHCCCCCCCCCCCCCHHHCCCCCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSCCHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHCCCCCCCCCCCCCSSSSSSSSSSCHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHCCCCCCSSSCCCCCSSSSSCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCC
Conf.Score9944352210461788778888666556688887777788777666542232345840115799886413842768999997062188864364888999999999776477531035325899999999986555533120258988753325550677656344751343266998974665541367656655677778888743345645567544556678887764332036880655622543466466128899999985999999999986366788523889999998726742277110202577753342687799999999872766358887877768999866188720121379713566406189999988751422100003568886657889

  Top 5 Models predicted by I-TASSER

Download Model 1 Download Model 2 Download Model 3 Download Model 4 Download Model 5
C-score=-0.31
 C-score= 0.11
 C-score=-1.68
 C-score=-3.27
 C-score=-3.42
 
Estimated accuracy of Model1: 0.67±0.13 (TM-score)    7.6±4.3Å (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
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |            
Sec.Str
Seq		CCCCCCCHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHCCHHHHHHHCCCCHHHHHHHHHCCCHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHCCCCCCCCCCCCCHHHCCCCCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSCCHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCHHHHHHHHHHHHCCCCCCCCCCCCCSSSSSSSSSSCHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHCCCCCCSSSCCCCCSSSSSCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCC
MDPDAFSASLFKWDPRGAMPPPSRLLEPVAPPQPPPSLPPPPPPQPLPTSSYSIRSTRELGGLEELFQAYGIRYYTAAKIAELGFTVNTLLDMKDEELDDMMNSLSQIFRWDLLVGERYGIKAAIRAEWRRLEEEEARRRGHILSDGGTNVLDALSQEGLSEEPVQQQHEREAAGSGGGGTWEVAAGGGGRMKQRRRKKAGRERRGEEDEETEELGEEDEENMNQGGGGGGISERQREHPFIVTEPGEVARGKKNGLDYLFHLYEQCRDFLIQVQTIAKERGEKCPTKVTNQVFRYAKKAGASYINKPKMRHYVHCYALHCLDEDASNALRRAFKERGENVGAWRQACYKPLVAIAARQGWDIDAIFNAHPRLAIWYVPTKLRQLCHSERSNAAAAASSSVSGGVADHLPHF
12vy1A 0.90 0.36 0.40 1.58Download --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------REHPFIVTEPGEVARGKKNGLDYLFHLYEQCREFLLQVQTIAKDRGEKCPTKVTNQVFRYAKKSGASYINKPKMRHYVHCYALHCLDEEASNALRRAFKERGENVGSWRQACYKPLVNIACRHGWDIDAVFNAHPRLSIWYVPTKLRQLCHLERNNAVAAAAA-------------
23ejnA 0.06 0.19 0.91 1.54Download QTHPKLLLTQICNAFKRGTDGYATKKVIQADGESADQYYKWTRGSFGYYDNL-----RNVQKGEEAERVNAPVYTALTKFFRAYYAQEDVFAGILQELREADEILANDGNSTQWRKLINSFRLIASEFKNIATNSPLNSLADNGQLVYLDQQGNRYPQFNAQWSGYYDDTFIQRRERRDPRLFIFS----AQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKVSISPINDRFRTDPIVEPTLGYAELVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLN----ENAVAQYLKEPLVDFTQAS---------------GTEEQIERIIQKYQGNWDSF--------YEQLRTGYPDFRRPAGTEIPK--RWYPQGEYDNNGTNVETAITRQFGAGNDKINQATKKS
32vy1A 0.91 0.36 0.3812.65Download --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------REHPFIVTEPGEVARGKKNGLDYLFHLYEQCREFLLQVQTIAKDRGEKCPTKVTNQVFRYAKKSGASYINKPKMRHYVHCYALHCLDEEASNALRRAFKERGENVGSWRQACYKPLVNIACRHGWDIDAVFNAHPRLSIWYVPTKLRQLCHLERNNAV------------------
43cghA 0.08 0.20 0.96 1.37Download SADGYALGSANNLAGCVVSPDVNTAQFTDCLLGGPLGGYFADSNAGFTETISNFNPKDDWSRVFLKSDKIIPTLYSNLTQVKLVSSQEVTYNTFFDELNAAIATLNENSNEQLVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQAEEAVNPANGGVIESNADNNYFETSQNPIYVATRYNQVQTSDHGGVPCLTTKSEWAGQDYVGRRGIVIPELKTTGHKYSGVNIAPTSPLYWNAAEVAFSGGTAESFYNQGIRLSFEQWGADGVEDYLKDDVNKPTAYTDPAGTNTYQNALSNITIKWND----------SADKEEKQERIIVQKQLGNEAWADFRRTGYPKLIPVKENKSGGVVDSEKGA-RRPYPLDEFVSNKANVEYAIAN----YLHGADNATDVW
52vy1A 0.90 0.36 0.40 1.96Download --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------REHPFIVTEPGEVARGKKNGLDYLFHLYEQCREFLLQVQTIAKDRGEKCPTKVTNQVFRYAKKSGASYINKPKMRHYVHCYALHCLDEEASNALRRAFKERGENVGSWRQACYKPLVNIACRHGWDIDAVFNAHPRLSIWYVPTKLRQLCHLERNNAVAAAAA-------------
62vy1A 0.91 0.36 0.39 2.45Download --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------REHPFIVTEPGEVARGKKNGLDYLFHLYEQCREFLLQVQTIAKDRGEKCPTKVTNQVFRYAKKSGASYINKPKMRHYVHCYALHCLDEEASNALRRAFKERGENVGSWRQACYKPLVNIACRHGWDIDAVFNAHPRLSIWYVPTKLRQLCHLERNNAVAAAA--------------
72vy1A 0.90 0.36 0.40 3.10Download --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------REHPFIVTEPGEVARGKKNGLDYLFHLYEQCREFLLQVQTIAKDRGEKCPTKVTNQVFRYAKKSGASYINKPKMRHYVHCYALHCLDEEASNALRRAFKERGENVGSWRQACYKPLVNIACRHGWDIDAVFNAHPRLSIWYVPTKLRQLCHLERNNAVAAAAA-------------
82vy1A 0.91 0.36 0.3811.02Download --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------REHPFIVTEPGEVARGKKNGLDYLFHLYEQCREFLLQVQTIAKDRGEKCPTKVTNQVFRYAKKSGASYINKPKMRHYVHCYALHCLDEEASNALRRAFKERGENVGSWRQACYKPLVNIACRHGWDIDAVFNAHPRLSIWYVPTKLRQLCHLERNNAV------------------
92vy1A 0.91 0.36 0.3910.37Download --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------REHPFIVTEPGEVARGKKNGLDYLFHLYEQCREFLLQVQTIAKDRGEKCPTKVTNQVFRYAKKSGASYINKPKMRHYVHCYALHCLDEEASNALRRAFKERGENVGSWRQACYKPLVNIACRHGWDIDAVFNAHPRLSIWYVPTKLRQLCHLERNNAVAAAA--------------
102vy1A 0.91 0.36 0.3811.05Download --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------REHPFIVTEPGEVARGKKNGLDYLFHLYEQCREFLLQVQTIAKDRGEKCPTKVTNQVFRYAKKSGASYINKPKMRHYVHCYALHCLDEEASNALRRAFKERGENVGSWRQACYKPLVNIACRHGWDIDAVFNAHPRLSIWYVPTKLRQLCHLERNNAV------------------
(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: PROSPECT2   3: HHSEARCH   4: PROSPECT2   5: SP3   6: PROSPECT2   7: PPA-I   8: HHSEARCH I   9: FUGUE   10: HHSEARCH II   

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

RankTM-scoreRMSDaIDENaCov.PDB
Hit
10.8735 1.93 0.05 0.923ejnA
Model1
 
20.7543 3.53 0.09 0.883cghA
Model1
 
30.7434 3.84 0.08 0.903fdhA
Model1
 
40.6330 4.45 0.07 0.803ck7A
Model1
 
50.4063 5.69 0.06 0.582quqA
Model1
 
60.4002 6.83 0.05 0.661llwA
Model1
 
70.3928 6.16 0.03 0.603ctzA
Model1
 
80.3927 7.24 0.07 0.681ti2A
Model1
 
90.3921 4.96 0.08 0.511hz4A
Model1
 
100.3919 6.51 0.03 0.622iw3A
Model1
 
Structural alignment using TM-align
 
QTHPKLLLTQICNAFKRGTDGYATKKVIQADGESADQYYKWTRGSFGYYD-NLR-N--VQK-GEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQALKYTPEYDAQEDVFAGILQELREADEILANDASVIDGDIIYNGNSTQWRKLINSFRLKVLTLSNHTTVGNINIASEFKNIATNSPLNSLADNGQLVYLDQQGNRYPQFNAQWSGYYDDTFIQRRERRDPRLFIFS--A--QTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKVSISPINDRFRTDPIVEPTLGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLN----ENAVAQYLKEPLVDFTQA---------------SGTEEQIERIIQKYLVTFYQGNWDS---FYEQLRTGYPDFRRPAGTEIPKR-W-YPQGEYDNNGTNVETAITRQFGAGNDKINQATWWQKKS 
MDPDAFSASLFKWDPRGAMPPPSRLLEPVAPPQPPPSLPPPPPPQPLPTSSYSIRSTRELGGLEELFQAYGIRYYTAAKIAELGFT---V--------------------N-TLLDMKDEELDDMMNSLSQIF-----------RWDLLVGERYGIKAAIR---------------AEWRRLEEEEARRRGHILSDGGTNVLDALSQEGLSEEPVQQQHEREAAGSGGGGTWEVAAGGGGRMKQRRRKKAGRERRGEEDEETEELGEEDEENMNQGGGGGGISERQREHPFIVTEPG-E--VA--R--GKKNGLDYLFHLYEQCRDFLIQVQTIAKERGEKCPTKVTNQVFRYAKKAGASYINKPKMRHYVHCYALHCLDEDASNALRRAFKERGENVGAWRQACYKPLVAIAARQGWDIDAIFNAHPRLAIWYVPTKLRQLCHSERSNAAAAASSSVSGGVADHLPHF--- 
 
PYEAPDLSADGYALGSANNLAGCVVSPDVNTAQFTDCLLGGPLGGYFADSNAGFTETISNFNPKDDWSRVFLKSDKIIPTLYSNLTQVKLVSQNTNDPVPYAIAQVIKVAAHRVTDAFGPIPYSQIGANGEIATPYDSQEVTYNTFFDELNAAIATLNENSNEQLVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQAEEAVNPANGGVIESNADNATWNYFET-S-QNPIYVATRYNQVQTSDHGGVPCLTGGDTHAAADIICYNGYKDNRREKFFT-K--SEWAG----------QDYVG-RRGIVIPELKTT-GHKYSGVNI--APTSPLYWNAAEVAFLRAEGQAVFNFSGGTAESFYNQGIRLSFEQWG---------AD------GVEDYLKDDVN------KPTA-YTDPAGTNTYQNALSNITIKWN-DSADKEEKQERIIVQKWIANWQL-GNEA---WADFRRTGYPKLIPVKENKSGGVVDSEKGARRP-YPLDEFVSNKANVEYAIANYLHG-ADN-ATDVWWASKK 
-------M-DP-DAFSASLFKWDPRG-----A---MPP---PSRLL-EPVAP-PQPPPSLPPP-P--PPQPLPTSSYSIRSTRELGGLEE-LFQAYGIRYYTAAKIAELGFT--V-----------------------N-TLLDMKDEELDDMMNSLSQIFR--------------WDLLVGERYGIKAAIR-----------AE-WRRLEE-E-EARRR-GHILSDGGTNVLDALSQEGL--SE-E--------------PVQQQHER-EAAGSGGGGTWEVAAGGGGRMKQRRRKKAGRERRGEEDEETEELGEEDEENMNQGGGGGGISERQREHPFIVTEPG-E--VA-RG---K-KNGLDYLFHLYEQCRDFLIQVQTIAKERGEKCPTKVTNQVFRYAKKAGASYINKPKMRH-YV-----------HCYALH----CLDEDASNALRRAFKER-GENVGAWRQACYKPLVAIAARQGWDI-DAI-F---N-AH--PRLAIWYVPTKLRQLCHSERSNAAAAASSSVSGGVADHLPHF--- 
 
SVASRFILADVITSTAFSNASGDINTYASSYIEYEVGVDNQLYYAEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQCGEGGRDHGNDVTRGAEVAAYNCALIADFFGDAPCSQAATPKDTQQEIYTQIISYLDDAIANLQKEDLADVTEQDFLYAGDADKWLKFAYGLKARYTRLINRSSNKSADYEKVLDYVSKSFTSADDQAAFDIYDSN-NINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAF--FTPI-VDK-KR--SQVAANDPSLVPAPNGS-PDQS--T-SKYGISAFVY-AKTAPTLLSYHELFLKAEALCRLNRDAEDALKEAVVAGLLNAENSISIAIKELGSGLNTNSSEVIT-E-TSAGKYFDDV--VK-AKYA---------------A--NPLQETIQKYLAWGASGEATETYNDFRRKGLNENFITLTNPNNSSKFPLRYPYGNSDTAANPEVKA-AY-----GNGDYVYSEPVWWAGGSR 
MDPDAFSASLFKW-DPR---GAM--PP--PSRLLEPVAPP-QPPPSLPP--PPPP--QPLPTSSYSIRSTRELGGLEELF--Q-A-YGIRYYTAAK-IAELGFTV-----------------N-TLLDMKDEELDDMMNSLSQIF-------------RWDLLVGERYGIKAAIR-----------AEWRRLEE-EEARRR-GHILSDGGTNVLDALSQ-EG-LSEEPVQQQHE--REAAGSGGGGTWEVAAGGGGRMKQR-RRKKAGRERRGEE-DEETEELGEEDEENMNQGGGGGGISERQREHPFIVTEPG-E-VA-RGK-KNGLDYLFHLYEQCRDFLIQVQTIAK--E--------R-GEKCPTKVTNQVFRYAKKAGASYINKPKMRHYVHCYALHCLDEDASNALRRAFKERGENV-GAWRQACYKPLVAIAA-RQGWDIDAIFNAHPRLAIWYVPTKLRQLCHSERSNAAAAASSSVSGGVADHLPH-----F 
 
FDQ-QGVFVKGYAMLGVTDEGESGFYRTTFNCNELPTDECLWAWQKNQDIPQLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQTEGMTDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVEKKGTELYTYIQNELNEIEADMYEP-RQAPFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVIGSAYKLCTNYSELFMADNDENENAMQEIILPIRQDGVKTRNYGGSTYLVCGTRVAGMPRMGTTNGWSCIFARAAMVQKFFSNLED--VPMLPADVEIPTKG-----LDT-DE-QIDAFDAEHGIRTEDMIKAAGDDRALLYSGVGGGRRKIQT-DAISGFTDG---LSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGDATGDINELRK--------------------R----AN-C-TR---KVQ-T----------------VTEQELIDEWAR-EFYLEGRR--R--S--DLVRFGMFTTNKYLWDWKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQ--N---E---GYK-------- 
MDPDAFSASLFKWDP---------RGAM--P--PPSRL-LEPVAPP---QPPPSLPPPPP-P--QPLPTSSYSIRSTRELGGLEELFQAY---GIRYYTAAKIAELGFT---V---------------------N-TLLDMKDEELDDMMNSLSQ-IFRWD---LLVGERYGIKAAIR----------A-EWRRLEEEEAR-R-R---------------------G-HILSDGGTNVLDAL---SQE--G------------LSEEPVQQQHER-EAAGSGGG--GTWE------------VAAGGGG-RM-KQRRRKK-AGR-E-RRG--E--------ED------EETEELGEEDEENMNQGGGGGG-ISE----------RQREHPFIVT-EPGEV---A-RGK-KNGLDYLFHLYEQCRDFLIQVQTIAKERGEKCPTKVTNQVFRYAKKAGASYINKPKMRHYVHCYALHCLDEDASNALRRAFKERGENVGAWRQACYKPLVAIAARQG-----WDID-A--I--FNAHPR-LAIWYVPTKLRQLCHSERSNAAAAASSSVSGGVADHLPHF 
 
SKEYLPDLLLFWQNYEYWITNIGLYKTKQRDLTRTPANLDTDTEECMFWMNYLQKDQSFQLMNFAMENLGALYFGSIGDISELYLRVEQYWDRRADKNHSVDGKYWDALIWSVFTMCIYYMPVEKLAEIFSVYPLHEYLGSNKRLNW---------------------EDGMQLVMC-QNFARCSLFQLKQCDFMAHPDIRLVQAYLILATTTFPYD-EPLLANSLLTQCIHTFKNFHVDDFRPLLNDDPVESIAKVTLGRIFYRLCGCDYLQSGPRKP-IALHTEVSSLLQ-STEV--------------------------------------------------------------------------------------------------LYWKIISLDRDLDQYLNKSSKPPLKTLDAIRRELDIFQYKVDSLEEDFRSNNSRFQKFIALFQ----------------ISTV----SWKL-FKM--------YLIYYDTADSLLKVIHYSKVIISLIVNNFHAKSEFFNRHPMVMQTITRVVSFISFYQIFVESAAVKQLLVDL-TELTANLPTIFGSKLDKLVYLTERLSKLKLLWDKVQLLDSGDSFYHPVFKILQNDIKIIEL----------------KNDEMFSLIKGLGSLVPSDFRTIV--EEF--QS-E-YNISDILS 
--------------------------------------------------------------------------------------------------M---DPDAFSASLFKWDPR-GAMPP------------------------PSRLLEPVAPPQPPPSLPPPPPPQPLPTSSYSIRSTRELGGLEELFQ-AYGIRYYTAAKIAEL--GFTVNTLLDMKDEELDDMMNSLSQI-F----------------R--WDLLVGERYGIKAAIRAE---WRRLEEEEARR--RGHILSDGGTNVLDALSQEGLSEEPVQQQHEREAAGSGGGGTWEVAAGGGGRMKQRRRKKAGRERRGEEDEETEELGEEDEENMNQGGGGGGISERQREHPFIVTEPGE--V--ARGK--K---NG-LDYLFHLYEQCRDFLIQVQTIAKE---------------RGEKCPTKVTNQVFRYAK--KAGASYINKPKMRHYVHCYALHCLDEDA-SNALRRAFKERGE-NV---------GAWRQA-CYKPLVAIAARQG----------W--DIDAIFNAHPRLA---IWYVP----------------------------------------------TKLRQLCHSERSNAAAA-----------------------ASS--SVS-GGVADH-LPHF 
 
DAQTVLQQQAAFGYTAEDVEMVVVPMASQGKEPTFCMGDDTP----------------------LAVLSHKPRLLY-DYFKQRFAQVTNPPIDPLRENLVMSLAMFLGKRGNLLEPKAEKLRSPLVNEVELQAIKTGQLQVAEVS------TLYDLDGVNSLEDALTNLVKTAIATVQAGAEILVL-TDRPNGAILTENQSFIPPLLAVGAVHHHLIRAGLRLKASLIVDTAQCWSTHH-F----------ACLVGYGASAICPYLALESVRQWWLDEKTQKLMENGRLDRIDLPTALKNYRQSVEAGLFKILSK--M-G--ISLLASYHGAQIFEAIGLGAELVEYAFAGTTSRVGGLTIADVAGEVMVFHGMAFPEMAKKLENFG-------FVNYRPG----GEY--HMNSPEMSKSLHKAVAAYYDHYELYRQYLKDRPVTALRDLLDFNADQPAISLEEVESVESI-VKRFCTG-GMSLGALSREAHETLAIAMNRLGAKSNSGEGGEDVVRYLTLDDVDSEGNSPTLPHLHGLQNGDTANSAIKQIASGRFGVTPEYLMSGKQLEIKMAQ-------------------------------GAK-PGE----------------G---GQLP-GKKVSEYIAMLRRSKPGVTLI-SPPP--HHDIYSIEDL--AQLIYDLHQINPEAQVSVKLVAEIGIGT---IAAGVAKANADIIQ-IS-GHDGGTGASPLSSIKHAGSPWELGVTEVHRVLMENQLRDRVLLRADGGLKTGWDVVMAALMGAEEYGFGSIAMIAEGCIMARVCHTNNCPVGVATQQERLRQRFKGVPGQVVNFFYFIAEEVRSLLAHLGYRSLDDIIGRTDL-LK-VRSDVQLS-KT--QN--LT--LD-----CLLNLPDTKQNRQWLNHEP--- 
---M-DPDAF---SASLFK-WD------------P-RGAMPPPSRLLEPVAPPQPPPSLPPPPPPQPLPTSSYSI-RS-------------------------------------------------------------------TRELGGLE---------------------------------ELFQ---AY---------------------------------GIRYYTAAKIAELGFTVNTLLDMKDEELDDMMNSLSQ--I------------------------------F-RWDLLVGERYGIKAAIRAEWRRLEEEEAR----------------------------------------------------------RRGHILSDGG----TNVLD--ALS-QEGL-SE-EP-VQQ---------------------------------------------QHEREAAGSGGGGTWEVAAGGGGRMKQ--R----------------------R---RKKAGR-ER--R---GEEDEE----------------------------TEELGEEDEENMNQGGGGGGISERQREHPFIVTEPGEVARGKKNGLDYLFHLYEQCRDFLIQVQTIAKERGE-KC-PT--KVTNQVF--RYAKK-------AGASYINKPK-------MRHYVH-------CYALHCLDEDASNALRRAFKERGENVG--A---WRQ-ACYKPLVAIAARQ-------------GW------------------DIDA-------------------------------------------------------------------I-FNAHPR--LA-IWYVPTKLRQLCHSERSNAAAAASSSVSGGVADHL-------------PHF 
 
PKVTSELLRQLRQAMRNSEYVTEPIQAYIIPSGDAHQSEYIAPCDCRRAFVSG------------------------FDGSAGTAIITEEHAAMWTDGRYFLQAAKQMDSN-------WT--LM--KM------G-LKDTPTQEDWLVSVLPEGSRVGVDPLIIPTDYWKKM--AKVLRSAGHHLIPVKENLVDKIWTDRPERPC-KPLLTLGLDYTGISWKDKVADLRLKMAERNVMWFVVTALDEIAWLFNLRGSDVEHNPVFFSYAIIGLETIMLFIDGDRIDAPSVKEHLLLDLGLE--AEYRIQ--------------------VHPY-----KS-------------------------------ILS------E-LKA------LCADLSPRE-K--------VW---------------------VSDKASYAVSETIPKDHRC---------CM--PYTPICIAKAVKNSAESEGMRRAHIKDAVALCELFNWLEKEVPKGGVTEISAADKAEEFRRQQADFVDLS-------FPTISSTGPTGAIIHYAPVPETNRTLSLDEVYLIDSGAQYKDGTTDVTRTMHFETPTAYEKECFTY-VLKGHIAVSAAVFPTGTKGHLL-DSFARSALWDSGLDYLHGTGHGVGSFLNVHEGPCGISYKTFSDEPLEAGMIVTDEPGYYEDGAFGIRIENVVLVVPVKTKYNFNNRGSLTLEPLTLVPIQTKMIDVDSLTDKECDWLNNYHLTCRDVIGKELQKQGRQEALEWLIRETQPI 
M-DPDAFSASL-----------------FKWDPRGAMPPP-------------SRLLEPVAPPQPPPSLPPPPPPQPLPTSSY------------S--IRSTRELGGLEELFQAYGIRYYTAAKIAELGFTVNTLLDMKDEELDDMMNSLSQIFRWDLLVG-ERYGIKAAIRAEWRRLEEEEARRRGHILSDGGTNVLDALSQEGLSEEPVQQ-------QH-EREAAG--S-----GGG----------------------------GTW----EVAAGG---GG---RMKQRRRKKAGRERRGEEDEETEELGEEDEENMNQGGGGGGISERQREHPFIVTEPGEVARGKKNGLDYLFHLYEQCRDFLIQVQTIAKERGEKCPTKVTNQVFRYAKKAGASYINKPKMRHYVHCYALHCLDEDASNALRRAFKERGENVGAW---------RQACYKPLVAIAARQGW--DID-AIFN--A-----------------------------------------------------HPRLAIWYVPTKLRQLCHSER------------------------------------------------SN--AA--A------------------AAS--S--S-----VS--GGV--------------ADHLPHF-------------------------------------------------------------------------------------------------------------- 
 
MGEVVRLTNSSTGGPVFVYVKDGKIIRMTPMDFDDAVDAPSWKIE--ARGKTFTPPRKTS----IAPYTAGFKSMIYSDLRIPYPMKRKSFDPNGERNPQLRGAGLSKQDPWSDYERISWDEATDIVVAEINRIKHAYGPSAILST----PSSHHMWGNVGYRHSTYFRFMNMMGFTY---ADHNPDSWEGWHWGGMHMWGFSWRLGNPEQYDLLEDGLKHAEMIVFWSS------DPETNSGIYAGFESNIRRQWLKDL----G--VDF-VFIDPHMNHTARLVADK-WFSPKIGTDHALSFAIAYTWLKEDSYDKEYVAANAHGFEEWADYVLGKTDGTPKTCEWAEEESGVPACEIRALARQWAKK--N--TYLAAGGLGGWGGACRASHGIEWARGMIALATMQGMGKPGSNMWSTTQGVP----LDYEFYFPGYAEGGISGDCENS------AAGF-KFAWRM-FDGKTTF--------PSPSNLNTSAGQHIPRLKIPECIMGGKFQWSGKGFAGGDISHQLHQYEYPAPGYSKIKMFWKYGGPHLGTMTATNRYAKMYTHDSLEFVVSQSIWFEGEVPFADIILPACTNFERWDISEFANCSGYIPDNYQLCNHRVISLQAKCIEPVGESMSDYEIYRLFAKKLNIEEMFSEGKDELAWCEQYFNATDMPKYMTWDEFFKKGYFVVPDNPNRKKTVALRW------------------FAE---GR--EK-DTPD--WG-PRLNNQVCRKGLQTTTGKVEFIA---TSLKNFE------------EQGYIDEHRPSMHTYVPAWESQKHSPLAVKYPLGML---------------------------------------SPHPRFSMHTMGDGKNSYMNYIKDHRVEVDGYKYWIMRVNSIDAEARGIKNGDLIRAYNDRGSVILAAQVTECLQPGTVHSYESCAVYDPLGTAGKSADRGGCINILTPDRYISKYACGMANNTALVEIEKWDGDKYEIY 
---------------------------------------------MDPDAFSASLF----KWDPR---------------------------------------------------------------------------------GAMPPPSRL------LEPVAPPQ---------PPPSLP----------------------------------------------PPPPPQPLPTSSY---SIRSTRELGGLEELFQAYGIRYYTAAKIA--ELGFTV-----NTLLDM---K--D----------------------------------------------------E---ELDDMMNSLSQIFRWDLLVGERY--GI-K-AA----I-RAEWRRLEEEEARRRGH---ILS---DGGTNVLDALSQEGLSEE-PVQQQHEREAAGSGGGGTWEVAAGGGGRMKQRRRKKAGRERRGEEDEET-E-----E-----------------------------------------------LGE--------------------------------------------------------------------------------------------E---DE--------E-NMNQG-----G--GGGGISER-Q--------------R-EH--P-FIVTEP-GEVARGKKNGLDYLFHLYE--QCRD-FLIQVQTIAKERGEKCPTKVTNQVFRYAKK-------AGASYINKPKMRHYVHCYALHCLDEDASNALRRA------------------------FKERGENVGAWRQACYKPLVAIAARQGWDIDAIFNAHPRLAIWYVP---------TKLRQ-LC-HS------ERSNA----------------AAAA----SSS----------------------------------VSGGVADHL-------------PH-F--------------- 
 
EIKDIREDTMHAEFNALRAQVAINDGNPDEAERLAKLALEELPPGWFYSRIVATSVLGEVLHCKGELTRSLALMQQTEQMARQHDVWHYALWSLIQQSEILFAQGFLQTAWETQEKAFQLINEQHLEQLPMHEFLVRIRAQLLWAW------------------------A-RLDEAEA--S--ARSGIEVLS-SYQPQQQLQCLAMLIQCSLARGDLDNARSQLNRLENLLGNGKYHSDWISNANKVRVIYWQMTGDKAAAANWLRHTAKPEFANN---H---------------------------------------------------------------------------------------------FLQGQWRNIARAQI-LLG-EFEPAEIVLEELNENARSLRLMSDLNR---------------------------------NLLLL--NQL--YWQ---AGRKSDAQRVLLDALKLANRTGFISHFVIEGEAMAQQLRQLIQLNTLP-ELEQHRAQRIL----------------------------R---EIN- 
------------------------------------------------------------------------------------------------------------------------------MDPDAFSASLFKWDPRGAMPPPSRLLEPVAPPQPPPSLPPPPPPQPLPTSSYSIRSTRELGGLEELFQAYGIRYYTAAKIAELGFT-VNTLLDMKDEELDDMMNSLSQIFRWDLLVGERYGIKAAIR---AEWRRLEEEE-ARRRGHI---LSDGGTNVLDALSQEGLSEEPVQQQHEREAAGSGGGGTWEVAAGGGGRMKQRRRKKAGRERRGEEDEETEELGEEDEENMNQGGGGGGISERQREHPFIVTEPG--EVARGKKNGLDYLFHLYEQCRDFLIQVQTIA------KERGEKCPTKVTNQVFRYAKKAGASYINKPKMRHYV--HCY--ALHCLDEDASNALRRAFKERGE--NV--GAWRQACYKPLVAIAARQGWDI-DAIF-NA--HP-RLAIWYVPTKLRQLCHSERSNAAAAASSSVSGGVADHLPHF 
 
SDSQQSIKVLEELFQKLSVATADNRHEIASEVASF---------------------------------LNGN-IIEHDVPEH--FFG-ELA-KGIKDKKTAANAQAVAHIANQSN-LSPSV--EP-YIVQLVPAICTNAGNKDKEIQSVASETLISIVNAVNPVAIKALLPHLTNAIVETNKWQEKIAILAAFSAV-------------------------------------------------------------------------------------------------DAAKDQVALRPELIPVLSETWDTKKEVKAAATAATKATETVDNKDI-------------ER-FIPSLIQCIADPTEVPETVHL---LGATTFVAEVTPATLSIVPLLSRGLNERETGIKRKSAVIIDNCKLV------EDPQVIAPFLGKLLPGLKSNFATIADPEAREVTLRALKTLRRVGNVGEDDAIPELSHA--GDVSTTLQVVNELLKDETVAPRFKIVVE------------YIAAIGADLI-D-ERII-D---QQAWFTHITPYT--I--FLHE-KK--A------KDILDEFRKRAVDNIPVGPNFDDEEDEGEDLCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLRAIANGQVDGFPTQEECRTVYVEHDIDGTHSDTSVLDFVFESGVGTKEAIKDKLIEFGFTDEIAPISALSGGWKKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAAKAYEELSNTDLEFKFPEPGYLEGVKTKQKAIVKVTNEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGEDRETDRANRQINENDAEANKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGKSERWVPSVDNAWIPRGELVESHSKVAEVDKEALASGQFRPLTRKEIEEHCSLGLDPEIVSHSRIRGLSGGQKVKLVLAAGTWQRPHLIVLDEPTNYLDRDSLGALSKALKEFEGGVIIITHSAEFTKNLTEEVWAVKDGRTP-- 
------------M--D-------PDAFSASLFKWDPRGAMPPPSRLLEPVAPPQPPPSLPPPPPPQPLPTSSYSIR--ST--RELG-GLE-ELF--QAYGIRYYTAAKIAE----LGFTV-NTLLDMKDEELDDMMNSLSQ-IF--RW-DLLVGERYG-------I-KAAIRAEWRRLEE----EE-ARRRGHILSDGGTNVLDALSQEGLSEEPVQQQHEREAAGSGGGGTWEVAAGGGGRMKQRRRKKAGRERRGEEDEETEELGEEDEENMNQGGGGGGISERQREHPFIVTEP-GEVARGKKNGLDYL-----------FH-LYEQCRDFL----IQVQTIAKERGEKCPTKVTN-----------------QVFR-YAKKAGAS---YI--N---------------------K--PKMRHYVHCYALHCLDEDAS--------------------------------NA----------LR--RAF---------------------------KERGENVGAWRQACYKPLVAIAARQGWDIDAIFNAHPRL-AIWYVPTKLRQLCHSERSNAAAAASSSVSGGVAD--HLP-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HF 
 
(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.
10.3806 7.08 0.06 0.630.42332e1qA 1.17.1.4
 
20.3724 6.78 0.06 0.610.41771ofeB 1.4.7.1
 
30.3628 6.92 0.07 0.590.41392bpoA 1.6.2.4
 
40.3873 7.07 0.05 0.650.40841kqfA 1.2.1.2
 
50.3600 7.01 0.06 0.590.40792abvA 1.13.11.34
 
(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
10.3921 4.96 0.08 0.511hz4A 0.45 GO:0000156 GO:0003700 GO:0004871 GO:0005524 GO:0030554 GO:0043565 GO:0005975 GO:0006139 GO:0007154 GO:0009058 GO:0009889 GO:0044237 GO:0044260 GO:0048518 GO:0050794 GO:0065007 GO:0005622 GO:0005623
20.4011 5.91 0.06 0.582veqA 0.44 GO:0003700 GO:0005515 GO:0008270 GO:0008301 GO:0019237 GO:0043169 GO:0000278 GO:0006139 GO:0009058 GO:0009889 GO:0010926 GO:0022607 GO:0043283 GO:0043933 GO:0044085 GO:0044249 GO:0044260 GO:0051726 GO:0060255 GO:0065007 GO:0000777 GO:0000778 GO:0000779 GO:0000793 GO:0000794 GO:0005622 GO:0005623 GO:0005634 GO:0031518 GO:0043229 GO:0043234 GO:0044424
30.3760 6.09 0.07 0.562vsnB 0.42 GO:0005488
40.3518 6.27 0.09 0.532zblF 0.42 GO:0004476 GO:0006013 GO:0006066 GO:0009987
50.3724 6.78 0.06 0.611ofeB 0.42 GO:0005506 GO:0005515 GO:0015930 GO:0016041 GO:0043169 GO:0051538 GO:0006536 GO:0006537 GO:0006541 GO:0008652 GO:0009058 GO:0009308 GO:0009309 GO:0009987 GO:0019752 GO:0044249 GO:0055114
60.3853 6.80 0.05 0.621t3tA 0.42 GO:0004642 GO:0005524 GO:0030554 GO:0006189 GO:0006541 GO:0009123 GO:0009124 GO:0009126 GO:0009127 GO:0009150 GO:0009152 GO:0009308 GO:0009987 GO:0019752 GO:0046040 GO:0005622 GO:0005623 GO:0005737
70.3540 7.26 0.07 0.611t3qE 0.41 GO:0009055 GO:0016491
80.3622 6.89 0.07 0.592bpoB 0.41 GO:0003958 GO:0005506 GO:0005515 GO:0009055 GO:0010181 GO:0043169 GO:0050662 GO:0006066 GO:0006696 GO:0008204 GO:0009058 GO:0009987 GO:0044249 GO:0055114 GO:0005622 GO:0005623 GO:0005737 GO:0005739 GO:0005740 GO:0005741 GO:0005783 GO:0005789 GO:0005792 GO:0012505 GO:0016021 GO:0019867 GO:0031966 GO:0031975 GO:0042175 GO:0043229 GO:0044429 GO:0044432 GO:0044444
90.3384 7.21 0.08 0.581zcsA 0.41 GO:0005506 GO:0009055 GO:0030151 GO:0033727 GO:0043169 GO:0051537 GO:0055114
100.3645 6.76 0.06 0.591zxiE 0.41 GO:0005507 GO:0009055 GO:0018492 GO:0030151 GO:0043169 GO:0055114

Consensus Prediction of Gene Ontology terms 
Molecular Function  Biological Process Cellular Location
GO termGO-Score  GO termGO-Score GO termGO-Score
GO:00054880.338  GO:00081520.419  GO:00056230.412
GO:00038240.290  GO:00442370.337  GO:00444640.412
GO:00431690.209  GO:00099870.337  GO:00056220.372
GO:00431670.209  GO:00442380.337  GO:00444240.327
GO:00469140.209  GO:00442600.214  GO:00057370.283
GO:00468720.209  GO:00090580.172  GO:00432270.166
GO:00164910.206  GO:00061390.171  GO:00432310.166
GO:00090550.165  GO:00431700.170  GO:00432290.166
GO:00001660.128  GO:00551140.165  GO:00432260.166
GO:00055150.127  GO:00098890.133  GO:00444220.125

(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:22  SER:23  ARG:24  GLU:27  PRO:28  VAL:29  ALA:30  
GLN:33  PRO:34  PRO:35  PRO:36  SER:37  LEU:38  PRO:39  
PRO:40  PRO:41  VAL:165  GLU:214  GLU:217  GLU:218  GLU:220  
TRP:344  CYS:348  TYR:349  PRO:351  LEU:352  VAL:353  ALA:354  
ILE:355  ALA:356  ILE:363  PRO:371  ARG:372  LEU:373  ALA:374  
ILE:375  VAL:405  LEU:409  PRO:410  
Identified analogs with similar binding site:

RankPDB
Hit		TM-scoreRMSDaIDENaCov.BS-scoreDownload
Complex		Binding site residues on the predicted model
11ti2A0.3927 7.24 0.07 0.68 0.91Download22,23,24,27,28,29,30,33,34,35,36,37,38,39,40,41,165,214,217,218,220,344,348,349,351,352,353,354,355,356,363,371,372,373,374,375,405,409,410
22jfgA0.3219 6.94 0.09 0.54 0.89Download80,83,84,85,91,94,121,125,243,244,245,247,248,334,337,338,339,340,341,342,343,344,345,346,347,350,351
32jfgA0.3219 6.94 0.09 0.54 0.26Download267,297,298,300,302,303,304,305,309,310,311,312,313,314,331,332,333,334,335,336,337,338,339,361
41j1wA0.3399 6.91 0.06 0.56 0.13Download19,48,84,85,86,124,248,251,334,337,339,344,345,346,347,348,349,350,351,352,353,354,355,356,357,375
51llwA0.4007 6.93 0.04 0.67 0.09Download24,26,181,185,270,315,335,336,337,338,339,340,341,342,343,344,345,346,348
61kqfA0.3873 7.07 0.05 0.65 0.07Download45,46,47,48,49,50,51,52,53,81,82,83,84,85,86,87,90,91,94,377
72e1qA0.3806 7.08 0.06 0.63 0.03Download63,72,73,74,75,76,77,78,79,80,97,98,99,100,101,102,104,105,106,108,109,110,111,112,114,115,116,117,118,119
81t3qB0.3555 7.24 0.07 0.61 0.00Download19,20,21,22,23,24,25,26,27,168,169,181,182,185,270,312,313,314,315,335,341,344,345,348,355,363
91llwA0.4007 6.93 0.04 0.67 0.00Download181,243,270,271,272,273,274,275,285,340

(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).