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10 proteins in PDB which are structurally closest to the first I-TASSER model (identified by TM-align)
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| Rank | TM-score | RMSDa | IDENa | Cov. | PDB
Hit |
|---|
| 1 | 0.8634 | 1.59 | 0.25 | 0.89 | 1vrtA
Model1 |
| |
| 2 | 0.7248 | 3.28 | 0.23 | 0.81 | 1mu2A
Model1 |
| |
| 3 | 0.5377 | 4.36 | 0.20 | 0.65 | 1rw3A
Model1 |
| |
| 4 | 0.4068 | 6.54 | 0.07 | 0.58 | 1mukA
Model1 |
| |
| 5 | 0.3827 | 7.83 | 0.05 | 0.64 | 3cmtA
Model1 |
| |
| 6 | 0.3771 | 5.48 | 0.09 | 0.49 | 3du5A
Model1 |
| |
| 7 | 0.3765 | 7.34 | 0.05 | 0.59 | 2r7oA
Model1 |
| |
| 8 | 0.3680 | 7.58 | 0.05 | 0.59 | 1hn0A
Model1 |
| |
| 9 | 0.3642 | 5.20 | 0.07 | 0.48 | 1mulA
Model1 |
| |
| 10 | 0.3597 | 5.69 | 0.05 | 0.48 | 1yuyA
Model1 |
| |
|
Structural alignment using TM-align
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|---|
PIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGI--KVRQLCKLLRGTKALTEVIPLT----EEA--ELELAENR-EILK--EPV-HGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTP-KFKLPIQKETWETWWTEY--WQATWI---PE-W-EFVNTP--P-----LVKLWYQLEKEPIVGAETFYVD------AGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQ--AQ-PDQSESELVNQIIEQLIK----KEKVYLAWVPAH---------------------
--------------PVWLNQWPLKQEKLQALRQLVTEQLQLGHLEESN--SPWNTPVFVIKKK-SGKWRLLQDLRAVNATMHDMGALQPGLPSPVAVPKGWEIIIIDLQDCFFNIKLHPEDCKRFAFSVPSPNFKRPYQRFQWKVLPQGMKNSPTLCQKFVDKAILTVRDKYQDSYIVHYMDDILLAHPS-RSIVDEILTSMIQALNKHGLVVSTEKIQKYDNLKYLGTHIQGDVVSYQKLQIRTDKLRTLNDFQKLLGNINWIRPFLKLTTGELKPLFEILNGDSNPISIRKLTPEACKALQLVNERLSIARVKRLDLSRPWSLCILKTEYTPTACLWQDGVVEWIHLPHISPK-VITPYDI------------FCTQLIIKGRHRSKELFSKDPDYIVVPYTKVQFDLLLQEKEDWPISLLGFLGEVHFHLPKDPLLTFTLQTAIIFPHMTSTTPLEKGIVIFTDGSANGRSVTYIQGREPIIKENTQNTAQQAEIVAVITAFEEVSQSFNLYTDSKYVTGLFPEIETATLSPRTKIYTELRHLQRLIHKRQEKFYIGHIRGHTGLPGPLAQGNAYADSLTRIL
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AKVEPIKIMLKPGKDGPKLRQWPLTKEKIEALKEICEKMEKEGQLEEAPPTNPYNTPTFAIKKKD---RMLIDFRELNKVTQDFTEIQLGIPHPAGLAKKRRITVLDVGDAYFSIPLHEDFRPYTAFTL---------KRYIYKVLPQGWKGSPAIFQHTMRQVLEPFRKANKDVIIIQYMDDILIASDRTDLEHDRVVLQLKELLNGLGFSTPDEKFQKDPPYHWMGYELWPTKWKLQKIQLPQKEIWTVNDIQKLVGVLNW-----------------AA-QLYPGIKTKHLCRLISGKMTLTEEVQWTELA--------------------EAELEENRIILS--------------------------Q--E---QEGHYYQEEKELEATVQKDQDNQWTYKIHQEEKILKVGKYAKVTHTNGIRLLAQVVQKIGKEALVIWGRIP-KFHLPVEREIWEQWWDNY--WQVT---WIPD-W--DFVST--P----PLVRLAFNLVGDPIPGAETFYTDGSCNRQSKEGKAGYVTDRGKDKVKKLEQTTNQQAELEAFAMALTDSGPKVNIIVDSQYVMGIV-A-SQ-PTESESKIVNQIIEEMIK----KEAIYVAWVPAHKGIGGNQEVDHLVSQGI----
---------------PVWLNQWPLKQEKLQALRQLVTEQLQLGHLEE-SN-SPWNTPVFVIKKKSGKWRLLQDLRAVNATMHDMGALQPGLPSPVAVPKGWEIIIIDLQDCFFNIKLHPEDCKRFAFSVPSPNFKRPYQRFQWKVLPQGMKNSPTLCQKFVDKAILTVRDKYQDSYIVHYMDDILLAHP-SRSIVDEILTSMIQALNKHGLVVSTEKIQKYDNLKYLGTHIQGDVVSYQKLQ---------------------IRTDKLRTLNDFQKLLGN-INWIRP--------------------------FLKLTTGELKPLFEILNGDSNPI---------SIRKLTPEACKALQLVNERLSIARVKRLDLSRPWSLCILKTEYTPTACLWQDGVVEWIHLPHISPKVITPYDI----------FCTQLIIKGRHRSKELFSKDPDYIVVPYTKVQFDLLLQEKEDWPISLLGFLGEVHFHLPKDPLLTFTLQTAIIFPHMTSTTPLEKGIVIFTDGSA-----NGRSVTYIQGREPIIKENTQNTAQQAEIVAVITAFEEVSQSFNLYTDSKYVTGLFPEIETATLSPRTKIYTELRHLQRLIHKRQEKFYIGHIRGHTGLPGPLAQGNAYADSLTRIL
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TWLSDFPQAWAETGGMGLAVRQAPLIIPLKATSTPVSIKQYPMSQEARLGIKPHIQRLLDQGILVPCQSPWNTPLLPVKKPGTNDYRPVQDLREVNKRVEDIHPTVPNPYNLLSGLPPSHQWYTVLDLKDAFFCLRLHPTSQPLFAFEWRDPEM-GISGQLTWTRLPQGFKNSPTLFDEALHRDLADFRIQHPDLILLQYVDDLLLAATSELDCQQGTRALLQTLGNLGYRASA-KKAQICQKQVKYLG--YLLKEGQRWLTEARKETVM--------GQPTPKTPRQ-LREFL-GTAGFCR--LW--IP-GFAE-MAAPLYPN--WGPD-QQKAY---QE-------I-KQA--L--LT--APALGLPDLTKPFELFVDEK-Q-GYAKGVLTQKLGPWRRPVAYLSKKLDPVAAGWPPCLRMVAAIAVLTKDAGKLTMGQ-PLVIKAPHAVEALV--KQPPD-RWLSN--ARMTHY-QALLLDTDRVQFGP----------------------------------------------------------------------------------------------------------------------------------------------------
----------------------------------PVWLNQWPLKQEKLQALRQLVTEQLQLGHLEESNSPWNTPVFVIKKK-SGKWRLLQDLRAVNATMHDMGALQPGLPS-PVAVPK-GWEIIIIDLQDCFFNIKLHPEDCKRFAFSVPSPNFKRPYQRFQWKVLPQGMKNSPTLCQKFVDKAILTVRDKYQDSYIVHYMDDILLAHPSRSIVDEILTSMIQALNKHGLVVSTEKIQK--Y-DNLKYLGTHIQGDVVSYQKL-------QIRTDKLRTLND--FQK-LLG-N-INWIRPFLKLTTGELKPLFE-IL-------NGDSNPISIRKLTPEA-CKALQLVNERL-SIARVKRLDLSRPWSLCILKTEYTPTACLWQDGVVEWIHLPHIS-PKVIT-PYDI--------------FCTQLIIKGRHRSKELFSKDPDYIVVPYTKVQFDLLLQEKEDWPISLLGFLGEVHFHLPKDPL-------LTFTLQTAIIFPHMTSTTPLEKGIVIFTDGSANGRSVTYIQGREPIIKENTQNTAQQAEIVAVITAFEEVSQSFNLYTDSKYVTGLFPEIETATLSPRTKIYTELRHLQRLIHKRQEKFYIGHIRGHTGLPGPLAQGNAYADSLTRIL
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SSMILTQFGPFIESISGITDQSNDVFEDAAKAFSMFTRSDVYKALDEIPFSDDAMLPIPPTIYTKPSHDSYYYI--------DALNRVRRKTYQGPDDVYVPNCSIVELLEPHETLTSYGRLSEAIENRAKDGDSQARIATTYGRIAESQARQIKAPLEKFVLALLVAEAGGSLYDPVLQKYDEIPDLSHNCPLWCFREICRHISGPLPDRAPYLYLSAGVFWLMSPRMTSAIPPLLSDLVNLAILQQTAGLDPSLVKLGVQICLHAAASSSYSWFILKTKSIFPQNTLHSMYESLEGGYCPNLEWLEPRSDYKFMYMGVMPLSAKYARSAPSNDKKARELGEKYGLSSVVGELRKRTKTYVKHDFASVRYIRDAMACTSGIFLVRTPTETVLQEYTQSPEIKVPIP-QKDWTGPIG--EIRILKDTTSSIARYLYRTWYLAAARMAAQPRTWDPLFQAIMRSQYVTARGGSGAALRESLYAINVSLPDFKGLPVKAATKIFQAAQLANLPFSHTSVAILADTSMGLR-NQVQRR----PRSIMPLNVPQQQVSAPHTLTADYINYHMNLSPTSGSAVIEKVIPLGVYASSPPNQSINIDISACDASITWDFFLSVIMAAIHEGVASSSIGKPFMGVPASIVNDESVVGVRAARPISGMQNMIQHLSKLYKRGFSYRVNDSFSPGNDF--------THMTT-TFPSGSTATSTEHTANNSTMMETFLTVWGPEHTDDPDVLRLMKSLTIQRNYVCQGDDGLMIIDGTTAGKVNSETIQNDLELISKYGEEFGWKYDIA--YDGTAEYLK-LYFIFGCRIPNLSRHPIVGKERANSSAEEP----WPAILDQIMGVFFNGVHDGLQWQRWIRY-SWALCCA-FSRQRTMIGESVGYLQYPMWS-FVYWGLPLVKAF-GSDPWIFSWYMPTGDLGMYSWISLIRPLMTRWMVANGYVTDRCSTVFGNADYRRCFNELKLYQGYYMAQLPRNPKEVREQFTQALSDYLMQNPELKSRVLRGRSEWEKYGAGIIHNPPSLFDVPHKWYQGAQEAAIATREELAEMDETLMRARRHSYSSFSKLLEAYLLVKWRMCEAREPSVD--------LRLPLCAGIDPLNS-------------D----PFLK-M-VSVGPMLQSTRKYFAQTLFMAKTVSGLDVNAIDSALLRLRTLGADKKALTAQLLMVGLQESEADALAGKIMLQDV--NTVQLARVVNLAVPDTW--MSLDFDSMFKHHVKLLPKDGRHLNTDIPPRMGWLRAI-LRFL-GAGM--VMTATG-VAVDIYLE-----D-IHGG-----------------------------------------------------------------------GRSLGQRFMT--WMRQEGR---------------------------------------------------
--------------------------------------------------------------------------PVWLNQWPLKQEKLQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------A--LRQLVTEQLQL--GH-LE--------ESN----------------------------------------------------------S-------------------------------------P--WNTPVFVI-KKK----SGKWRLLQDLRA-VNATMHD--MG--A--L------QPG-----LPSPVA-VP-KGW--EIIIIDLQDCFFNI----KL---HP--------------------------------------------E-DCKR--FAFSVP-----------SPNFKRPYQRFQWKVLPQGMKNSPTLCQKFVDKAILTVRD----------------KYQD--SYIVHYMDDILLAH------PS-RSIVDEILTSMIQALNKHGLVVSTEKIQKYDNLKYLGTHIQGDVVSYQKL-QIRT------------DKLRTLNDFQKLLGNINWIRPFLKLTT-GEL-KPLFEIL-NGDSNP--------ISIRKLT-PEA-----CKAL-QLVNERLSIA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RVKRLDLSRPWSLCI-------LKTEYTPTACLWQDGVVEWIHLPHISPKVITP--Y--D--------------------------------------------------------------IFCTQLII----KGRHR--SKELFSKDPDYIVVPYTKVQ-FDL-LLQEKEDWPISLL-GFLG-EVH--FHL-----PKDPLLTFTLQTAIIFPHMTSTTPLEKGIVIFTDGSANGRSVTYIQGREPIIKENTQNTAQQAEIVAVITAFEEVSQSFNLYTDSKYVTGLFPEIETAT--LSP------RTKIYTELRHLQRLIHKRQEKFYIGHIRGHTGLPGPLAQGNAYADSLTRIL
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VETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREG-KTCAF--IDAEH--ALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIEGEIGDSHMGLAARMMSQAMRKLAGNLKQSNTLLIFINQIRMKIGVMFGNPETTTGGNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQI------------------------------------LYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLLSNPNSA-----IDENKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIA---LGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLC-------SQPDTGEQALEICDALARSGAVDVIVVDSVAA------LTPKA------EIEGEIGDSHMGLAARMMSQAMRKLAGNLKQSNTLLIFINQIRMKI-----------------GVMFGNPETTTGGNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLLSNPNSAIDENKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPMGRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPD-------------------------------------------------------------TGEQALEICDALARSGAVDVIVVDSVAALTPKAEIEGEIGDSHMGLAARMMS-QAMRKLAGNLKQSNTLLIFIN---QIRMKIG-VMFGNPETTTGGNALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLLSNPNSAIDENKQKALAAALGQIEKQFGKGSIMRLGEDRSMDVETISTGSLSLDIALGAGGLPM--GRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHALDPIYARKLGVDIDNLLCSQPDTGEQALEICDALARSGAVDVIVVDSVAALTPKAEIEGEIGDSHMGLAARMMSQAMRKLAGNLKQSNTLLIFINQIRMKIGVMFGNPETTT-GGN-ALKFYASVRLDIRRIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILYGEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLLSNPNSAIDENKQKALAAALGQIEKQFGKG---------SIMRLGEDRSMDVETISTGSLSLDIALGAGGLPM----GRIVEIYGPESSGKTTLTLQVIAAAQREGKTCAFIDAEHA--LDPIYARKLGVDIDNLLCSQ-PDTGEQALEICDALARSGAVDVI--VVDSVAALTPKAEIEMGLAARMMSQAMR-------K-LAGNL-KQSNTL-LIFINQIRNPETTTGGNALKFYASVRLDIR---RIGAVKEGENVVGSETRVKVVKNKIAAPFKQAEFQILY--GEGINFYGELVDLGVKEKLIEKAGAWYSYKGEKIGQGKANATAWLKDNPETAKEIEKKVRELLL-------------
-------------------------------------PV-WLN-QWPLKQ-EKLQALRQLVTEQLQLGHLEESNSPWNT---P-------------------------VFVI--K--K---------------------K-SG---K----------WRLLQ-----------------------------D-LRAVNATM---HDM------------------------GALQPGLPSPVAVPKGWEIIIIDLQDCFFNIKLHPEDCKRFA------------------------------------------------------------------FSVPSPNF-KR--P----------------YQRF-Q--WKVL------------PQGMKN--SP--TLCQK-------FV-DKA-ILT--------VRDKYQDSYI-----------------VHYMDDILLAHPSRSIVDEILTSMIQALNKHGLV-----VSTEKIQKYDNLKYLGTHIQGDVVSYQKL----------------------------------QIRTDKLRTLNDFQKLLG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NINWIRPFLKLTTGELKPLFEILNGDSNPISIRKLTPEACKALQLVNERLSIARVKRLDLSRPWSLCILK------------TEYTPTACL---WQ-DGVVEWIH-LPHISP-KVIT------------------PYDIFCTQL-II----KGRHRSKELFS-----KDPD----------------------------------------------------------------------------------------------------------------------------------------------------------------------YIVVPYTKV-------------------------------------------------------------------------------QFD--------------------------------------------LLLQEKEDWP----ISLL-GFLGEVHFHLPK-----------------------------------------------------------------------------------------------------------------------------------------DPLLTFTLQTA--------------------------------IIFPHMTSTTPL---EKG--IVI--------------FTDGSA-NGRSVTYIQ-GREPI--IKENTQNTAQQAEIVAVITAF----EEVSQSFNLYT-DSKYV-----TGLFPEIETATLSPRTKIYTELRHLQRLIHKRQEKFYIGHIR-----G----------------HTGL------------P---------------------G--PLA---------------------------------------------------------------QGNAYADSLTRIL
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MVHYYRLSLKSRQKAPKIVNSKYNSILNIALKNFRLCKKHKTKKPVQILALLQEIIPKSYFGTTTNLKRFYKVVEKILTQSSFECIHLSVLHKCYDYDAIPWLQNVEPNLRPKLLLKHNLFLLDNIVKPIIAFYYKPIKTLNGHEIKFIR--------KEEYISFESKVFHKLKKMK---YLVEVQDEVKPRGVLNIIPKQDNFRAIVSIFPDSARKPFFKLLTSKIYKVLEEKYKTSGSLYTCWSEFTQKTQGQIYGIKVDIRDAYGNVKIPVLCKLIQSIPTHLLDSEKKNFIVDHISNQFVAFRR------KIYKWNHGLLQGDPLSGCLCELYMAFMDRLYFSNLDKDAFIHRTVDDYFFCSPHPHKVYDFELLIKG-V----YQVNPTKTRTNLPTHRHPQDEIPYCGKIFNLTTRQVRTLYKLPPNYEIRHKFKLWNFNNQISDDN----PARFLQKAMDFPFICNSFTKFEFNTVFNDQRTVFANFYD-AMIC--VAYK---FDAAMM----ALRTSFLVNDFGFIW-LVL-SS--TVRAY-AS--R---A---------------------F---KKIVTYKGGKYRKVT-FQCLKSIAWRAFLAVLKRRTEIYKGLIDRIKSREKLTMKFHDGEVDASYFCKLPEKFRFVKINRKASI---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
------------------------------------------------------------------------------------------------------------------------------------------------------PVWLNQWPLK--QEKLQALRQLVTEQLQLGHLEESNS-PWNTPVFVIKKKSGKWRLLQDLRAV--NA-TM--HD--MGA-LQ----PGLPSPVAV--PK--G---WEIIIIDLQDCFFNIKL---H-------------------PEDCKRFAFSVPSPNFKRPYQRFQWKVLPQGMKNSPTLCQKFVDKAILTVRDKYQD-SYIVHYMDDILLAHPSRSIVDEILTSMIQALNKHGLVVSTEKIQK--------YDNLKYLGTHIQG--DVVSYQKLQ-----IR----------------TDKLRTLNDFQKLLG--NINWIRP--F---------LK-LTT-GEL--KPL---FEIL-----NGDSNP---I-S--IRKLTPEACKALQLVNERLSIARVKRLDLSRPWSLCILKTEYTPTACLWQDGVVEWIHLPHISPKVIT-PY-------------------------------------------------------------------DIFCTQLIIKGRHRSKELFSKDPDYIVVPYTKVQFDLLLQEKEDWPISLLGFLGEVHFHLPKDPLLTFTLQTAIIFPHMTSTTPLEKGIVIFTDGSANGRSVTYIQGREPIIKENTQNTAQQAEIVAVITAFEEVSQSFNLYTDSKYVTGLFPEIETATLSPRTKIYTELRHLQRLIHKRQEKFYIGHIRGHTGLPGPLAQGNAYADSLTRIL
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GKYNLILSEYLSFIYNSVQIPIYYSSNSELENRCIEFHSKCLENSKNGLSLRKLFVEYNDVIENATLLSILSYSYDKYNAVERKLVKYAKGKPLEADLTVNELDYENNKMTSELFPTAEEYTDSLMDPAILTSLSSNLNAVMFWLEKHENDVAEKLKVYKRRLDLFTIVASTINKYGVPRHNAKYRYEYDVMKDKPYYLVTWANSSIEMLMSVFSHDDYLIAKELIVLSYSNRSTLAKLVSSPMSILVALVDINGTFITNEELELEFSNKYVRAIVPDQTFDELNQMLDNMRKAGLVDIPKMIQDWLVDRSIEKFPLMAKIYSWSFHVGFRKQKM----------------LDA--ALD--QEM--YREYTMLIRDEVVKMLEEPVKHDDHLLRDSELAGLLSMSSASNGESRQLKFGRKTIFSTKKNMHVMDDMANERYTPGI------IPPVNVDKPIPLG-RRDVPGR--RT-RIIFILPYEYFIAQHAVVEKMLIYAKHTREYAEFYSQSNQLLSYGDVTRFLSNNTMVLYTDVSQWDSSQHNTQPFRKGIIMGLDILANMTNDAKVLQTLNLYKQTQINLMDSYVQIPDGNVIK--------KIQYG--AVASGEKQTKAANSIANLALIKTVLSRISNKHSFATKIIRVDGDDNYAVLQFNTEVTKQMIQDVSNDVRETYA-RMNAKVKALVST-VGIEIAK-RYIAGGKIFFRAGINLLNNEKRGQST----QWDQAAILYSNYIVNRLRGFE--TD-REFI--LTKIMQMTSVAITGSLRLFPSERVLTTNSTFKVF-------DSEDF-IIEYGTTVDEVYIQRAFMSLSSQKSGIADEIAASSTFKNYVTRLSEQLLFSKNNIVSRGIALTEKAKLNSYAPISLEKRRAQISALLTMLQKPVTFKSSKITINDILRDIKPFFTVSDAHLPIQ------------YQKFMPTLP---------D-N-----VQYII-QCIGSRTYQIEDDGSKSAISRLISKYSVYKPSIEELYKVISLHENEIQLYLISLGIPKIDADTYVGSKIYSRDKYRIL--ESYVYN-LLSINYGC--YQLFDFNSPDLEKLI--RI-P--FKGKIPAVTFI-LHL-YAKL-EVINYAIKNGSW------ISLFCNYPK-S-----------------------------------------------------------------EMIKL-W-K-KMWN--ITSLRSPYTNANFF--------------------------------------------------
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PVWLNQWPLKQEKLQAL--RQLV-TEQ--LQLG----------------------------------------------------------------------------HLEESNSPWNT--PVFVI-KK-K----SGK-WRLLQDLRAVNATMHD--M--GA--L-----Q-PGL--PSPVA-VP--K--G----WEIIIID-LQ--D-CFFNI-KL--HP---------------------ED-CKRF-AFSVP--------SPNFKRPYQRFQWKVLPQGMK-NSPTLCQKFVDKAILT-VR--D---KYQDSYIVHYMDDILLAH-----PSRSIVDEILTSMIQALNKHGLVVSTEKIQ-KYDNLKYLGTHIQGDVVSYQKLQIRT---------DKLRTLNDFQKLLGNINWIRPFL--KLT-TGE--LKPLFEILNGDSNP---ISIRKLTPEA---------CKALQLVNERL-SI---------------------------------------------------------------------------------------------------------------------------ARVKRLDLSRPWSLCILK---TEYTPTACLWQDGVVEWIHLPHISPKVITPYDI--------------------------------------------------------------------FCT--QL-IIKGRHR--SKELFSKDPDYIVVPYTKVQFDLLLQEKEDWPISLLGFLGEVHF-HLPKDPL------LTFTLQTAIIFPHMTSTTPLEKGIVIFTDGSANGRSVTYIQGREPIIKENTQNTAQQAEIVAVITAFEEVSQSFNLYTDSKYVTGLFPEIETAT--LSPR------------TKIYTELRHLQRLIHKRQEKFYIGHIRGHTGLPGPLAQGNAYADSLTRIL
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ATSNPAFDPKNLMQSEIYHFAQNNPLADFSSDKNSI-LTLSDKRSI-MGNQSLLWKWKGGSSFTL--HKKLIVPTDKEASKAWGRSSTPVFSFWLYNEKPIDGYLTIDFGEKLISTSEAQAGFKVKLDFTGWRAVGVSLNNDLENVDSIRFKAPSNVSQGEIYIDRIMFSVDDARYQWSDYQVKTRLSEPEIQFHNVKPQLPVTPENLAAIDLIRQR-------------LINEFVGGEKETNLALEEN-ISKLKSDFDALNIHTLANGGTQGRHLITDKQIIIYQ--PEN--LNSQD-----------------KQ-L---FDNYVILGN--Y---------------TTLMFNISRAYVLEKDPTQKAQLKQ-MY-------LLMTKHL--LDQGFVKGSALVTTHHWGYSS-----RWWYISTLLMSDALKEANLQTQV----YDSL-LWYSREFKSSF--------DMKVSADSSDLDYFNTLSRQHLALLLLEPDDQKRINLVNTFSHYITGALTQVP-PGGKDGLRPDGTAWRHEGNYPGYSFPAFKNASQL----------------------------IYLLRDTPFSVGE--------------SGWNNLKKAM-----------VSAWIYSNPEVGLPLAGRHPFNSPSLKSVAQGYYWLAMSAKSSPDKTLASIY-LAISDKTQNESTAIFGETITPASLPQGFYAFNGGAFGIHRWQDKMVTLKAYNTNVWSSEIYNKDNRYGRYQSHGVAQIVSNGSQLSQGYQQEGWDWNRMEGATTIHLPLKDLDSPKPHTLMQRGERGFSGT------------SSLEG--QYGMMAFNLIYPANLERFDPNFTAKKSVLAADNHLIFIGSNINSSDKNKNVETTLFQHAITPTLNTLWINGQKIENMPYQTTLQQGDWLIDSNGNGYLITQAEKVNVSRQHQVSAENKNRQPTEGNFSSAWIDHSTRPKDASYEYMVFLDATPEKMGEMAQKFRENNGLYQVLRKDKD------VHIILDKLSNVTGY------------------AFYQPA-SI--EDKWIKKVNK------PA-IVMTHRQKDTLIV---SAVTPDLNMTRQKAATPVTINVTINGKWQSADKNSEVKYQVSGDNTELTFTSYFGIPQEIKLSPLP-------------------------------
----------P--VWLNQ-------W-PLKQEKLQALRQLVTEQL-QLGHLEE------------SNSPWN-------------------TPVFVIK-----------------------------KKSG------------------------------KWRLLQDLRAVNA--------------------------------------------TMHDMGALQPGLPSPVAVPKG---------W-EI--II--I--D-L-------QDCFFNI---------KLH--PEDCKRFAFSVPSPNFKRPYQRFQWKVLPQGMKNSPTLCQKFVDKAILTVRDKYQDSYIVHYMDDILLA--HPSRSIVDEILTSMIQALNKHGLVVST--EKI--------------------QKYDNLKYLGTHIQGD------------VVSYQ---KL----------QIRTDKLRTLNDFQKLLGN-IN---WIRPF------------------LKLTTGELKPLFEILNGD------------------------------SNPISIRKLTPEACKALQLVNERLSIARVKRLDLSRPWS--LCILKTEYTPTACLWQDGVVEWIHLPHISPKVITPYDIFCTQLII-------------KGRHRSKEL-F------------------SKDPDYI-------------VVPYTKVQ------------FDLLLQEKE--------------------------DWPISLLGFLGE---------------------------------------------VHFHLPKDPLLTFTLQTAIIFPH------------------------MTS----T------------------------------------------------------------------------------------------------------------------------------T---PLEKGIVIFTDGSANGRSVTY-----------IQGREPIIKENTQNTAQQAEIVAVITAFEEVSQSFNL--YTDSKYVTGLFP----------EIETATLSPRT--------KIYTEL---------------------------RHL---QRLIHKRQE--KFYIGHIRGHTGLPGPLAQGNAYADSLTRIL
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MNKTQLIDVIAE-----------------------------------------------------KAEL--SK--T-------------------------------------------------------------------QAKAALESTLAAITESLKEGDAVQLVGFGTFKV-NHRAEAAANVP--------A----------FV-------------SGKAL--KDAVK-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
------------PVWLNQWPLKQEKLQALRQLVTEQLQLGHLEESNSPWNTPVFVIKKKSGKWRLLQDLRAVNATMHDMGALQPGLPSPVAVPKGWEIIIIDLQDCFFNIKLHPEDCKRFAFSVPSPNFKRPYQRFQWKVLPQGMKNSPTLCQKFVDKAIL-TV-----------RDKYQ----DSYIVHYMDDILLAHPSRSIVDEILTSMIQALNKHGLVVST--EKIQ-K-YDNLKYLGTHIQGDVVSYQKLQIRTDKLRTLNDFQKLLGNINWIRPFLKLTTGELKPLFEILNGDSNPISIRKLTPEACKALQLVNERLSIARVKRLDLSRPWSLCILKTEYTPTACLWQDGVVEWIHLPHISPKVITPYDIFCTQLIIKGRHRSKELFSKDPDYIVVPYTKVQFDLLLQEKEDWPISLLGFLGEVHFHLPKDPLLTFTLQTAIIFPHMTSTTPLEKGIVIFTDGSANGRSVTYIQGREPIIKENTQNTAQQAEIVAVITAFEEVSQSFNLYTDSKYVTGLFPEIETATLSPRTKIYTELRHLQRLIHKRQEKFYIGHIRGHTGLPGPLAQGNAYADSLTRIL
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SMSYS-----WTGALITPCSPEEEKLPINPLSNSLLRYHNKVYCTTSKSASLRAKKVTFDRMQVLDAYYDSVLKDIKLAASKVSARLLTLEEACQLTPPHSARSKYGFGAKEVRSLSGRAVNHIKSVWKDLLEDS----QTPIPTTIMAKNEVFCVDKKAARLIVYPDLGVRVCEKMALYDVTQKLPQAVMGASYGFQYSPAQRVEFLLKAWAEKKDPMGFSYDTRCFDSTVTERDIRTEESIYQACSLPEEARTAIHSLTERLYVGGPMFNS-KG-----QSCGYRRCRASGVLTTSMGNTITCYVKALAACKAAGIVAPTMLVCGDDLVVISESQGTEEDERNLRAFTEAMTRYSAPPGDPPRPEYDLELITSCSSNVSVALGPQGRRRYYLTRDPTTPIARAAWETVRHSPVNSWLGNIIQYAPTIWVRMVLMTHFFSILMAQDTLDQNLNFEMYGSVYSVSPLDLPAIIERLHGLDAFSLHTYTPHELTRVASALRKLGAPPLRAWKSRARAV------------------RASLISRGGR-AA-VCGRYLFNWAVKTKL----------------------KLTPLPE------------AR----LL--DL-SSWF--TVGAGGGDIYHS----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
-----PVWLNQWPLKQEK----------------------------LQALRQLVTEQLQLGH-------------------------------------------------------------------------LEESNSPWNTPVFVIKKK----SGKWRLLQDLRA-VNATM--HDM-GA---L-------Q-PGLP--S-PVA-VP-KG----WEIIIIDLQDCFFNIKL--HP--------------------E-DCKR--FAFSVP-SP-NFKRPYQRFQWKVLPQGMKNSPTLCQKFVDKAILTVRD--KYQDSYIVHYMDDILLAHPS--RSIVDEILTSMIQALNKHGLVV-STEKIQ-KYDNLKYLGTHIQG-------DVVS---------------------------------YQK--LQ--IRT-DKLRT--LNDF--------------QKLLGNINWIR-PFLKLTT----------------------------------GELKPLFEILNGDSNPISIRKLTPEAC-KALQLVNERLSIARVKRLDLSRPWSLCILKTEYTPTACLWQDGVVEWIHLPHISPKVITPYDIFCTQLIIKGRHR--SKE-----------LFSKDPDYIVVPYTKVQFDLLLQEKEDWPISLLGFLGEVHFHLPKDPLLTFTLQTAIIFPHMTSTTPLEKGIVIFTDGSANGRSVTYIQGREPIIKENTQNTAQQAEIVAVITAFEEVSQSFNLYTDSKYVTGLFPEIETATLSPRTKIYTELRHLQRLIHKRQEKFYIGHIRGHTGLPGPLAQGNAYADSLTRIL
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| (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. |
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| (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). |
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| Consensus Prediction of Gene Ontology terms | | |
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| (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. |
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Binding site residues in the model:
| PRO: | 75 | | VAL: | 80 | | PRO: | 81 | | LYS: | 82 | | ILE: | 86 | | TYR: | 159 | | ILE: | 160 | | | VAL: | 161 | | LEU: | 168 | | LEU: | 169 | | ALA: | 170 | | LEU: | 206 | | TYR: | 208 | | ILE: | 213 | | | GLY: | 215 | |
| Identified analogs with similar binding site:
| Rank | PDB
Hit | TM-score | RMSDa | IDENa | Cov. | BS-score | Download
Complex | Binding site residues on the predicted model |
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| 1 | 1lw0A | 0.8407 | 1.64 | 0.24 | 0.87 | 0.64 | Download | 75,80,81,82,86,159,160,161,168,169,170,206,208,213,215 |
| 2 | 1c0tA | 0.4433 | 1.64 | 0.28 | 0.46 | 0.28 | Download | 75,80,81,86,159,160,161,168,169,170,208,213,214,215 |
| 3 | 2cg9B | 0.3253 | 7.70 | 0.06 | 0.53 | 0.27 | Download | 86,87,88,152,158,159,160,161,167,168,169,170,171,206,208 |
| 4 | 1ra7A | 0.3277 | 4.80 | 0.07 | 0.41 | 0.24 | Download | 46,52,54,92,93,95,96,131,132,165 |
| 5 | 3bsnA | 0.3417 | 5.38 | 0.11 | 0.45 | 0.03 | Download | 90,91,92,93,94,95,96,130,131,132,136,165 |
| (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. |
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