Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAETLAPNDVGGISVTKLFSSDSTAALGQQLSSIFSNLNSTPNDRQQRAEECLSALTDTLFLHENELGANESLHERIIALIDGTFCTSVDKGCSSFRVVFDVKWKDQHEKRNRCFVLLLSRAFKCTTPEDCLKVIQCLGEVLEDNIRTTTDLLADNVEPLLRDLFAADVHRRTVACEVLAKIVS---TTTFIIKRNPTLLELLTSSCAPLVTLKDAMETRNLWHRTALIRLTSALVENCYEVTPAVAKDVADLVFRYMRAAEDES-QLVGVLSALIHVAVTPAFVSAPWDLPQLVRFLCETDWSVYAVATRVAAVAAINKVAFFFCQEEKACYEALRTRSLEFISLDDAVEVVTEGLELIKEMEVLERELHLGTAVVNALCACIQRLPHVPIIYELLELIRERYGDLEVKPIYSLLEGYLDTKQELLNFGKVNALLRFAGPRIRLDDPRLAQLRINVGANQPIPVILHSLPLLTTLQRTEQLHEVLEILSHDDRGVRRVAVSTALELCEIMMERNKFRNATPKGGVQRMQWLDEEVSNAVERVLDVAVADRDPEIRLWALQHLTVPFFPYLCLCDNLDAIFMARNDNDKATRDQALTLLCQLLPYHPTVVQPQLQRAQEYMLHDVATMDASVSFAVCKA-----GLLKMCVDHEALLIEKSTVEAIVLRRLEAQPFISRSLSIALLQLIRSILERTASQHHSDFHSFLRPLLLIVNGGDSCTRRREALETLTAFISHITKTDISGLSEVYRAVARIIRRETEEEESVTIAAMKVLSSIGAVTPVKMRHVFRMVESDEMEEEEEVVTPALAHCKPRLRISTDMPERYPSTVLYYLVRSLQLALDPKQQVDTLVAVRTMLHDVEGKVKLNLLTQLLPQLQTWLRDPERAFLYETVLGLMNDLAILLCQFKESVAPSVGHELLRSVQAFCLLPQASQKPFSAYVVQLLDSLAKGIPAQEMRDNRWAIEFIHQRLSQNKNDLDLVHRVVKSLESFIAVMHEKELQMILPHVLQCIEPAKASPGGKLSKSKDINDACFDFLNFVMAKQLTLVKHCCAQIVHTIMWYIELADSNEEMDVGLNTLATLVDTVKMPAKRFIMPIERVAVRNGFPPQYFVNLVQSAAGGAKIRMTTSNGTGLNPDRPITLVSHLPRLSQAEFEHEMRSTPRSENVLIDVLDVRHHQGQTMIDFRFHPGTDTAACCNLFSRKATDNKSAMRRNLGILRVEQTEESPRPVGADVIKALANLPVAKTKKREQSWVLWLHNATVTLLRNSPYAVLRDTCAVADRNTELAKDLFPFAVAAVCGHLETPLRAQLMDIFDRALAAAPADVKQGLFCFAEFMESERDDDRVKLVKVMRESVFSVDRESTSQKFGINYDQDPERGVIVTKLAPNGLGARAGVPIGAQLLAINDIPVRAVSDIRGLIEGLTHIELLLSYEVEEKTKSKPKPLMNLEVLASVAFSGEMHIKAIYFNEVLFESLSSKICKITDRKDSQMRRVMTIAEDLIQYYRHLNMTMTANGLLKTLTRKFSDEIFAPEQFGFEEIASLEQLNWWSEALRRYEARMASFGARYLEVASLVGVLRCEQALGHSSRVQELAEQYWEQLPVDAQREVAPFRAKAAFCLGAWDTFDALALDKRMQSCFGVVERCAALFRAECHDELLRYTDKVRESMLESFADSLNENYNRAYEGMTRLQHLRHFEELVSFTTACE--ERQALLKRVWHRRLVQMSSRPDDLMTVLSINSLVLEPEDDLHSYVYVIRCLCKSQWFSHAEHLLQ--RLLRENASLEVLCECDPELIHTYIKYVYLAKDKHGAYVELKNILSAVEVD-----PEDPRAEMWGQCWLLLGEWTMYLFPDCG----EEAIKELMCATELGPNSAAAFHSLGILHCDLARDPSTQGEVQ-----------------NNHLICCINSLFKSIQLCNDVPGSLVMQDVLRILSVWFANSSIREINEAVHHGVQVVADHVWLNVVPQLIARIGIEARYARAILTDLLIRVGSQYSHALIYPLTVAEKSPDAVRRHMAERVIMGMRNIPENDRIVKEASLVSNEMVRIAILWTEKWHAAIQQAAYKP---NNTAAIFSMLQPLYAELDR-ASTPNELSFRCNFGQTLRRAKVALEEAKT-------EEAWGFLRQVYAQLRRGVLE-RRLYMSDVSPTLDGIQDSIVAVPGTFEHDKPLITILKFHSRVYVMPSKQKPRRIGLDASDGKKYRFLLKGHEDMRQDERVMQFIRLIDTIFQSDNAASAIGLSIPQYAVIPLTDNVGVVGWVENTETIYKMLETYRQAHEVSIYEEVNLIMKKGGLDTIEDYHRLPKQQRKALLNYAMENTPKNELRHIFWDHNDTCEQWLSYRQTYGQTLAAMSMVGYVLGLGDRHLNNLML-QGNGTVVHIDFGDCFEVAMHRALYAEAVPFRLTRLLVCALGITGVDGLYRMTCELAMKNLHRHSENLLSILEAFIYDPIINWRLNTVNDVTEKSGSKSAQQESSNGGTAALAGETAAAACLGVDDAAQAEAKPVAMQLSKSVSKLVPHSALPGESQMFENGEETRNQQGDLALARVQAKLTGQDFGVVNSSFSMMRSSRRLEAGGSQPQGSSWGSNSLAGFTDSPKDSFAAPLLTTYLSLRVLNGGAESLDVPHQVDRLIQEATSLDNLSDAFLTGWAPFW 5FVM Chain:A ((85-2469)) ---NVKAFDLIFTKLNQLERVAASYELKSCLISLVS-----TEYFQRFSNDINNKVFELIHDSNEKLGGVLAVDTLI-----DELPNQTSRLANYLRVLIDIEVMRAAATTLGKLAVLTSEFVEFEVKTCIEWLTQEYRKHASLLIISSYPFVNSILDNIWRAL--RKLVIRTDAAVTLGKCLTSSLTKKWVQRLFNGCIHGTLLVYRQLVSLELKDKYEEIYETTMKHRDNIIIRKEIYAIIPVLAADPKLFTQKYLDATMIHYLTLLLSDKGPILVSIGDIAYHIGPYLDAIVENLRDGLETKFKTR---------KEKDIFYCVSKLACAVRPLLAKYLNRGLLDASDHMQETLLVICEKISMEVTVNE-------------KLLNIICLVLSGEKFRPPGSPTPMKSLSSETARAYRDQSLLRKTGTLDAMILRKALRMLSD--------------------IKPKYSLTEFIRRVIISY----MEHDNMQVRKLAALTSCDLFV------------------KSLYALNVVSEVLSKLLTVAITDPVAEIRLEILKHL-----DRLSQPDNTKLLFMALNDEVFAIQMEAMKICGRL-AVIPSLRKTLIQLLTELKHSKMTRKKEECASLLCTLISSSSDVTKPYLEPVIEILLPSAVASTALKALGEISVVGGEDMLPFLDELMPLIIDTFQDQSNSF------------------KRGAALKALGQLAAS-------SYPELLGVLINILSQNIRRETVRLIGIL------GALDPYKHREV-------------------------DVALLMQGEEYYPTVVIGVLMKILKDSIHHSTVIQAIMHIFQTMF----------LKQIIPGFILVMHPPSLLELYFQQLSVL--ISIVKQHIRPHVTEIVDVISLTIISVIESLSRALEGEFNPHLPTILSLFLDVLENKKVVSVRILKSLVVFG-PHLEEYVHLVLPTIIKLSSG------------NLKKAAIITIGRLSKNNALEMSSRIVQALVRVLN-----------------------------ETEYVKATMNTLSLLLLQLNIDFTVFIPVINKTL----------------------------------------------TIYDRLVAKLLNNEPLPTKIIIDK------------DFDL-------------PNKEMDDVKVASKKL-------------PVNQMVLKNAWDCSQQRTKEDWQEWIRRLS-------IESSSHALRACSGLAGIYYPLARELFNASFAQYQEDLIQSLCAALSS---------------TLLNLVEFMEHDD---------------------------------------------------------------------------------------------------KPLPI-SISTLGEYAQRCHAYAKALHYKELEFIE---------EPSTSTIESLITINNQL-------HQTDAAIGILKHAQQHHDLQL---------KETWYEKLQRWDDALNAYNKREAE---------VTIGKMRSLHALGEWDQLSELAADKWA--SSEVKRAIAPLAAGAAWGLAQWDRVEQYIEVMKPQS----PDKAFFDAILCLHRNNFEKAAEHIFSARDLLVTEMSALYNRAYGVVVRTQMVAELEEIIQYKKLPQGSERRAMIRKTWNKRLLGCQN-VDVWQRVLKVRSLVIKPKQDM------------KVWIKFANLCRKSGRLGLAQKTLNTLLEAPPPVVYAQLKYMWATGSQKEALNHLISFTSRMAHDLGLQHHIEDYTKLLARCFLKQGEWRVSLQPNWRLENPDAILGSYLLATHFDKTWYKAWHNWALANFEVTSSLTQRIKDDKVPPTLNANDNFPPELVQRHVVPAIKGFFHSIALSQSS-----LQDTLRLLTLWFKFGGIPEAAQAMHEGFGLIKIDNWLEVIPQLISRIHQPNQTVSRSLLSLLADLGKAHPQALVYPLTVAIKSDSVSRQRAALSIIDKMRM--HSPKLVNQAELVSDELIRVAVLWHELWYEGLEDASRQFFGEHNTEKMFATLEPLHEMLKRGPETLREISFQNSFGRDLNDAYEWVLNYKRTKDINNLNQAWDIYYNVFRRISRKLPQLQTLDLQHVSPKLSAAKDLELAVPGTYHAGKPIVRITHFEPVFTVISSKQRPRRVIIKGSDGKDYQYLLKSHEDIRQDNLVMQLFGLVNTLLQNDPESFQRHLNIQQYPAIPLSPKTGLLGWVPNSDTFHVLIREHREASKIPLNIEHRIMLQMA-----PDYDNLTLLQKVEVFTYALDNTKGQDLYKVLWLKSRSSESWLDRRTTYTRSLAVMSMVGYILGLGDRHPSNLMLDRITGKVVHIDFGDCFEAAILREKYPEKVPFRLTRMLTYAMEVSGIEGSFRITCENVMMVLRDNKESLMAILEAFAYDPLINWGFDLPTHAVMEQTGIDLPLANPS--------ELLRKGVISVEDAAKME---------------------------LQQKAEVRNARATLVLKRIADKLTGNDFPRCQE-----------------------------------------------------------LSVPDQVDKLIQQATSVENLCQHYI-GWCS--

General information: TITO was launched using: RESULT: Template: 5FVM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 9698 -1758 -0.18 -0.85 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -0.18 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.275

(partial model without unconserved sides chains): PDB file : Tito_5FVM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FVM-query.scw PDB file : Tito_Scwrl_5FVM.pdb: