Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAETLAPNDVGGISVTKLFSSDSTAALGQQLSSIFSNLNSTPNDRQQRAEECLSALTDTLFLHENELGANESLHERIIALIDGTFCTSVDKGCSSFRVVFDVKWKDQHEKRNRCFVLLLSRAFKCTTPEDCLKVIQCLGEVLEDNIRTTTDLLADNVEPLLRDLFAADVHRRTVACEVLAKIVSTTTFIIKRNPTLLELLTSSCAPLVTLKDAMETRNLWHRTALIRLTSALVENCYEVTPAVAKDVADLVFRYMRAAEDESQLVGVLSALIHVAVTPAFVSAPWDLPQLVRFLCETDWSVYAVATRVAAVAAINKVAFFFCQEEKACYEALRTRSLEFISLDDAVEVVTEGLELIKEMEVLERELHLGTAVVNALCACIQRLPHVPIIYELLELIRERYGDLEVKPIYSLLEGYLDTKQELLNFGKVNALLRFAGPRIRLDDPRLAQLRINVGANQPIPVILHSLPLLTTLQRTEQLHEVLEILSHDDRGVRRVAVSTALELCEIMMERNKFRNATPKGGVQRMQWLDEEVSNAVERVLDVAVADRDPEIRLWALQHLTVPFFPYLCLCDNLDAIFMARNDNDKATRDQALTLLCQLLPYHPTVVQPQLQRAQEYMLHDVATMDASVSFAVCK---AGLLKMCVDHEALLIEKS---TVEAIVLRRLEAQPFISRSLSIALLQLIRSILERTASQHHSDFHSFLRPLLLIVNGGDSCTRRREALETLTAFISHITKT-----DISGLSEVYRAVARIIRRETEEEESV-TIAAMKVLSSIGAVTPVKMRHVFRMVESDEMEEEEEVVTPALAHCKPRLRISTDMPERYPSTVLYYLVRSLQLALDPKQQVDTLVAVRTMLHDVEGKVKLNLLTQLLPQLQTWLRDPERAFLYETVLGLMNDLAILLCQFKESVAPSVGHELLRSVQAFCLLPQASQKPFSAYVVQLLDSLAKGI-PAQEMRDNRWAIEFIHQRLSQNKNDLDLVHRVVKSLESFIAVMHEKELQMILPHVLQCIEPAKASPGGKLSKSKDINDACFDFLNFVMAKQLTLVKHCCAQIVHTIMWYIELADSNEEMDVGLNTLATLVDTVKMPAKRFIMPIERVAVRNGFPPQYFVNLVQSAAGGAKIRMTTSNGTGLNPDRPITLVSHLPRLSQAEFEHEMRSTPRSENVLIDVLDVRHHQGQTMIDFRFHPGTDTAACCNLFSRKATDNKSAMRRNLGILRVEQTEESPRPVGADVIKALANLPVAKTKKREQSWVLWLHNATVTLLRNSPYAVLRDTCAVADRNTELAKDLFPFAVAAVCGHLETPLRAQLMDIFDRALAAAP-ADVKQGLFCFAEFMESERDDDRVKLVKVMRESVFSVDRESTSQKFGINYDQDPERGVIVTKLAPNGLGARAGVPIGAQLLAINDIPVRAVSDIRGLIEGLTHIELLLSYEVEEKTKSKPKPLMNLEVLASVAFSGEMHIKAIYFNEVLFESLSSKICKITDRKDSQMRRVMTIAEDLIQYYRHLNMTMTANGLLKTLTRKFSDEIFAPEQFGFEEIASLEQLNWWSEALRRYEARMASFGARYLEVASLVGVLRCEQALGHSSRVQELAEQYWEQLPVDAQREVAPFRAKAAFCLGAWDTFDALALDKRMQSCFGVVERCAALFRAECHDELLRYTDKVRESMLESFADSLNENYNRAYEGMTRLQHLRHFEELVSFTTACEERQALLKRVWHRRLVQMSSRPDDLMTVLSINSLVLEPEDDLHSYVYVIRCLCKSQWFSHAEHLLQRLLRENASLEV---LCECDPELIHTYIKYVYLAKDKHGAYVELKNILSAVEVDPED-----------PRAEMWGQCWLLLGEWTMYL---FPDCGEEAIKELMCATELGPNSAAAFHSLGILHCDLARDPSTQGEVQNN--------------HLICCINSLFKSIQLCNDVPGSLVMQDVLRILSVWFANSSIREINEAVHHGVQVVADHVWLNVVPQLIARIGIEARYARAILTDLLIRVGSQYSHALIYPLTVAEKSPDAVRRHMAERVIMGMRNIPENDRIVKEASLVSNEMVRIAILWTEKWHAAIQQAA---YKPNNTAAIFSMLQPLYAELDR-ASTPNELSFRCNFGQTLRRAKVALEEAKT-------EEAWGFLRQVYAQLRRGVLE-RRLYMSDVSPTLDGIQDSIVAVPGTFEHDKPLITILKFHSRVYVMPSKQKPRRIGLDASDGKKYRFLLKGHEDMRQDERVMQFIRLIDTIFQSDNAASAIGLSIPQYAVIPLTDNVGVVGWVENTETIYKMLETYRQAHEVSIYEEVNLIMKKGGLDTIEDYHRLPKQQRKALLNYAMENTPKNELRHIFWDHNDTCEQWLSYRQTYGQTLAAMSMVGYVLGLGDRHLNNLML-QGNGTVVHIDFGDCFEVAMHRALYAEAVPFRLTRLLVCALGITGVDGLYRMTCELAMKNLHRHSENLLSILEAFIYDPIINWRLNTVNDVTEKSGSKSAQQESSNGGTAALAGETAAAACLGVDDAAQAEAKPVAMQLSKSVSKLVPHSALPGESQMFENGEETRNQQGDLALARVQAKLTGQDFGVVNSSFSMMRSSRRLEAGGSQPQGSSWGSNSLAGFTDSPKDSFAAPLLTTYLSLRVLNGGAESLDVPHQVDRLIQEATSLDNLSDAFLTGWAPFW 5H64 Chain:A ((210-2549)) ---------------------------VAALRACLILTTQREPKEMQKPQWYRHTFEEAEKGFDETLAKEKGMNRD-------------DRIHGALLILNELVRISSMEGERLREEMEEITQQQLVHDKYCKDLMGFGTKPRHITPFTSFQAVQPQQSNALVGLLGYSSHQ-----------------------GLMGFGTSPSPAKSTLVESRCCRDLM------------------------EEKFDQVCQWVLKCRNSKNSLIQMTILNLLPRLAAFRPSAFTDTQYL-----------------------------------------------QDTMNHVLSCVKVLYDLSRQIPQLKKDIQDGLLKMLSLVLMHKPLRH---------------PGMPKGLAHQLASPGLTTLPEASDVGSITLALRTLGS-FEFEGHSLTQFVRHCADH-------------------FLNSEHKEIRMEAARTCSRL--------------LTPSIHLISGHAHVVSQTAVQVVADVLSKLLVVGITDPDPDIRYCVLASLDERFDAHLAQAENLQALFVALNDQVFEIRELAICTVGRLSSMNPAFVMPFLRK----MLIQILTELEHSGIGRIKEQSARMLGHLVSNAPRLIRPYMEPILKALILKLKDPDPDPNPGVINNVLATIGELAQVSGLEMRKWVDELFIIIMDMLQDSSLLAKRQVALWTLGQLVASTGYVVEPYRKYPTLLEVLLNFLKTEQNQGTRREAIRVLGLLGALDPYKHKVNIGMIDQSRDASAVSLSESKSSQDSSMLVNMGNL----PLDEFYPAVSMVALMRIFRDQSLSHHHTMVVQAITFIFKSLGLKCV-QFLPQVMPTFLNVIRVCDGAI----REFLFQQLGMLVSFVKSHIRPYM-DEIVTLMREFWVMNTSIQSTIILLIEQIVVALGGEFKLYLPQLIPHMLRVFMHD----NSPGRIVSIKLLAAIQLFGANL-DDYLHLLLPPIVK-LFDAPEAPLPSRKAALETVDRLTESLDFTDYA---------SRIIHPIVRTLD--QSPELRSTAMDTLSSLVFQLGKKYQIFIPMVNKVLVRHRINHQ----------------------------------------------------------RYDVLICRIVKGYTLM------------------KKLHVSTINLQKAWG---------------------------AARRVSKDDWLEWLRRLSLELLKDSSSPSLRSCWALAQAYNPMARDLFNAAFVSCWSELNEDQQDELIRSIELALTSQDIAEVTQTLLNLAEFMEHSD---------------------------------------------------------------------------KGPLPLRDDNGIVLLGERAAKCRA--------------------YAKALHYKELEFQKGPT----------------PAILESLISINNKLQQPEAAAGVLEYAMKHFGELEI--------QATWYEKLHEWEDALVAYDKKMDTNKD---DPELMLGRMRCLEALGEWGQLHQQCCEKWTLVNDETQAKMARMAAAAAWGLGQWDSMEEYTCMIPRDTHDGAFYRAVLALHQDLFSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYKLV-PERREIIRQIWWERLQGCQRIVEDWQKILMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLGVDPSRQLDHPLPTVHPQVTYAYMKNMWKSARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQGINESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDEKKKVTEDLSKTLLMYTVPAVQGFFRSISLSRGNN----LQDTLRVLTLWFDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPRPLVGRLIHQLLTDIGRYHPQALIYPLTVASKSTTTARHNAANKILKNM--CEHSNTLVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPNQPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMA-----PDYDHLTLMQKVEVFEHAVNNTAGDDLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTN--------------------------------------------------------------------------TALNKKAIQIINRVRDKLTGRDFS-----------------------------------------------------------HDDTLDVPTQVELLIKQATSHENLCQCYI-GWCPFW

General information: TITO was launched using: RESULT: Template: 5H64.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 : 10175 5747 0.56 2.81 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 0.56 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.350

(partial model without unconserved sides chains): PDB file : Tito_5H64.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5H64-query.scw PDB file : Tito_Scwrl_5H64.pdb: