Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESFLANVDSAHLKARLNKIMADVNAVTSDAAAAAVSAKSSEEAGQCVLEFVKFFVSVAEQHGTTPHAVLGQHVVSNVLIFVLERIVKPNLMTYCRVAEKHAAIAVAASGDTTSPARCRAAKLGSGAASAATGRRDALEARRRRLRRDIIRPFAQLFQSLHTSLAEEGEPLMTWATEGGGRTLGATRRAAALRSGGRHEELLGSASPSYAPPESSSAFGGSRRGEQRAGEWRGRDDVWGTGDSAHEDGLLISGASDALSQAPLLWKSASPLNILCNHILEVLESQWLVAAVGADYAALLIEVLRWSGYARLITPTYLVRLSECLVTLIQRVSTLEEADTDVLTVAPNLVAQAVADGRLWVAAPCADDACLYAQVLMRLCALPQITTAYPPSSSTATDAGMHGGGGAAAALAFVRRVIEVVKARHRAPTPDLRLEAYCIAALRRLCQRFRYDHPIAARAPVEVVKLLCDFFFLLHHTPRHDVWRLETMQFLTVVLSVALSDVVGEELWQDLHAHSRRAAADADAEAAMVSPDAREMVHKAKSSERVGLVGRRGTTGAATAANLLLQPPTRHLVVLIHQSVFPTMQLIFTQHRHEYSFTSRRELFSFPCSPLQEVFDFGAVALYVTSITHGAYCRWKAAQANRCGGSGTTRCGTVADQEKEGAEDDEDEEQIRRHGAGTEARRACKRLRDIEPGYGDVVDGVAMDKAADASGAARTPPPASPHPAQLLADTLQEEFFMPAGPLESSTTAGRAATAGHDVQQRPLQSAATLTRRRAGGAPLVLRIGTSSIRTSSAAVQDVVSDTALFLLHLFAQPCATLRVPETVADRLVEDVLLPLCGHFGLRLGQLLLAAVKAVIPRCSLATQQYAFAVVAQRTLPAVPPALARWAGCLDSVSSSRVPVTRNDEDVLAPPEPVYHVLVVLLEQHLHRRHELGLSTVTPDDPPRNGQSAGAAGSGQPDVSSGRLLSGFLLSWGDHHRALIQRGVARLHAFEQDMRRVCESAGATAVPAGVGGAHDAPLPLLAASLALLLTRFATLVQCTRLWEMTLCPSTAMPVDPGTTEAEPQRCRVVHDDHTWGLSDGPAEDVGLSFLCHVAANATLFLGSVPVLTRASDGGSHAGDVAGGGVRAARQASGIGTDALTATSASLETRNALTGADAVALFSAAQFTAWLDLAETYACVALRMCLARQQVAEQTEMATSLRLGQGPALGGVPSLSTSSGAMTPHLRGPLRREVGAYVEHVCTLLDAAVTSPSSQVPGVLRDAAEAHWMLRLPLRKGTDRTDVQDGSAAAEEGAAMGEDAKADTDAAALGTGVSPLQMTVPRRAALQAFQAMLASSAQASVAWLMRRAQLRHTLAALAPAAVSRREGNRRGGGGPPDTHTAVRPDLDASAMALALSVQCVQLLHLLLRWRRAALWSTPEESAHARDGVHAAGERGAVTPGVAKDAPFLRSAADGTHASAASERAEGAAADFDVGEEASAACEDLRLLRSSPDVYAAPLSLLERFSAAGGGRLYYAVLWLCHHIAAELDHAHAVGAFFPLWTALHVLFRDVGTVLLDPAFACADPRHTIARFTAALTARIFEDGVRGLSRWRPSNPTSREVTHIMAVSLHMSVDTLRTVLWAASRTRIGAYLAEPLADTSAICRTIVTMLRDQHLLDTAGADSCLTGDAARGSGESDAAAVGDILLPSHHRLLERLPFLPTILLALPPLLRLLALIGCLPPPPADSDTGAAGGFQCCRAVVQVLQVLFVRYRYQLGPGLCSGLLCGTVADIRWLDFRRHPATLRDAGERDSQGCSDAAAFLYAHEGRLLELWTAQLTDHSRVDMPVCTPAWQCALLQAAFAVLPRCEPAVAEVLGRFSFEFLAEKSPYEVRHHAALQVGTLFRTFSARRTQVLHTLLTKAREGMLSSTETLCSTSLLALSEAVRAAPELLVDVLYTLLECWATRGFRHHRLVVACLERMSASVLEGARLTAPAGGASLPRSLPYTHLCRMHARPLLFKWLCEYRHPHAALPVECFGYPTQTAFVVQHLDVLSPLALLLLTEATEEQWSLVATRGGGGRCDGASAEGSLYERLVSAYADTLVAKAAEESEHAAEALGAARRRRRTEASGSDATAKQDEATEAESQTDATAVSDAGALHRLAPLCMLLAYFPGIVTQLLVFASHAPVSPFAGDAGGLADLGKARNSREFADWPRRMGHADAAVEHRGSGGGHSSRASASDMTPTWASVAQRCLYWLEAQLNTAEATMLAQGVRLVLTGRRHVSGESPQPTFSAAAARAVLCHPATASSAAEVLLYYLQHRSAWPHKRRAFDVVLAAQADAVMEALIVLHRTTSEVGAPVYGTPEQLQRALSWVAEKITSVPLPMPGLRDPRTRHASSAEGRGSATAEVETTQGLVPRCTSSDLAHWEAYCLALLVPPAAAPNCELHSPVTDMPSARQSVDAAALTDDVMTRFLLQGNSTYLYALLHAVYRSSAALPSLELQFRALQQLSLLTHIATCWCSARVLTEPHALRLVLSHLLHWLRRSPAAAVRRLVCDALLHVWQVARAGRGNAPRHRGWGTTPATQRRHCRLMVARSLAPLTAVSPLISSTWAALCRIDPDLRRSAWQQRVLAYLADTESRRATRIGAETAAEGKERVLARGAISIDEPTDDEAERNEEGAASDGAPGASAGAGAAESEAVSGGCSLPLDGEQWTWSMYEAQRSACLAPLSNPRARGHLLGLQRLLRYVSGHDEEDSDEALEGVPGTVEEHGSNADMDELVPPESCAVSMQLIVEHTSAAPLPSAPLLQDITVAVDSAQALLVRCLHVASVCLRAGHAPPVAAGPTAHRRSRVRTGGSLRPAELSALDVRAVLLDTIQHLYRLCHCNMAALPTEYADAADQFRPLLPGYVAGEDVHGVHTTRLQMLSADSADEQLLAAFRLLRALALCVVLSGEAATLPHCAAAVSSAPSGMGSGSEWLRHEAQRSGSSASTLLAASESALTDDGLPSNQTAEGIVAGMLAQAYAHQLRTLEQLVWCGDADASELGMCALRAWVLCIASGPDGADGAEPPRPAEPPSCFDEAVAQLVASAWRQQLTGPSAAAAAGELVGASGGDQMPSPKARVCYCLQRRLSWVTRSGSCGSRSCRQRATFGTRGAAADTHLRSPSVWAPLRQCPPNQRAFLCRFVLAAANTYGMLKKSLLWAALVPLLMAELRTAEGPTAVPTSSAGSPACDLDGVHAACDSAGSDVRIAEQLLLPVLLHALCLRESEGQRVVRQEWSRQLDRYVFQQAERCAHTARLFLHVLEQCHAVLLRSTRQRGLKGATAASAGRAKATSSFSAAAAAAAAGDGARAEVAPWPSILGSVPSLQDMGECYWLSDIPAARLARAAVRVGEPHLALLFSQLSGESLYGPRTGAAALCGESETTLSAVMLRDGAGAGEAVLAMSSTPYSILFPFARPGDYPSAASVTHTVGAGATRSGGRARDRHDAVRRQTRSFAEDIFDLYASVQGQLELDDVVGVSLMMRLQSVTSAQPHGDGAKWCSWVGSGSALSASLLGSARGRSSGRAIRRVVGYRESGVTPTTSVASGADDSLAAAPSATAAWLDEMRLLEESETHHASGRLWGSDVPRASAAADSGLGGATVEVARPSVALTGEVQERRPDPWAAHLQRAALLLQHGFPSTALDVLLSLQPAERRWEAAERHRSDSGAAERGVADDSVRACSAPGRAAGRGTTELGPEVFLTGAAGETIDAAAGNTDMLSSWTPAHEASLQALLAEAAWKCGRWSCGGGVAGDCPGSCSSECVPRAVLDRLSLRGNTATPESCGASLMPASAGRFYVHLLSAFITLTNGQPLLSMQHVRRAESALRQQLSPTTFVTTVMAAEALHEVRDCAARFLAADAAARKGKAGKPSRGRGAAPKWKQGDRVVELPTWLRSLRGDSVARGSGLDAAELPTARVPSTVDYASRELLDSVRHALCQVYGDREGWYRFVLGATEQALLNRDAAAAHRWLRDWKEQHAEGTGGEGEQASPSPAIVGTAAAEVRERARQLDLVLRTAQVAYGLGRWQEALALLQPAAAAA-----------------RGEASLAHFNVAPPRTAPWHAPQEPRVIQQLMVWHGELRLLPPSQLVRDPFLSRAAASDSSGACSFLLARLCHTLADDIAARLTSHEHQQLCESVEESKRLKEDLEAQLEAATRPSTGRAAAPLHRPPGVAELDATTGATTTAVLPTLVNIAGVAPLREARGRSAVADAAAGAAAGAAPTVILSEDQLRVIRRRIRELAGDIKRLEDEWQ-SEKSNFGLYRRSAINAYSRFLQFNQVAQQGAARGVTERTHRGAAALSEVKCLPVDHEEDVVHAVFGFVELWVNAADMEQGGGEVLSKVLDKAVERIPTAVFVPLAGQLTAQLG--GQHEGERLAFLVARLA--RDYPMHVVWPLLALYHGHTFAKSRDVNTLHNVDEAKITAARQLLAGLASAQSTANASSRAGHSASTAALLSTQIRHAQLLSSAYLELAFDRSAATAQVGKRHAICKDFMLIKDACNLAIPPPSSVDPFVTPAVAGGAALAVPHVMRYRNYFTTPGGVNVPKVLQCELSDGTVVRQLLKAGDDLRQDALIEQVFATANRLFRRRSATRPLQIRTFTIVPLAPTAGILQWVEHTIPLGEYLTGRYTGKEEMPGAHERYFPGEPNTRECRIQLQNAPHSRKCQVLLSLYAQFTPALHYFFLEEYLSAQVWVDRQQTFTRSVAASSIVGYTVGLGDRHINNILLHKGTAEVVHIDLGIAFDQNKLLPVPELVPFRLTRNMIDGLGVRGTEGS-----LRPCAEAAMHLLRGKRELIRTILSSIMHDPLARWAIG-SPTHANHIMGADTSVTGAGAVPQESNTRQPAPVRTHGSSADAARTLARIDAKLRGYDGGDMLSVPTHVRKLMEDAQRVESLAVMFPGWSQWV 1E8X Chain:A ((1-951)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AASEETLAFQRQLNALIGY--DVTDVSNVHDDELEFTRRRLVTPRMAEVAGRDPKLYAMHPWVTSKPLP---EYLLKKITNNCVFIVIHRSTTSQTIKVSADDTPGTILQSFFTKMANERDFVLRVCGRDEYLVGETPIKNFQWVRQCLKNGEEIHLVLDTPPDPALDEVRKECDRKFRVKIRGIDIPVLPRTADLTVFVEANIQYG-----QQVLCQRRTSP--KPFTEEVLWNVWLEFSIKIKDLPKGALLNLQIYCQ-------LLYYVNLLLIDHRFLLRHGEYVLHMWQLSGFNADKLTSATNPDKENSMSISILLDNHPIALEMPNQLRKQLEAIIATDPLNPLTAEDKELLWHFRYESLKDPKAYPKLFSSVKWGQQEIVAKTYQLLAKREVWDQSALDVGLTMQLLDCNFSD------ENVRAIAVQKLESLEDDDVLHYLLQLVQAVKFEPYHDSALARFLLKRGLRNKRIGHFLFWFLRSEIAQ---------------SRHYQQRFAVILEAYLRG-----------CGTAMLHDFTQQVQVIDMLQKVTIDIKSLSAEKYDVSSQVISQLKQKLENLQNLNLPQSFRVPYDPGLKAGALVIEKCKVMASKKKPLWLEFKCADPTAL-------SNETIGIIFKHGDDLRQDMLILQILRIMESIWETES--LDLCLLPYGCISTGDKIGMIEIVKDATTIAKIQQSTVGNTGAFK---------------------------------------DEVLSHWLKEKCPIEEKFQAAVERFVYSCAGYCVATFVLGIGDRHNDNIMISE-TGNLFHIDFG-------------HVPFVLTPDFLFVMGTSGKKTSLHFQKFQDVCVKAYLALRHHTNLLIILFSMMLMTGMPQLTSKEDIEYIRDALTVGKSEEDAKKYFLDQIEVCRDKGWTVQFNWFLHLVL----------------------------------------------

General information: TITO was launched using: RESULT: Template: 1E8X.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 : 4258 -2507 -0.59 -3.08 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -0.59 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.199

(partial model without unconserved sides chains): PDB file : Tito_1E8X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1E8X-query.scw PDB file : Tito_Scwrl_1E8X.pdb: