Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESFLANVDSAHLKARLNKIMADVNAVTSDAAAAAVSAKSSEEAGQCVLEFVKFFVSVAEQHGTTPHAVLGQHVVSNVLIFVLERIVKPNLMTYCRVAEKHAAIAVAASGDTTSPARCRAAKLGSGAASAATGRRDALEARRRRLRRDIIRPFAQLFQSLHTSLAEEGEPLMTWATEGGGRTLGATRRAAALRSGGRHEELLGSASPSYAPPESSSAFGGSRRGEQRAGEWRGRDDVWGTGDSAHEDGLLISGASDALSQAPLLWKSASPLNILCNHILEVLESQWLVAAVGADYAALLIEVLRWSGYARLITPTYLVRLSECLVTLIQRVSTLEEADTDVLTVAPNLVAQAVADGRLWVAAPCADDACLYAQVLMRLCALPQITTAYPPSSSTATDAGMHGGGGAAAALAFVRRVIEVVKARHRAPTPDLRLEAYCIAALRRLCQRFRYDHPIAARAPVEVVKLLCDFFFLLHHTPRHDVWRLETMQFLTVVLSVALSDVVGEELWQDLHAHSRRAAADADAEAAMVSPDAREMVHKAKSSERVGLVGRRGTTGAATAANLLLQPPTRHLVVLIHQSVFPTMQLIFTQHRHEYSFTSRRELFSFPCSPLQEVFDFGAVALYVTSITHGAYCRWKAAQANRCGGSGTTRCGTVADQEKEGAEDDEDEEQIRRHGAGTEARRACKRLRDIEPGYGDVVDGVAMDKAADASGAARTPPPASPHPAQLLADTLQEEFFMPAGPLESSTTAGRAATAGHDVQQRPLQSAATLTRRRAGGAPLVLRIGTSSIRTSSAAVQDVVSDTALFLLHLFAQPCATLRVPETVADRLVEDVLLPLCGHFGLRLGQLLLAAVKAVIPRCSLATQQYAFAVVAQRTLPAVPPALARWAGCLDSVSSSRVPVTRNDEDVLAPPEPVYHVLVVLLEQHLHRRHELGLSTVTPDDPPRNGQSAGAAGSGQPDVSSGRLLSGFLLSWGDHHRALIQRGVARLHAFEQDMRRVCESAGATAVPAGVGGAHDAPLPLLAASLALLLTRFATLVQCTRLWEMTLCPSTAMPVDPGTTEAEPQRCRVVHDDHTWGLSDGPAEDVGLSFLCHVAANATLFLGSVPVLTRASDGGSHAGDVAGGGVRAARQASGIGTDALTATSASLETRNALTGADAVALFSAAQFTAWLDLAETYACVALRMCLARQQVAEQTEMATSLRLGQGPALGGVPSLSTSSGAMTPHLRGPLRREVGAYVEHVCTLLDAAVTSPSSQVPGVLRDAAEAHWMLRLPLRKGTDRTDVQDGSAAAEEGAAMGEDAKADTDAAALGTGVSPLQMTVPRRAALQAFQAMLASSAQASVAWLMRRAQLRHTLAALAPAAVSRREGNRRGGGGPPDTHTAVRPDLDASAMALALSVQCVQLLHLLLRWRRAALWSTPEESAHARDGVHAAGERGAVTPGVAKDAPFLRSAADGTHASAASERAEGAAADFDVGEEASAACEDLRLLRSSPDVYAAPLSLLERFSAAGGGRLYYAVLWLCHHIAAELDHAHAVGAFFPLWTALHVLFRDVGTVLLDPAFACADPRHTIARFTAALTARIFEDGVRGLSRWRPSNPTSREVTHIMAVSLHMSVDTLRTVLWAASRTRIGAYLAEPLADTSAICRTIVTMLRDQHLLDTAGADSCLTGDAARGSGESDAAAVGDILLPSHHRLLERLPFLPTILLALPPLLRLLALIGCLPPPPADSDTGAAGGFQCCRAVVQVLQVLFVRYRYQLGPGLCSGLLCGTVADIRWLDFRRHPATLRDAGERDSQGCSDAAAFLYAHEGRLLELWTAQLTDHSRVDMPVCTPAWQCALLQAAFAVLPRCEPAVAEVLGRFSFEFLAEKSPYEVRHHAALQVGTLFRTFSARRTQVLHTLLTKAREGMLSSTETLCSTSLLALSEAVRAAPELLVDVLYTLLECWATRGFRHHRLVVACLERMSASVLEGARLTAPAGGASLPRSLPYTHLCRMHARPLLFKWLCEYRHPHAALPVECFGYPTQTAFVVQHLDVLSPLALLLLTEATEEQWSLVATRGGGGRCDGASAEGSLYERLVSAYADTLVAKAAEESEHAAEALGAARRRRRTEASGSDATAKQDEATEAESQTDATAVSDAGALHRLAPLCMLLAYFPGIVTQLLVFASHAPVSPFAGDAGGLADLGKARNSREFADWPRRMGHADAAVEHRGSGGGHSSRASASDMTPTWASVAQRCLYWLEAQLNTAEATMLAQGVRLVLTGRRHVSGESPQPTFSAAAARAVLCHPATASSAAEVLLYYLQHRSAWPHKRRAFDVVLAAQADAVMEALIVLHRTTSEVGAPVYGTPEQLQRALSWVAEKITSVPLPMPGLRDPRTRHASSAEGRGSATAEVETTQGLVPRCTSSDLAHWEAYCLALLVPPAAAPNCELHSPVTDMPSARQSVDAAALTDDVMTRFLLQGNSTYLYALLHAVYRSSAALPSLELQFRALQQLSLLTHIATCWCSARVLTEPHALRLVLSHLLHWLRRSPAAAVRRLVCDALLHVWQVARAGRGNAPRHRGWGTTPATQRRHCRLMVARSLAPLTAVSPLISSTWAALCRIDPDLRRSAWQQRVLAYLADTESRRATRIGAETAAEGKERVLARGAISIDEPTDDEAERNEEGAASDGAPGASAGAGAAESEAVSGGCSLPLDGEQWTWSMYEAQRSACLAPLSNPRARGHLLGLQRLLRYVSGHDEEDSDEALEGVPGTVEEHGSNADMDELVPPESCAVSMQLIVEHTSAAPLPSAPLLQDITVAVDSAQALLVRCLHVASVCLRAGHAPPVAAGPTAHRRSRVRTGGSLRPAELSALDVRAVLLDTIQHLYRLCHCNMAALPTEYADAADQFRPLLPGYVAGEDVHGVHTTRLQMLSADSADEQLLAAFRLLRALALCVVLSGEAATLPHCAAAVSSAPSGMGSGSEWLRHEAQRSGSSASTLLAASESALTDDGLPSNQTAEGIVAGMLAQAYAHQLRTLEQLVWCGDADASELGMCALRAWVLCIASGPDGADGAEPPRPAEPPSCFDEAVAQLVASAWRQQLTGPSAAAAAGELVGASGGDQMPSPKARVCYCLQRRLSWVTRSGSCGSRSCRQRATFGTRGAAADTHLRSPSVWAPLRQCPPNQRAFLCRFVLAAANTYGMLKKSLLWAALVPLLMAELRTAEGPTAVPTSSAGSPACDLDGVHAACDSAGSDVRIAEQLLLPVLLHALCLRESEGQRVVRQEWSRQLDRYVFQQAERCAHTARLFLHVLEQCHAVLLRSTRQRGLKGATAASAGRAKATSSFSAAAAAAAAGDGARAEVAPWPSILGSVPSLQDMGECYWLSDIPAARLARAAVRVGEPHLALLFSQLSGESLYGPRTGAAALCGESETTLSAVMLRDGAGAGEAVLAMSSTPYSILFPFARPGDYPSAASVTHTVGAGATRSGGRARDRHDAVRRQTRSFAEDIFDLYASVQGQLELDDVVGVSLMMRLQSVTSAQPHGDGAKWCSWVGSGSALSASLLGSARGRSSGRAIRRVVGYRESGVTPTTSVASGADDSLAAAPSATAAWLDEMRLLEESETHHASGRLWGSDVPRASAAADSGLGGATVEVARPSVALTGEVQERRPDPWAAHLQRAALLLQHGFPSTALDVLLSLQPAERRWEAAERHRSDSGAAERGVADDSVRACSAPGRAAGRGTTELGPEVFLTGAAGETIDAAAGNTDMLSSWTPAHEASLQALLAEAAWKCGRWSCGGGVAGDCPGSCSSECVPRAVLDRLSLRGNTATPESCGASLMPASAGRFYVHLLSAFITLTNGQPLLSMQHVRRAESALRQQLSPTTFVTTVMAAEALHEVRDCAARFLAADAAARKGKAGKPSRGRGAAPKWKQGDRVVELPTWLRSLRGDSVARGSGLDAAELPTARVPSTVDYASRELLDSVRHALCQVYGDREGWYRFVLGATEQALLNRDAAAAHRWLRDWKEQHAEGTGGEGEQASPSPAIVGTAAAEVRERARQLDLVLRTAQVAYGLGRWQEALALLQPAAAAARGEASLAHFNVAPPRTAPWHAPQEPRVIQQLMVWHGELRLLPPSQLVRDPFLSRAAASDSSGACSFLLARLCHTLADDIAARLTSHEHQQLCESVEESKRLKEDLEAQLEAATRPSTGRAAAPLHRPPGVAELDATTGATTTAVLPTLVNIAGVAPLREARGRSAVADAAAGAAAGAAPTVILSEDQLRVIRRRIRELAGDIKRLEDEWQSEKSNFGLYRRSAINAYSRFLQFNQVAQQGAARGVTERTHRGAAALSEVKCLPVDHEEDVVHAVFGFVELWVNAADMEQ--GGG-----EVLSKVLDKAVERIPTAVFVPLAGQLTAQLGGQHEG-ERLAFLVARLARDYP---MHVVWPLLALYHGHTFAKSRDVNTLHNVDEAKITAARQLLAGLASAQSTANASSRAGHSASTAALLSTQIRHAQLLSSAYLELAFDRSAATAQVGKRHAICKDFML-IKDACNLAIPPPSSVDPFVTPAVAGGAALAVPHVMRY-RNYFTTPGGVNVPKVLQCEL---SDGTVVRQLLKAGDDLRQDALIEQVFATANRLFRRRSATRPLQIRTFTIVPLAPTAGILQWVEHTIPLGEYLTGRYTGKEEMPGAHERYFPGEPNTRECRIQLQNAPHSRKCQVLLSLYAQFTPALHYFFLEEYLSAQVWVDRQQTFTRSVAASSIVGYTVGLGDRHINNILLHKGTAEVVHIDLGIAFDQNKLLPVPELVPFRLTRNMIDGLGVRGTE-----GSLRPCAEAAMHLLRGKRELIRTILSSIMHDPLARWAIGSPTHANHIMGADTSVTGAGAVPQESNTRQPAPVRTHGSSADAARTLARIDAKLRGYDGGDMLSVPTHVRKLMEDAQRVESLAVMFPGWSQWV 5VLR Chain:A ((546-976)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AQMLYLLCSWPELPVLSALELLDFSFPDCHVGSFAIKSLRKLTDDELFQYLLQLVQVLKYESYLDCELTKFLLDRALANRKIGHFLFWHLRSEMHVPSVA----------------LRFGLILEAYCRGS---------------THHMKVLMKQG-EALSKLKALNDF-VKLSSQKTPKPQTKELMHLCMRQEAYLEAL-SHL-QSPLDPSTLLA---------EVCVEQCTFMDSKMKPLWIMYSNEEA----SVGIIFKNGDDLRQDMLTLQMIQLMDVLWKQE--GLDLRMTPYGCLPTGDRTGLIEVVLRSDTIANIQLN----------------------------------------FN------KDALLNWLKSKNPG-EALDRAIEEFTLSCAGYCVATYVLGIGDRHSDNIMIRE-SGQLFHIDFGHFLGNF---INRERVPFILTYDFVHVIQQGKTNNSEKFERFRGYCERAYTILRRHGLLFLHLFALMRAAGLPELSCS--------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5VLR.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 : 1729 -47936 -27.72 -122.28 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -27.72 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.358

(partial model without unconserved sides chains): PDB file : Tito_5VLR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VLR-query.scw PDB file : Tito_Scwrl_5VLR.pdb: