Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESFLANVDSAHLKARLNKIMADVNAVTSDAAAAAVSAKSSEEAGQCVLEFVKFFVSVAEQHGTTPHAVLGQHVVSNVLIFVLERIVKPNLMTYCRVAEKHAAIAVAASGDTTSPARCRAAKLGSGAASAATGRRDALEARRRRLRRDIIRPFAQLFQSLHTSLAEEGEPLMTWATEGGGRTLGATRRAAALRSGGRHEELLGSASPSYAPPESSSAFGGSRRGEQRAGEWRGRDDVWGTGDSAHEDGLLISGASDALSQAPLLWKSASPLNILCNHILEVLESQWLVAAVGADYAALLIEVLRWSGYARLITPTYLVRLSECLVTLIQRVSTLEEADTDVLTVAPNLVAQAVADGRLWVAAPCADDACLYAQVLMRLCALPQITTAYPPSSSTATDAGMHGGGGAAAALAFVRRVIEVVKARHRAPTPDLRLEAYCIAALRRLCQRFRYDHPIAARAPVEVVKLLCDFFFLLHHTPRHDVWRLETMQFLTVVLSVALSDVVGEELWQDLHAHSRRAAADADAEAAMVSPDAREMVHKAKSSERVGLVGRRGTTGAATAANLLLQPPTRHLVVLIHQSVFPTMQLIFTQHRHEYSFTSRRELFSFPCSPLQEVFDFGAVALYVTSITHGAYCRWKAAQANRCGGSGTTRCGTVADQEKEGAEDDEDEEQIRRHGAGTEARRACKRLRDIEPGYGDVVDGVAMDKAADASGAARTPPPASPHPAQLLADTLQEEFFMPAGPLESSTTAGRAATAGHDVQQRPLQSAATLTRRRAGGAPLVLRIGTSSIRTSSAAVQDVVSDTALFLLHLFAQPCATLRVPETVADRLVEDVLLPLCGHFGLRLGQLLLAAVKAVIPRCSLATQQYAFAVVAQRTLPAVPPALARWAGCLDSVSSSRVPVTRNDEDVLAPPEPVYHVLVVLLEQHLHRRHELGLSTVTPDDPPRNGQSAGAAGSGQPDVSSGRLLSGFLLSWGDHHRALIQRGVARLHAFEQDMRRVCESAGATAVPAGVGGAHDAPLPLLAASLALLLTRFATLVQCTRLWEMTLCPSTAMPVDPGTTEAEPQRCRVVHDDHTWGLSDGPAEDVGLSFLCHVAANATLFLGSVPVLTRASDGGSHAGDVAGGGVRAARQASGIGTDALTATSASLETRNALTGADAVALFSAAQFTAWLDLAETYACVALRMCLARQQVAEQTEMATSLRLGQGPALGGVPSLSTSSGAMTPHLRGPLRREVGAYVEHVCTLLDAAVTSPSSQVPGVLRDAAEAHWMLRLPLRKGTDRTDVQDGSAAAEEGAAMGEDAKADTDAAALGTGVSPLQMTVPRRAALQAFQAMLASSAQASVAWLMRRAQLRHTLAALAPAAVSRREGNRRGGGGPPDTHTAVRPDLDASAMALALSVQCVQLLHLLLRWRRAALWSTPEESAHARDGVHAAGERGAVTPGVAKDAPFLRSAADGTHASAASERAEGAAADFDVGEEASAACEDLRLLRSSPDVYAAPLSLLERFSAAGGGRLYYAVLWLCHHIAAELDHAHAVGAFFPLWTALHVLFRDVGTVLLDPAFACADPRHTIARFTAALTARIFEDGVRGLSRWRPSNPTSREVTHIMAVSLHMSVDTLRTVLWAASRTRIGAYLAEPLADTSAICRTIVTMLRDQHLLDTAGADSCLTGDAARGSGESDAAAVGDILLPSHHRLLERLPFLPTILLALPPLLRLLALIGCLPPPPADSDTGAAGGFQCCRAVVQVLQVLFVRYRYQLGPGLCSGLLCGTVADIRWLDFRRHPATLRDAGERDSQGCSDAAAFLYAHEGRLLELWTAQLTDHSRVDMPVCTPAWQCALLQAAFAVLPRCEPAVAEVLGRFSFEFLAEKSPYEVRHHAALQVGTLFRTFSARRTQVLHTLLTKAREGMLSSTETLCSTSLLALSEAVRAAPELLVDVLYTLLECWATRGFRHHRLVVACLERMSASVLEGARLTAPAGGASLPRSLPYTHLCRMHARPLLFKWLCEYRHPHAALPVECFGYPTQTAFVVQHLDVLSPLALLLLTEATEEQWSLVATRGGGGRCDGASAEGSLYERLVSAYADTLVAKAAEESEHAAEALGAARRRRRTEASGSDATAKQDEATEAESQTDATAVSDAGALHRLAPLCMLLAYFPGIVTQLLVFASHAPVSPFAGDAGGLADLGKARNSREFADWPRRMGHADAAVEHRGSGGGHSSRASASDMTPTWASVAQRCLYWLEAQLNTAEATMLAQGVRLVLTGRRHVSGESPQPTFSAAAARAVLCHPATASSAAEVLLYYLQHRSAWPHKRRAFDVVLAAQADAVMEALIVLHRTTSEVGAPVYGTPEQLQRALSWVAEKITSVPLPMPGLRDPRTRHASSAEGRGSATAEVETTQGLVPRCTSSDLAHWEAYCLALLVPPAAAPNCELHSPVTDMPSARQSVDAAALTDDVMTRFLLQGNSTYLYALLHAVYRSSAALPSLELQFRALQQLSLLTHIATCWCSARVLTEPHALRLVLSHLLHWLRRSPAAAVRRLVCDALLHVWQVARAGRGNAPRHRGWGTTPATQRRHCRLMVARSLAPLTAVSPLISSTWAALCRIDPDLRRSAWQQRVLAYLADTESRRATRIGAETAAEGKERVLARGAISIDEPTDDEAERNEEGAASDGAPGASAGAGAAESEAVSGGCSLPLDGEQWTWSMYEAQRSACLAPLSNPRARGHLLGLQRLLRYVSGHDEEDSDEALEGVPGTVEEHGSNADMDELVPPESCAVSMQLIVEHTSAAPLPSAPLLQDITVAVDSAQALLVRCLHVASVCLRAGHAPPVAAGPTAHRRSRVRTGGSLRPAELSALDVRAVLLDTIQHLYRLCHCNMAALPTEYADAADQFRPLLPGYVAGED-------VHGVHTTRLQMLSADSADEQLLAAFRLLRALALCVVLSGEAATLPHCAAAVSSAPSGMGSGSEWLRHEAQRSGSSASTLLAASESALTDDGLPSNQTAEGIVAGMLAQAYAHQL--RTLEQLVWCGDADASELGMCALRAWVLCIASGPDGADGAEPPRPAEPPSCFDEAVAQLVASAWRQQLTGPSAAAAAGELVGASGGDQMPSPKARVCYCLQRRLSWVTRSGSCGSRSCRQRATFGTRGAAADTHLRSPSVWAPLRQCPPNQRAFLCRFVLAAANTYGMLKKSLLWAALVP----LLMAELRTAEGPTAVPTSSAGSPACDLDGVHAACDSAGSDVRIAEQLLLPVLLHALCLRESEGQRVVRQEWSRQLDRYVFQQAERCAHTARLFLHVLEQCHAVLLRSTRQRGLKGATAASAGRAKATSSFSAAAAAAAAGDGARAEVAP-----WPSILGSVPSLQDMGECYWLSDIPAARLARAA--VRVGEPHLALLFSQLSGESLYGPRTGAAALCGESETTLSAVM--LRDGAGAGEAVLAMSSTPYSILFPFARPGDYPSAASVTHTVGAGATRSGGRARDRHDAVRRQTRSFAEDIFDLYASVQGQLELDDVVGVSLMMRLQSVTSAQPHGDGAKWCSWVGSGSALSASLLGSARGRSSGRAIRRVVGYRESGVTPTTSVASGADDSLAAAPSATAAWLDEMRLLEESETHHASGRLWGSDVPRASAAADSGLGGATVEVARPSVALTGEVQERRPDPWAAHLQRAALLLQHGFPSTALD--VLLSLQPAERRWEAAERHRSDSGAAERGVADDS----------------VRACSAPGRAAGRGTTELGPEVFLTGAAGETIDAAAGNTDMLSSWTPAHEASLQALLAEAAWKCGRWSCGGGVAGDCPGSCS--SECVPRAVLDRLSL---RGNTATPESCGASLMPASAGRFYVHLLSAFITLTNGQPLLSMQHVRRAESALRQQLSPTTFVTTVMAAEALHEVRDC---------AARFLAADAAARKGKAGKPSRGRGAAPKWKQGDRVVELPTWLRSLRGDSVARGSGLDAAELPTARVPSTVDYASRELLDSVRHALCQVYGDREGWYRFVLGATEQALLNRDAAAAHRWLRD-WKEQHAEGTGGEGEQASPSPAIVGTAAAEVRERARQLDLVLRTAQVAYGLGRWQEAL-ALLQPAAAAARGEASLAHFNVAPPRTAPWHAPQEPRVIQQLMVWHGELRLLP-PSQLVRDPFLSRAAASDSSGACSFLLARLCHTLADDIAARLTSHEHQQLCESVEESKRLKEDLEAQLEAATRPSTGRAAAPLHRPPGVAELDATTGATTTAVLPTLVNIAGVAPLREARGRSAVAD---AAAGAAAGAAPTVILSEDQLRVIRRRIRELAGDIKRLEDEWQSEKSNFGLYRRSAINAYSRFLQFNQV---------AQQGAARGVTERTHRGAAALSEVKCLPVDHEEDVVHAVFGFVELWVNAADMEQGGGEVLSKVLDKAVERIPTAVFVPLAGQLTAQLGGQHEGERLAFLVARLARD----YPMHVVWPLLALYHGHTFAKSRDVNTLHN---------VDEAKITAARQLLA----------GLASAQSTANAS-SRAGHSASTAALLSTQIRHAQLLSSAYLELAFDRSAATAQVGKRHAIC-----------KDFMLIKDACNLAIPPPSSVD-PFVTPAVA--GGAALAVP----------HVMRYRNYFTTPGGVNVPKVLQCELSDGTVVRQLLKAGDDLRQDALIEQVFATANRLFRR--RSATRPLQIRTFTIVPLAPTAGILQWVEHTIPLGEYLTGRYTGKEEMPGAHERYFPGEPNTRECRIQLQNAPHSRKCQVLLSLYAQFT-PALHYFFLEEYLSAQVWVDRQQTFTRSVAASSIVGYTVGLGDRHINNILLHKGTAEVVHIDLGIAFDQNKL-LPVPELVPFRLTRNMIDGLGVRGTEGSLRPCAEAAMHLLRGKRELIRTILSSIMHDPLARWAIGSPTHANHIMGADTSVTGAGAVPQESNTRQPAPVRTHGSSADAARTLARIDAKLRGYD--GGDMLSVPTHVRKLMEDAQRVESLAVMFPGWSQWV 5H64 Chain:A ((210-2549)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VAALRACLILTTQREPK-----EMQKPQWYRHTFEEAEKGFDETLAKEKGMNRDDRIHGALLILNELVRISSMEGE-----RLREEMEEITQQQLVHDKYCKDLMGFGTKPRHITPFTSFQAVQPQQSNALVGLLGYSSHQGLMGFGTSPSPAKSTLVESRCCRDLMEEKFDQVCQWVLKCRNSKNSLIQMTIL---------------NLLPRLAAFRPSAFTDT--QYLQDTMNHVLSCVKVLYDLSRQIPQLKKDIQDGLLKMLSLVLMH---KPLRHPGMPKGLAHQLASPGLTTLPEASDVGSITLALRTLGSFEFEGHSLTQFVRHCADHFLNSEHKEIRMEAARTCSRLLTPSIHLISGHAHVVSQTAVQVVADV--LSKLLVVGITDPDPDIRYCVLASLDE-RFDAHLAQAENLQALFVALNDQVFEIRELAICTVGRLSSMNPAFVMPFLRKMLIQILTELEHSGIGRIKEQSARMLGHLVSNAPRLIRPYMEPILKALILKLKDPDPDPNPGVINNVLATIGELAQVSGLEMRKWVDELFIIIMDMLQDSSLLAKRQVALWTLGQLVASTGYVVEPYRKYPTLLEVLLNFLKTEQNQGTRREAIRVLGLLGALDPYKHKVNIGMIDQSRDASAVSLSESKSSQDSSMLVNMGNLPLDEFYPAVSMVALMRIFRDQSLSHHHTMV-----VQAITFIFKSLGLKCVQFLPQVMPTFLNVIRVCDGAIREFLFQQLGMLVSFVKSHIRPYMDEIVTLMREFWVMNTSI--QSTIILLIEQIVVALGGE-FKLYLPQL-IPHMLRVFMHDNSPGRIVSIKLLAAIQLFGANLDDYLHLLLPPIVKLFDAPEAPLPSRKAALETVDRLTESLDFTDYASRIIHPIVRTLDQSPELRSTAMDTLSSLVFQLGKKYQIFIPMVNKVLVRHRINHQRYDVLICRIVKGYTLMKKLHVSTINLQKAWGAARRVSKDDWLEWLRRLSLELLKDSSSPSLRSCWALAQAYNPMARDLFNAAFVSCWSELNEDQQDELIRSIELALTSQDIAEVTQTLLNLAEFMEHSDKGPLPLRDDNGIVLLGERAAKCRAYAKALHYKELEFQKGPTPAILESLISINNKLQQPEAAAGVLEYAMKHFGELEIQATWYEKLHEWEDALVAYDKKMDTNKDDPELMLGRMRCLEALGEWGQLHQQCCEKWTLVNDETQAKMARMAAAAAWGLGQW-DSMEEYTCMIPRDTHDGAFYRAVLALHQDLFSLAQQCIDKARDLLDAELTAMAGESYSRAYGAMVSCHMLSELEEVIQYKLVPERREIIRQIWWERLQGCQRIVEDWQKILMVRSLVVSPHEDMRTWLKYASLCGKSGRLALAHKTLVLLLGVDPSRQLDHPLPTVHPQVTYAYMKNMWKSARKIDAFQHMQHFVQTMQQQAQHAIATEDQQHKQELHKLMARCFLKLGEWQLNLQGINESTIPKVLQYYSAATEHDRSWYKAWHAWAVMNFEAVLHYKHQNQARDEKKKVTEDLSKTLLMYTVPAVQGFFRSISLS---RGNNLQDTLRVLTLW-----FDYGHWPDVNEALVEGVKAIQIDTWLQVIPQLIARIDTPR--PLVGRLIHQLLTDIGRYHPQALIYPLTVASKSTTTARHNAANKILKNMCEHSNTLVQQAMMVSEELIRVAILWHEMWHEGLEEASRLYFGERNVKGMFEVLEPLHAMMERGPQTLKETSFNQAYGRDLMEAQEWCRKYMKSGNVKDLTQAWDLYYHVFRRISKQLPQLTSLELQYVSPKLLMCRDLELAVPGTYDPNQPIIRIQSIAPSLQVITSKQRPRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTLHALIRDYREKKKILLNIEHRIMLRMAPD------YDHLTLMQKVEVFEHAVNNTAGDDLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKFPEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNW---------RLMDTNTAL-----------------------NKKAIQIINRVRDKLTGRDFSHDDTLDVPTQVELLIKQATSHENLCQCYIGWCPFW

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 : 9605 31134 3.24 15.74 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 3.24 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.57 QMean score : ?

(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: