Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESFLANVDSAHLKARLNKIMADVNAVTSDAAAAAVSAKSSEEAGQCVLEFVKFFVSVAEQHGTTPHAVLGQHVVSNVLIFVLERIVKPNLMTYCRVAEKHAAIAVAASGDTTSPARCRAAKLGSGAASAATGRRDALEARRRRLRRDIIRPFAQLFQSLHTSLAEEGEPLMTWATEGGGRTLGATRRAAALRSGGRHEELLGSASPSYAPPESSSAFGGSRRGEQRAGEWRGRDDVWGTGDSAHEDGLLISGASDALSQAPLLWKSASPLNILCNHILEVLESQWLVAAVGADYAALLIEVLRWSGYARLITPTYLVRLSECLVTLIQRVSTLEEADTDVLTVAPNLVAQAVADGRLWVAAPCADDACLYAQVLMRLCALPQITTAYPPSSSTATDAGMHGGGGAAAALAFVRRVIEVVKARHRAPTPDLRLEAYCIAALRRLCQRFRYDHPIAARAPVEVVKLLCDFFFLLHHTPRHDVWRLETMQFLTVVLSVALSDVVGEELWQDLHAHSRRAAADADAEAAMVSPDAREMVHKAKSSERVGLVGRRGTTGAATAANLLLQPPTRHLVVLIHQSVFPTMQLIFTQHRHEYSFTSRRELFSFPCSPLQEVFDFGAVALYVTSITHGAYCRWKAAQANRCGGSGTTRCGTVADQEKEGAEDDEDEEQIRRHGAGTEARRACKRLRDIEPGYGDVVDGVAMDKAADASGAARTPPPASPHPAQLLADTLQEEFFMPAGPLESSTTAGRAATAGHDVQQRPLQSAATLTRRRAGGAPLVLRIGTSSIRTSSAAVQDVVSDTALFLLHLFAQPCATLRVPETVADRLVEDVLLPLCGHFGLRLGQLLLAAVKAVIPRCSLATQQYAFAVVAQRTLPAVPPALARWAGCLDSVSSSRVPVTRNDEDVLAPPEPVYHVLVVLLEQHLHRRHELGLSTVTPDDPPRNGQSAGAAGSGQPDVSSGRLLSGFLLSWGDHHRALIQRGVARLHAFEQDMRRVCESAGATAVPAGVGGAHDAPLPLLAASLALLLTRFATLVQCTRLWEMTLCPSTAMPVDPGTTEAEPQRCRVVHDDHTWGLSDGPAEDVGLSFLCHVAANATLFLGSVPVLTRASDGGSHAGDVAGGGVRAARQASGIGTDALTATSASLETRNALTGADAVALFSAAQFTAWLDLAETYACVALRMCLARQQVAEQTEMATSLRLGQGPALGGVPSLSTSSGAMTPHLRGPLRREVGAYVEHVCTLLDAAVTSPSSQVPGVLRDAAEAHWMLRLPLRKGTDRTDVQDGSAAAEEGAAMGEDAKADTDAAALGTGVSPLQMTVPRRAALQAFQAMLASSAQASVAWLMRRAQLRHTLAALAPAAVSRREGNRRGGGGPPDTHTAVRPDLDASAMALALSVQCVQLLHLLLRWRRAALWSTPEESAHARDGVHAAGERGAVTPGVAKDAPFLRSAADGTHASAASERAEGAAADFDVGEEASAACEDLRLLRSSPDVYAAPLSLLERFSAAGGGRLYYAVLWLCHHIAAELDHAHAVGAFFPLWTALHVLFRDVGTVLLDPAFACADPRHTIARFTAALTARIFEDGVRGLSRWRPSNPTSREVTHIMAVSLHMSVDTLRTVLWAASRTRIGAYLAEPLADTSAICRTIVTMLRDQHLLDTAGADSCLTGDAARGSGESDAAAVGDILLPSHHRLLERLPFLPTILLALPPLLRLLALIGCLPPPPADSDTGAAGGFQCCRAVVQVLQVLFVRYRYQLGPGLCSGLLCGTVADIRWLDFRRHPATLRDAGERDSQGCSDAAAFLYAHEGRLLELWTAQLTDHSRVDMPVCTPAWQCALLQAAFAVLPRCEPAVAEVLGRFSFEFLAEKSPYEVRHHAALQVGTLFRTFSARRTQVLHTLLTKAREGMLSSTETLCSTSLLALSEAVRAAPELLVDVLYTLLECWATRGFRHHRLVVACLERMSASVLEGARLTAPAGGASLPRSLPYTHLCRMHARPLLFKWLCEYRHPHAALPVECFGYPTQTAFVVQHLDVLSPLALLLLTEATEEQWSLVATRGGGGRCDGASAEGSLYERLVSAYADTLVAKAAEESEHAAEALGAARRRRRTEASGSDATAKQDEATEAESQTDATAVSDAGALHRLAPLCMLLAYFPGIVTQLLVFASHAPVSPFAGDAGGLADLGKARNSREFADWPRRMGHADAAVEHRGSGGGHSSRASASDMTPTWASVAQRCLYWLEAQLNTAEATMLAQGVRLVLTGRRHVSGESPQPTFSAAAARAVLCHPATASSAAEVLLYYLQHRSAWPHKRRAFDVVLAAQADAVMEALIVLHRTTSEVGAPVYGTPEQLQRALSWVAEKITSVPLPMPGLRDPRTRHASSAEGRGSATAEVETTQGLVPRCTSSDLAHWEAYCLALLVPPAAAPNCELHSPVTDMPSARQSVDAAALTDDVMTRFLLQGNSTYLYALLHAVYRSSAALPSLELQFRALQQLSLLTHIATCWCSARVLTEPHALRLVLSHLLHWLRRSPAAAVRRLVCDALLHVWQVARAGRGNAPRHRGWGTTPATQRRHCRLMVARSLAPLTAVSPLISSTWAALCRIDPDLRRSAWQQRVLAYLADTESRRATRIGAETAAEGKERVLARGAISIDEPTDDEAERNEEGAASDGAPGASAGAGAAESEAVSGGCSLPLDGEQWTWSMYEAQRSACLAPLSNPRARGHLLGLQRLLRYVSGHDEEDSDEALEGVPGTVEEHGSNADMDELVPPESCAVSMQLIVEHTSAAPLPSAPLLQDITVAVDSAQALLVRCLHVASVCLRAGHAPPVAAGPTAHRRSRVRTGGSLRPAELSALDVRAVLLDTIQHLYRLCHCNMAALPTEYADAADQFRPLLPGYVAGEDVHGVHTTRLQMLSADSADEQLLAAFRLLRALALCVVLSGEAATLPHCAAAVSSAPSGMGSGSEWLRHEAQRSGSSASTLLAASESALTDDGLPSNQTAEGIVAGMLAQAYAHQLRTLEQLVWCGDADASELGMCALRAWVLCIASGPDGADGAEPPRPAEPPSCFDEAVAQLVASAWRQQLTGPSAAAAAGELVGASGGDQMPSPKARVCYCLQRRLSWVTRSGSCGSRSCRQRATFGTRGAAADTHLRSPSVWAPLRQCPPNQRAFLCRFVLAAANTYGMLKKSLLWAALVPLLMAELRTAEGPTAVPTSSAGSPACDLDGVHAACDSAGSDVRIAEQLLLPVLLHALCLRESEGQRVVRQEWSRQLDRYVFQQAERCAHTARLFLHVLEQCHAVLLRSTRQRGLKGATAASAGRAKATSSFSAAAAAAAAGDGARAEVAPWPSILGSVPSLQDMGECYWLSDIPAARLARAAVRVGEPHLALLFSQLSGESLYGPRTGAAALCGESETTLSAVMLRDGAGAGEAVLAMSSTPYSILFPFARPGDYPSAASVTHTVGAGATRSGGRARDRHDAVRRQTRSFAEDIFDLYASVQGQLELDDVVGVSLMMRLQSVTSAQPHGDGAKWCSWVGSGSALSASLLGSARGRSSGRAIRRVVGYRESGVTPTTSVASGADDSLAAAPSATAAWLDEMRLLEESETHHASGRLWGSDVPRASAAADSGLGGATVEVARPSVALTGEVQERRPDPWAAHLQRAALLLQHGFPSTALDVLLSLQPAERRWEAAERHRSDSGAAERGVADDSVRACSAPGRAAGRGTTELGPEVFLTGAAGETIDAAAGNTDMLSSWTPAHEASLQALLAEAAWKCGRWSCGGGVAGDCPGSCSSECVPRAVLDRLSLRGNTATPESCGASLMPASAGRFYVHLLSAFITLTNGQPLLSMQHVRRAESALRQQLSPTTFVTTVMAAEALHEVRDCAARFLAADAAARKGKAGKPSRGRGAAPKWKQGDRVVELPTWLRSLRGDSVARGSGLDAAELPTARVPSTVDYASRELLDSVRHALCQVYGDREGWYRFVLGATEQALLNRDAAAAHRWLRDWKEQHAEGTGGEGEQASPSPAIVGTAAAEVRERARQLDLVLRTAQVAYGLGRWQEALALLQPAAAAARGEASLAHFNVAPPRTAPWHAPQEPRVIQQLMVWHGELRLLPPSQLVRDPFLSRAAASDSSGACSFLLARLCHTLADDIAARLTSHEHQQLCESVEESKRLKEDLEAQLEAATRPSTGRAAAPLHRPPGVAELDATTGATTTAVLPTLVNIAGVAPLREARGRSAVADAAAGAAAGAAPTVILSEDQLRVIRRRIRELAGDIKRLEDEWQSEKSNFGLYRRSAINAYSRFLQFNQVAQQGAARGVTERTHRGAAALSEVKCLPVDHEEDVVHAVFGFVELWVNAADMEQGGGEVLSKVLDKAVERIPTAVFVPLAGQLTAQLGGQHEGERLAFLVARLARDYPMHVVWPLLALYHGHTFAKSRDVNTLHNVDEAKITAARQLLAGLASAQSTANASSRAGHSASTAALLSTQIRHAQLLSSAYLELAFDRSAATAQVGKRHAICKDFMLIKDACNLAIPPPSSVDPFVTPAVAGGAALAVPHVMRYRNYFTTPGGVNVPKVLQCELSDGTVVRQLLKAGDDLRQDALIEQVFATANRLFRR--RSATRPLQIRTFTIVPLAPTAGILQWVEHTIPLGEYLTGRYTGKEEMPGAHERYFPGEPNTRECRIQLQNAPHSRKCQVLLSLYAQFTPA--------LHYFFLEEYLSAQVWVDRQQTFTRSVAASSIVGYTVGLGDRHINNILLHKGTAEVVHIDLG----IAFDQNKLLPVPELVPFRLTRNMIDGLGVRGTEGSLRPCAEAAMHLLRGKRELIRTILSSIMHDPLARWAI-GSPTHANHIMGADTSVTGAGAVPQESNTRQPAPVRTHGSSAD-----AARTLARIDAKLRGYD--GGDMLSVPTHVRKLMEDAQRVESLAVMFPGWSQWV 4JSP Chain:B ((794-1170)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PRKLTLMGSNGHEFVFLLKGHEDLRQDERVMQLFGLVNTLLANDPTSLRKNLSIQRYAVIPLSTNSGLIGWVPHCDTL-HALIRDYREKKKILLNIEH-----------RIMLRMAPDYDHL-TLMQKVEVFEHAVNNTAGDDLAKLLWLKSPSSEVWFDRRTNYTRSLAVMSMVGYILGLGDRHPSNLMLDRLSGKILHIDFGDCFEVAMTREKF---PEKIPFRLTRMLTNAMEVTGLDGNYRITCHTVMEVLREHKDSVMAVLEAFVYDPLLNWRLMDTNT--------------------------------------ALNKKAIQIINRVRDKLTGRDFSHDDTLDVPTQVELLIKQATSHENLCQCYIGW----

General information: TITO was launched using: RESULT: Template: 4JSP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1241 -42968 -34.62 -143.23 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.52 3D Compatibility (PKB) : -34.62 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_4JSP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JSP-query.scw PDB file : Tito_Scwrl_4JSP.pdb: