Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQPPQLKPALAGTADVALPAAFAGPSMTYDGSSGKCENLDSNPRSCEGDEDAGTYSADYRVYQQRPDDTHNATRRRSSSVGQLSVEQVLTSVAPLSSPPQPMAARTRSSHLPHGNGTSADRSASVSLPPAYPDRFSTHAVGDCPAHHGTVSSSWCCDSTCATRTGEANGKVPPEGDGCSERFSPHRIGSALLSSTAETAPGYLLALIGVVTGMLLFLPWSSNPVHIALMVLSSLVGCVCGLLYWISERRWYRRWRHGFYDASGAAAASCSAGGARGWHVESAVGSAGPRYHDHDADDEVSSVGMCCCAGCVSHLIDRQHFRVVLPTAQLLLLGTFVLVSPQVMATWTAPMASTTGRGGGAILADRGAGHAARYGATLYPVEAVWKTCLLHAWIGMRFSLPLLWSLLVGLVHMAVLLAQYQHAGPGTLLTLVVWMSVPLLCFAFAMCITRPRPAVVEEQQHHQLLRGRASGGGAAGYSASYGAGVGEPLPPFVNFFIGRRRDALEATCASVPYSSPSTVTTAAPAPATQYSAHPSRRVVLPPPPVAAYSPASYAQMFSAEGIDGSYLARLKVGEFGSLVRGGSGGVGIAAARYPQANYGGLGTVVPSRYESDQRLIAPQRPVRPRYNAAARSPAPSVQQGAPLLAPKFFDSAGVPPHDDLIGLATPHDITLPSQHGRARDLSAPLYSPSSLSQAVREARYEPAHYPVNNMDEVTYPTTSAAAMLPSSGDGTHPSLPLPQTSRQLAPPSRLSIVSSSTPSTMLVSNLEPAPQPRRQLRKHVQQAAAGEVEEAGAFRDDAVDSDGAAAAIVPADSSHQETRQHRRTGSATAKGQRTWSGVAATAAAAKSMSAAAPAADDDGCANGVDVPNAPVHGRGDDGEEWDSEPPLPAGTSLEDACAPYLVLDAALVIVDVGPSLCRLLGTTVDAVLFRRLPDVLAWLDVVERETAVMLVSAVAQPLRTAAAAVRGEKRGAGAHSTREEKAKKGKDMKRRHSGAQDGMRDNHHDTNENRNAPSGAAKQLQKPSEMEVRDNVAEGAPVRRITLRGHCPYYAKASGSTREISAGRCSRRPPFALCFDVWAERLAAPAPSTAGSWRRHRSSAVGGGRPLPTPFVIILRRPLLHGLCDALPLPVALVHPRTGEVLCWNRYAARLTGCTAYDMLGTPAYGSFVYEGLPGAATTAASQGGFSSTGRHLPPPPPSPSVEFASSTHRRQQSSNTAALSAATAAGTVPDGEVASNGFAPPPVKSTSPTTAALLLSSQQTTSTAFSPLQNARLQRQHGGAGSPTFVDQASPPPHAAGLYGTFTVVASQQHRDTPLPGFFYVPCTRAAAAVAGVPLSAVGHSGELAMTTAIGGGGARPSSSSSTGGGPHQISSLQLPWSLAGRGGTVAAAAGHADRVPSQLTAASQSPLSFGVGGGGGDNKNSTSGVAVGARCPRPPPPPPLAAGLDRGTDPYDEAGVATAFETDGSKEAQGDGDEDVMAAPYCSSPVMVHGLLFRATLRPLRGVLCSEEGGVVENQLGGPLRTSASAVEGEHTGGRGAEGNPFFNQPPRAAHEEDSAAVEGKDAEEGQALAREKNMQAHGDDKSGSDDSVEALLSERQPHHRHHRLHRTAAGARMPNSECEEDSGAEDQSDMDDDDDDDTPFDEDDLPKAMAGTMNGGLTLAATLEQLFATKAMACNFGLDKEPAACPRRSAASTVTTTATAASGALLSSELLPQYSLREALQQLAASESPLLLTFSEPPLYATTCASAEALLQERRLSHHRVSSPSPDEHGYSGVLTHANNGGVAAAASGGDCTSVPESYLGTPQAPFLRRQRPQVPALWGDGSSSLQFVAAVKEAVDSYRESIEEDSSGYTDLLGLLSLSGANGGCCPSSGYAARNSSSSLTPTSFGGAPDAAVTTAITADAVRQLRLLKSLSDQLLQATAAYNRTRQSMSSTTCGLSGGCGCGGVAARVSPSSSSPSLSLGLFAAPSVPDADAAHERHLHARRHGSATTPSPHKDPPAGGPLGFSAHQSPFQPPPPPPHLAFTSEEARGAHRRLQGGGPHRRQPGEPAASASTGGSGAHTGIYRDPNSTPFSVASEDVTGVAPSAVGDSRNSALKEPPPPPHHGATRTSGSGGRRDIQDGGASPVKSRPRHAAKSSTASAPLKVSRGRHTGARHGRRGGAGAGASTPAPSPPLVPLDAAVDVAKESRSSGYMGEISGSTPSSASPCGVGGSGRTAAAAPAATSSLNASTLLVAAGSVPAMSTPRPHATGASASALDVATPQTELHSSPRPCDTVVASGEGEASGRGGGAGEDAAAAGGVTSRLTTSPRYQGSLLLSPSLAAAEMGELEASYGTESRQQRPQHRSSPNIISGAGSGRGATPVKRDASPRRRSSAVYRRESSLDVLPSAPLGSGSFRGNGGLVPTSSSASPSAGAGAGGQGTGSPSPHPARTGSGSLNANANAAAAATAAVRSTPRRPGEGAVWAVLVSRDEATIPSCCISVNLGDEFRLGRSSKCTAVVSDSFVSSTQFSIVRTVSASTTAQDSQSPGSGRSERGARRNKAFTVTLYDRSANGTYVNVKKLGKDKSCVLRDRALITFRLSTSQFFLGFVFMLTDERGVPLDDRTGMGGGSGLRSLLDARLSPQPQTGRRTNASSTGGGGKESSSSQNTVMASPNALSTSAARRNTPRALSTPDNSSFASGTPNGSRRAGGGAPRSSRHAHRETIEWKIGEEMLGKGGNAEVYLGINLTNGQLIAVKRVRLPTFAHGSDAEQDPEAKAILQQYRSLQEEISVLSKATHPNIVQYYGSSQNSTYFNILLEFVPGGSLRHLLDNFGALSPGV----ILSYVHQALEGLAYLHRHNIVHSDFKAANILITEKGKVKLTDFGTARLLTRPHATAARGGGEAQSVTSRTTPGQRKDDPVSVGAGGTLHIAGTLRWMDPALFHNPHSSGAADVTAAATAKDSSDKLGGPTKAGDIWSVGCTMIEMMSGEAPWFEYDFESEEQIVNLLTYTAEPPEIPECPECPDLVTIAQTCLKMDPARRPTC-----EELLR---IVEEATARLQAQSTSPSVSP------SREVSQQHPAVPGSVSGAGTGLRSSSTLLCPQMEPGTNSAFASLTANPAVAAYGPGTDDRRRAERVGRPSDSTPMSFAVGGDGGSSAQLSARDAALPTVL 3C4Z Chain:A ((31-533)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RDRKYLARLKLPPLSKCEALRESLDLGFEGMCLEQ--PIGKRLFQQFLRTHEQHGPALQLWKDIEDYDTADDAL---RPQKAQALRAAYLEPQA----QLFCSFLDAETVARARAGGLFQPLLRAVLAHLGQAPFQEFLDSLYFLRFLQWKWLEAQPM--------------GEDWFLDFRVLGRGGFGEVFACQMKATGKLYACKKLNKKRLKKRKGYQGAMVEKKILAKVHS-------------RFIVSLAYAFETKTDLCLVMTIMNGGDIRYHIYNVDEDNPGFQEPRAIFYTAQIVSGLEHLHQRNIIYRDLKPENVLLDDDGNVRISDLGLAVELKA-------------------------------GQTKTKGYAGTPGFMAPELLLGEEYD----------------------FSVDYFALGVTLYEMIAARGPFRARGEKVENKELKQRVLEQAVTYPDKFS--PASKDFCEALLQKDPEKRLGFRDGSCDGLRTHPLFRDISWRQLEAGMLTPPFVPDSRTVYAKNGAFSGVAFEKADTEFFQEFASGTCPIPWQEEMIETGVFGDLNVWRP---------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C4Z.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 : 2292 -86286 -37.65 -181.65 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -37.65 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.304

(partial model without unconserved sides chains): PDB file : Tito_3C4Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C4Z-query.scw PDB file : Tito_Scwrl_3C4Z.pdb: