Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQPPQLKPALAGTADVALPAAFAGPSMTYDGSSGKCENLDSNPRSCEGDEDAGTYSADYRVYQQRPDDTHNATRRRSSSVGQLSVEQVLTSVAPLSSPPQPMAARTRSSHLPHGNGTSADRSASVSLPPAYPDRFSTHAVGDCPAHHGTVSSSWCCDSTCATRTGEANGKVPPEGDGCSERFSPHRIGSALLSSTAETAPGYLLALIGVVTGMLLFLPWSSNPVHIALMVLSSLVGCVCGLLYWISERRWYRRWRHGFYDASGAAAASCSAGGARGWHVESAVGSAGPRYHDHDADDEVSSVGMCCCAGCVSHLIDRQHFRVVLPTAQLLLLGTFVLVSPQVMATWTAPMASTTGRGGGAILADRGAGHAARYGATLYPVEAVWKTCLLHAWIGMRFSLPLLWSLLVGLVHMAVLLAQYQHAGPGTLLTLVVWMSVPLLCFAFAMCITRPRPAVVEEQQHHQLLRGRASGGGAAGYSASYGAGVGEPLPPFVNFFIGRRRDALEATCASVPYSSPSTVTTAAPAPATQYSAHPSRRVVLPPPPVAAYSPASYAQMFSAEGIDGSYLARLKVGEFGSLVRGGSGGVGIAAARYPQANYGGLGTVVPSRYESDQRLIAPQRPVRPRYNAAARSPAPSVQQGAPLLAPKFFDSAGVPPHDDLIGLATPHDITLPSQHGRARDLSAPLYSPSSLSQAVREARYEPAHYPVNNMDEVTYPTTSAAAMLPSSGDGTHPSLPLPQTSRQLAPPSRLSIVSSSTPSTMLVSNLEPAPQPRRQLRKHVQQAAAGEVEEAGAFRDDAVDSDGAAAAIVPADSSHQETRQHRRTGSATAKGQRTWSGVAATAAAAKSMSAAAPAADDDGCANGVDVPNAPVHGRGDDGEEWDSEPPLPAGTSLEDACAPYLVLDAALVIVDVGPSLCRLLGTTVDAVLFRRLPDVLAWLDVVERETAVMLVSAVAQPLRTAAAAVRGEKRGAGAHSTREEKAKKGKDMKRRHSGAQDGMRDNHHDTNENRNAPSGAAKQLQKPSEMEVRDNVAEGAPVRRITLRGHCPYYAKASGSTREISAGRCSRRPPFALCFDVWAERLAAPAPSTAGSWRRHRSSAVGGGRPLPTPFVIILRRPLLHGLCDALPLPVALVHPRTGEVLCWNRYAARLTGCTAYDMLGTPAYGSFVYEGLPGAATTAASQGGFSSTGRHLPPPPPSPSVEFASSTHRRQQSSNTAALSAATAAGTVPDGEVASNGFAPPPVKSTSPTTAALLLSSQQTTSTAFSPLQNARLQRQHGGAGSPTFVDQASPPPHAAGLYGTFTVVASQQHRDTPLPGFFYVPCTRAAAAVAGVPLSAVGHSGELAMTTAIGGGGARPSSSSSTGGGPHQISSLQLPWSLAGRGGTVAAAAGHADRVPSQLTAASQSPLSFGVGGGGGDNKNSTSGVAVGARCPRPPPPPPLAAGLDRGTDPYDEAGVATAFETDGSKEAQGDGDEDVMAAPYCSSPVMVHGLLFRATLRPLRGVLCSEEGGVVENQLGGPLRTSASAVEGEHTGGRGAEGNPFFNQPPRAAHEEDSAAVEGKDAEEGQALAREKNMQAHGDDKSGSDDSVEALLSERQPHHRHHRLHRTAAGARMPNSECEEDSGAEDQSDMDDDDDDDTPFDEDDLPKAMAGTMNGGLTLAATLEQLFATKAMACNFGLDKEPAACPRRSAASTVTTTATAASGALLSSELLPQYSLREALQQLAASESPLLLTFSEPPLYATTCASAEALLQERRLSHHRVSSPSPDEHGYSGVLTHANNGGVAAAASGGDCTSVPESYLGTPQAPFLRRQRPQVPALWGDGSSSLQFVAAVKEAVDSYRESIEEDSSGYTDLLGLLSLSGANGGCCPSSGYAARNSSSSLTPTSFGGAPDAAVTTAITADAVRQLRLLKSLSDQLLQATAAYNRTRQSMSSTTCGLSGGCGCGGVAARVSPSSSSPSLSLGLFAAPSVPDADAAHERHLHARRHGSATTPSPHKDPPAGGPLGFSAHQSPFQPPPPPPHLAFTSEEARGAHRRLQGGGPHRRQPGEPAASASTGGSGAHTGIYRDPNSTPFSVASEDVTGVAPSAVGDSRNSALKEPPPPPHHGATRTSGSGGRRDIQDGGASPVKSRPRHAAKSSTASAPLKVSRGRHTGARHGRRGGAGAGASTPAPSPPLVPLDAAVDVAKESRSSGYMGEISGSTPSSASPCGVGGSGRTAAAAPAATSSLNASTLLVAAGSVPAMSTPRPHATGASASALDVATPQTELHSSPRPCDTVVASGEGEASGRGGGAGEDAAAAGGVTSRLTTSPRYQGSLLLSPSLAAAEMGELEASYGTESRQQRPQHRSSPNIISGAGSGRGATPVKRDASPRRRSSAVYRRESSLDVLPSAPLGSGSFRGNGGLVPTSSSASPSAGAGAGGQGTGSPSPHPARTGSGSLNANANAAAAATAAVRSTPRRPGEGAVWAVLVSRDEATIPSCCISVNLGDEFRLGRSSKCTAVVSDSFVSSTQFSIVRTVSASTTAQDSQSPGSGRSERGARRNKAFTVTLYDRSANGTYVNVKKLGKDKSCVLRDRALITFRLSTSQFFLGFVFMLTDERGVPLDDRTGMGGGSGLRSLLDARLSPQPQTGRRTNASSTGGGGKESSSSQNTVMASPNALSTSAARRNTPRALSTPDNSSFASGTPNGSRRAGGGAPRSSRHAHRETIEWKIGEEMLGKGGNAEVYLGINLTNGQLIAVKRVRLPTFAHGSDAEQDPEAKAILQQYRSLQEEISVLSKATHPNIVQYYGSSQNSTYFNILLEFVPGGSLRHLL-DNFGALSPG--VILSYVHQALEGLAYLHRHNIVHSDFKAANILI-TEKGKVKLTDFGTARLLTRPHATAARGGGEAQSVTSRTTPGQRKDDPVSVGAGGTLHIAGTLRWMDPALF-HNPHSSGAADVTAAATAKDSSDKLGGPTKAGDIWSVGCTMIEMMSGEAPWFEYDFESEEQIVNLLTYTAEPPEIPECPECPDLVTIAQTCLKMDPARRPTCEELLRIVEEATARLQAQSTSPSVSPSREVSQQHPAVPGSVSGAGTGLRSSSTLLCPQMEPGTNSAFASLTANPAVAAYGPGTDDRRRAERVGRPSDSTPMSFAVGGDGGSSAQLSARDAALPTVL 4BIE Chain:A ((26-281)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLGKGTYGIVYAGRDLSNQVRIAIKEI--------------PE----------LHEEIALHKHLKHKNIVQYLGSFSENGFIKIFMEQVPGGSLSALLRSKWGPLKDNEQTIGFYTKQILEGLKYLHDNQIVHRDIKGDNVLINTYSGVLKISDFGTSKRLAG-------------------------------------EFTGTLQYMAPEIIDKGPRGYG---------------------KAADIWSLGCTIIEMATGKPPFYELG-EPQAAMFKVGMFKVH-PEIPESMSAEAKAFILK-CFEPDPDKRACANDLL-VDEFLKV-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BIE.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 : 1252 -30556 -24.41 -128.93 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -24.41 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_4BIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BIE-query.scw PDB file : Tito_Scwrl_4BIE.pdb: