Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQPPQLKPALAGTADVALPAAFAGPSMTYDGSSGKCENLDSNPRSCEGDEDAGTYSADYRVYQQRPDDTHNATRRRSSSVGQLSVEQVLTSVAPLSSPPQPMAARTRSSHLPHGNGTSADRSASVSLPPAYPDRFSTHAVGDCPAHHGTVSSSWCCDSTCATRTGEANGKVPPEGDGCSERFSPHRIGSALLSSTAETAPGYLLALIGVVTGMLLFLPWSSNPVHIALMVLSSLVGCVCGLLYWISERRWYRRWRHGFYDASGAAAASCSAGGARGWHVESAVGSAGPRYHDHDADDEVSSVGMCCCAGCVSHLIDRQHFRVVLPTAQLLLLGTFVLVSPQVMATWTAPMASTTGRGGGAILADRGAGHAARYGATLYPVEAVWKTCLLHAWIGMRFSLPLLWSLLVGLVHMAVLLAQYQHAGPGTLLTLVVWMSVPLLCFAFAMCITRPRPAVVEEQQHHQLLRGRASGGGAAGYSASYGAGVGEPLPPFVNFFIGRRRDALEATCASVPYSSPSTVTTAAPAPATQYSAHPSRRVVLPPPPVAAYSPASYAQMFSAEGIDGSYLARLKVGEFGSLVRGGSGGVGIAAARYPQANYGGLGTVVPSRYESDQRLIAPQRPVRPRYNAAARSPAPSVQQGAPLLAPKFFDSAGVPPHDDLIGLATPHDITLPSQHGRARDLSAPLYSPSSLSQAVREARYEPAHYPVNNMDEVTYPTTSAAAMLPSSGDGTHPSLPLPQTSRQLAPPSRLSIVSSSTPSTMLVSNLEPAPQPRRQLRKHVQQAAAGEVEEAGAFRDDAVDSDGAAAAIVPADSSHQETRQHRRTGSATAKGQRTWSGVAATAAAAKSMSAAAPAADDDGCANGVDVPNAPVHGRGDDGEEWDSEPPLPAGTSLEDACAPYLVLDAALVIVDVGPSLCRLLGTTVDAVLFRRLPDVLAWLDVVERETAVMLVSAVAQPLRTAAAAVRGEKRGAGAHSTREEKAKKGKDMKRRHSGAQDGMRDNHHDTNENRNAPSGAAKQLQKPSEMEVRDNVAEGAPVRRITLRGHCPYYAKASGSTREISAGRCSRRPPFALCFDVWAERLAAPAPSTAGSWRRHRSSAVGGGRPLPTPFVIILRRPLLHGLCDALPLPVALVHPRTGEVLCWNRYAARLTGCTAYDMLGTPAYGSFVYEGLPGAATTAASQGGFSSTGRHLPPPPPSPSVEFASSTHRRQQSSNTAALSAATAAGTVPDGEVASNGFAPPPVKSTSPTTAALLLSSQQTTSTAFSPLQNARLQRQHGGAGSPTFVDQASPPPHAAGLYGTFTVVASQQHRDTPLPGFFYVPCTRAAAAVAGVPLSAVGHSGELAMTTAIGGGGARPSSSSSTGGGPHQISSLQLPWSLAGRGGTVAAAAGHADRVPSQLTAASQSPLSFGVGGGGGDNKNSTSGVAVGARCPRPPPPPPLAAGLDRGTDPYDEAGVATAFETDGSKEAQGDGDEDVMAAPYCSSPVMVHGLLFRATLRPLRGVLCSEEGGVVENQLGGPLRTSASAVEGEHTGGRGAEGNPFFNQPPRAAHEEDSAAVEGKDAEEGQALAREKNMQAHGDDKSGSDDSVEALLSERQPHHRHHRLHRTAAGARMPNSECEEDSGAEDQSDMDDDDDDDTPFDEDDLPKAMAGTMNGGLTLAATLEQLFATKAMACNFGLDKEPAACPRRSAASTVTTTATAASGALLSSELLPQYSLREALQQLAASESPLLLTFSEPPLYATTCASAEALLQERRLSHHRVSSPSPDEHGYSGVLTHANNGGVAAAASGGDCTSVPESYLGTPQAPFLRRQRPQVPALWGDGSSSLQFVAAVKEAVDSYRESIEEDSSGYTDLLGLLSLSGANGGCCPSSGYAARNSSSSLTPTSFGGAPDAAVTTAITADAVRQLRLLKSLSDQLLQATAAYNRTRQSMSSTTCGLSGGCGCGGVAARVSPSSSSPSLSLGLFAAPSVPDADAAHERHLHARRHGSATTPSPHKDPPAGGPLGFSAHQSPFQPPPPPPHLAFTSEEARGAHRRLQGGGPHRRQPGEPAASASTGGSGAHTGIYRDPNSTPFSVASEDVTGVAPSAVGDSRNSALKEPPPPPHHGATRTSGSGGRRDIQDGGASPVKSRPRHAAKSSTASAPLKVSRGRHTGARHGRRGGAGAGASTPAPSPPLVPLDAAVDVAKESRSSGYMGEISGSTPSSASPCGVGGSGRTAAAAPAATSSLNASTLLVAAGSVPAMSTPRPHATGASASALDVATPQTELHSSPRPCDTVVASGEGEASGRGGGAGEDAAAAGGVTSRLTTSPRYQGSLLLSPSLAAAEMGELEASYGTESRQQRPQHRSSPNIISGAGSGRGATPVKRDASPRRRSSAVYRRESSLDVLPSAPLGSGSFRGNGGLVPTSSSASPSAGAGAGGQGTGSPSPHPARTGSGSLNANANAAAAATAAVRSTPRRPGEGAVWAVLVSRDEATIPSCCISVNLGDEFRLGRSSKCTAVVSDS---------FVSSTQFSIVRTVSASTTAQDSQSPGSGRSERGARRNKAFTVTLYDRSANGTYVNVKKLGKDKSCVLRDRALITFRLSTSQFFLGFVFMLTDERGVPLDDRTGMGGGSGLRSLLDARLSPQPQTGRRTNASSTGGGGKESSSSQNTVMASPNALSTSAARRNTPRALSTPDNSSFASGTPNGSRRAGGGAPRSSRHAHRETIEWKIGEEMLGKGGNAEVYLGINLTNGQLIAVKRVRLPTFAHGSDAEQDPEAKAILQQYRSLQEEISVLSKATHPNIVQYYGSSQNSTYFNILLEFVPGGSLRHLLDNFGALSPGVILSYVHQALEGLAYLHRHNIVHSDFKAANILITE---KGKVKLTDFGTARLLTRPHATAARGGGEAQSVTSRTTPGQRKDDPVSVGAGGTLHIAGTLRWMDPALFHNPHSSGAADVTAAATAKDSSDKLGGPTKAGDIWSVGCTMIEMMSGEAPWFEYDFESEEQIVNLLT-YTAEPPEIPECPECPDLVTIAQTCLKMDPARRPTCEELLRIVEEATARLQAQSTSPSVSPSREVSQQHPAVPGSVSGAGTGLRSSSTLLCPQMEPGTNSAFASLTANPAVAAYGPGTDDRRRAERVGRPSDSTPMSFAVGGDGGSSAQLSARDAALPTVL 3I6U Chain:A ((89-483)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TPAPWARLWALQDGFANLECV----NDNYWFGRDKSCEYCFDEPLLKRTDKYRTYSKKHFRIFREVGP---------------------KNSYIAYIEDHSGNGTFVNTELVGKGKRRPLNNNSEIALSLSRNKVFVFFDLT-------------------------------------------------------------------------V------DDQ---------------------SVYPKALRDEYIMSK-TLGSGACGEVKLAFERKTCKKVAIRIISKRKFAIG----------------LNVETEIEILKKLNHPCIIKIKNFFDAE-DYYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILG-------------------------------------------PTYLAPEVLV-----------------------AGYNRAVDCWSLGVILFICLSGYPPFSEHRTQ--VSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRH-----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I6U.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 : 1677 18496 11.03 51.52 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 11.03 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.460

(partial model without unconserved sides chains): PDB file : Tito_3I6U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I6U-query.scw PDB file : Tito_Scwrl_3I6U.pdb: