Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRIALLPGDGIGPEVLESATDVLKSVAERFNHEFEFEYGLIGGAAIDEHHNPLPEETVAACKNADAILLGAVGGPKWDQNPSELRPEKGLLSIRKQLDLFANLRPVKVFESLSDASPLKKEYIDNVDFVIVRELTGGLYFGQPSKRYVNTEGEQEAVDTLFYKRTEIERVIREGFKMAAARKGKVTSVDKANVLE-SSRLWREVAEDVAQEFPDVKLEHMLVDNAAMQLIYAPNQFDVVVTENMFGDILSDEASMLTGSLGMLPSASLSSSGLHLFEPVHGSAPDIAGKGMANPFAAILSAAML------LRTSFGLEEEAKAVEDAVNKVLASGKR-TRDLARSEEFSSTQAITEEVKAAIMSENTISNV 4Y1P Chain:B ((5-335)) ----VALIQGDGIGPEVVSKSKTILARLNEKFSLPIEYIEVEAGDTTKNKFGDALPKDSLRVIEKADMILKGPVGETAADV----------VVKLRLMYDLYANLRPAKSLPGLENK-------FGDVDILVVRENTEDLYKGL---EHVISDGVTVGIKVI--TRAASTRIAQVALNQALRRKKKVVCVHKSNVMRITDGLFAESCRNVLK--GKVEYSEMYVDAAAANLVRNPQAFDVIVTENTYGDILSDEAGQIAGSLGISPSANIGDRK-SLFEPVHGAAFDIAGKNIANPTAFLLSVGMMLDRMQELSGDIRYNNAAKSLRDAIYSVYSEGKYLTPDVGGS-------STTDEMISAIRSK------

General information: TITO was launched using: RESULT: Template: 4Y1P.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 : 1810 -81304 -44.92 -251.72 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -44.92 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_4Y1P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Y1P-query.scw PDB file : Tito_Scwrl_4Y1P.pdb: