Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRIALLPGDGIGPEVLESATDVLKSVAERFNHEFEFEYGLIGGAAIDEHHNPLPEETVAACKNADAILLGAVGGPKWDQNPSELRPEKGLLSIRKQLDLFANLRPVKVFESLSDASPLKKEYIDNVDFVIVRELTGGLYFGQPSKRYVNTEGEQEAVDTLFYKRTEIERVIREGFKMAAARKGKVTSVDKANVLESSRLWREVAEDVAQEFPDVKLEHMLVDNAAMQLIYAPNQFDVVVTENMFGDILSDEASMLTGSLGMLPSASLSSSGLHLFEPVHGSAPDIAGKGMANPFAAILSAAMLLRTSFGLEEEAKAVEDAVNKVLASGKRTRDLARSEE-FSSTQAITEEVKAAIMSENTISNV 3U1H Chain:A ((3-363)) --KKIAVLPGDGIGPEVMEAAIEVLKAVAERFGHEFEFEYGLIGGAAIDEAGTPLPEETLDVCRGSDAILLGAVGGPKWDQNPSELRPEKGLLGIRKGLDLFANLRPVKVYDSLADASPLKKEVIEGVDLVIVRELTGGLYF-------E--EGEEAAVDTLLYTREEIERIIRKAFELALTRKKKVTSVDKANVLESSRLWREVAEEVAKEYPDVELEHMLVDNAAMQLIRNPRQFDVIVTENMFGDILSDEASMITGSLGMLPSASLSTDGLGLYEPVHGSAPDIAGKGIANPLATILSAAMMLRYSFGLEEEAKAIEKAVEKVLAEGYRTADIAKPGGKYVSTTEMTDEVKAAVVDELATSA-

General information: TITO was launched using: RESULT: Template: 3U1H.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 : 1998 -174939 -87.56 -495.58 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.94 3D Compatibility (PKB) : -87.56 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.615

(partial model without unconserved sides chains): PDB file : Tito_3U1H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U1H-query.scw PDB file : Tito_Scwrl_3U1H.pdb: