Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGIILAGGSGTRLYPLTRATSKQLMPVYDKPMIYYPLSTLMLAGIKDILIISTPQDLPRFKDLLLDGSEFGIRLSYAEQPSPDGLAQAFLIGEDFIGDDSVALILGDNIYHGPGLSKMLQKTVSKEKGATVFGYQVKDPERFGVVEFDENMNAISIEEKPECPRSNYAVTGLYFYDNDVVEIAKSIKPSARGELEITDVNKAYLDRGNLSVEVMGRGFAWLDTGTHESLLEASQYIETVQRMQNVQVANLEEIAYRMGYISREDVLELAQPLKKNEYGQYLLRLIGEV 5FYE Chain:C ((14-301)) -KGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDTPRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHELLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQQVVDIARDLKPSPRGELEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIATLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTET

General information: TITO was launched using: RESULT: Template: 5FYE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1497 -193215 -129.07 -670.88 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain C : 0.91 3D Compatibility (PKB) : -129.07 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.662

(partial model without unconserved sides chains): PDB file : Tito_5FYE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FYE-query.scw PDB file : Tito_Scwrl_5FYE.pdb: