Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGIILAGGSGTRLYPLTRATSKQLMPVYDKPMIYYPLSTLMLAGIKDILIISTPQDLPRFKDLLLDGSEFGIRLSYAEQPSPDGLAQAFLIGEDFIGDDSVALILGDNIYHGPGLSKMLQKTVSKEKGATVFGYQVKDPERFGVVEFDENMNAISIEEKPECPRSNYAVTGLYFYDNDVVEIAKSIKPSARGELEITDVNKAYLDRGNLSVEVMGRGFAWLDTGTHESLLEASQYIETVQRMQNVQVANLEEIAYRMGYISREDVLELAQPLKKNEYGQYLLRLIGEV 5FU8 Chain:B ((14-301)) -KGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDTPRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHELLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQQVVDIARDLKPSPRGELEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIATLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTET

General information: TITO was launched using: RESULT: Template: 5FU8.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 : 1506 -189749 -126.00 -658.85 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.91 3D Compatibility (PKB) : -126.00 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.666

(partial model without unconserved sides chains): PDB file : Tito_5FU8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FU8-query.scw PDB file : Tito_Scwrl_5FU8.pdb: