Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGIILAGGSGTRLYPLTKATSKQLMPIYDKPMIYYPMSTLMLAGIKEILIISTPQDTPRFKELFGNGNDLGLQIEYAVQESPDGLAQAFIIGEEFIGDDSVCLVLGDNIYYGGGLSKMLQRAASKDTGATVFGYHVNDPERFGVVEFDENMQALSIEEKPAQPKSNYAVTGLYFYDNEVISIAKGIKPSERGELEITDVNKAYLDKGKLSVELMGRGFAWLDTGTHESLLEASTFIETIEKRQNLKVACLEEIAYRMGYIDKEQLLALAQPLKKNQYGQYLLNLAAE 5FU0 Chain:C ((14-300)) -KGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDTPRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHELLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQQVVDIARDLKPSPRGELEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIATLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTE

General information: TITO was launched using: RESULT: Template: 5FU0.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 : 1506 -201503 -133.80 -702.10 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain C : 0.92 3D Compatibility (PKB) : -133.80 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.648

(partial model without unconserved sides chains): PDB file : Tito_5FU0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FU0-query.scw PDB file : Tito_Scwrl_5FU0.pdb: