Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGIILAGGSGTRLYPLTRATSKQLMPVYDKPMIYYPLSTLMLAGIKDILIISTPQDLPRFKDLLLDGSEFGIRLSYAEQPSPDGLAQAFLIGEDFIGDDSVALILGDNIYHGPGLSKMLQKTVSKEKGATVFGYQVKDPERFGVVEFDENMNAISIEEKPECPRSNYAVTGLYFYDNDVVEIAKSIKPSARGELEITDVNKAYLDRGNLSVEVMGRGFAWLDTGTHESLLEASQYIETVQRMQNVQVANLEEIAYRMGYISREDVLELAQPLKKNEYGQYLLRLIGEV 4B4G Chain:B ((14-301)) -KGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDTPRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHELLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQQVVDIARDLKPSP---LEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIATLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTET

General information: TITO was launched using: RESULT: Template: 4B4G.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 : 1475 -200066 -135.64 -701.98 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.90 3D Compatibility (PKB) : -135.64 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.679

(partial model without unconserved sides chains): PDB file : Tito_4B4G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4B4G-query.scw PDB file : Tito_Scwrl_4B4G.pdb: