Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKFMNGWVNGFIGVAIFAGSLPATRVAVTGFEPGFLTAARAVIA---GVLGLILIFLLKE-----KKPAKQDWWPLAIVALGVVVGF-PLFTALALQYMNAAHSIVFVSLLPLATAIFAVVRGGEKPNLFFWIFAVLGSLVVFTYMFFLSGEASFGIGDLYMLIAIILCGFGYAEGGVLSKKIGGWQVICWALILALPIMLLATLFYMPVSFQDVSTSAVAGLVYVSLFSMLIGFFFWYKGLAQGGIAAISQLQLLQPLMGLAIAALLLHEHVSWSMLMVTAVTILCVAAAKKFA 3ALE Chain:A ((328-399)) ---------------------------AALGLEPGKLAASRRVLSDYGNMSGATVIFALDELRRQRK-------WP----ELGVMMAFGPGMTVDAMLLHATS-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ALE.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 : 107 -9453 -88.35 -168.80 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.42 3D Compatibility (PKB) : -88.35 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.42 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_3ALE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ALE-query.scw PDB file : Tito_Scwrl_3ALE.pdb: