Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNQHEINLKQYQNKSLSYLNSTAHSEGVEFDKFIKEIDEYPNAVVLDLGCGGGHVAYNVARHADL-VFAYDLSHEMLDTVSKAANARKIKN-IFVQQGIAEDMPFTDEQFDVIISRYSAHHWQHVPTAMKEINRVLKPNGTVIFVDIISSSFPILDTFLQAIEVIRDPSHVRNYSIKDWVHFIEDAGFELTILEKQTLKLDFDSWVQRMKTSEDQIKTLRYLQENAADVVKKYFNIQKDGSFESKVGYFVFKKLSF 3BUS Chain:A ((51-168)) -------------------------------DEMIALLDVRSGDRVLDVGCGIGKPAVRLATARDVRVTGISISRPQVNQANARATAAGLANRVTFSYADAMDLPFEDASFDAVWALESLHHMPDRGRALREMARVLRPGGTVAIADFV------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BUS.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 : 577 -39444 -68.36 -340.03 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -68.36 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.624

(partial model without unconserved sides chains): PDB file : Tito_3BUS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BUS-query.scw PDB file : Tito_Scwrl_3BUS.pdb: