Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNQHEINLKQYQNKSLSYLNSTAHSEGVEFDKFIKEIDEYPNAVVLDLGCGGGHVAYNVARH-ADLVFAYDLSHEMLDTVSKAANARKI-KNIFVQQGIAEDMPFTDEQFDVIISRYSAHHWQHVPTAMKEINRVLKPNGTVIFVDIISSSFPI--LDTFLQAIEVIRDPSHVRNYSIKDWVHFIEDAGFELTILEKQTLKLDFDSWVQRMKTSEDQIKTLRYLQENAADVVKKYFNIQKDGSFESKVGYFVFKKLSF 3BUS Chain:B ((52-215)) --------------------------------EMIALLDVRSGDRVLDVGCGIGKPAVRLATARDVRVTGISISRPQVNQANARATAAGLANRVTFSYADAMDLPFEDASFDAVWALESLHHMPDRGRALREMARVLRPGGTVAIADFVLLAPVEGAKKEAVDAFR--AGGGVLSLGGIDEYESDVRQAELVVTSTVD-------------------------------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 732 -35985 -49.16 -224.90 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -49.16 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.455

(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: