Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKWKNWLLGSGLVSILLFLSGCVRMDSNGNPDTSGIVYRVLVHPMGQAITYLVENFNWSYGWAVIAMTVIVRIIILPLGISQSKKTMIQSEKMQALKPQVEAAQQKLKAATTREEQMAAQAEMQQVYRENGLSMTGGIGCLPLLIQMPIFSALYFTARYTEGIRESSF----YGIDLGSPSMVLVAIAGVA-YLLQGYISTIGIPEEQKKTMRTMLIVSPAMIVFMSISAPAGVTLYWVVGGVFSCLQTFITNVMMKPRLKAQVAEELKQNPPKQVVTPRKDVTESAKPADNKQPKNSTNNKGRNAGKQQKRK 5M5H Chain:A ((347-527)) -----------------------------------------------------IHSFVGNWGFSIIIITFIVRGIMYP--------------------------------------------------------------CFPLLIQMPIFLALYYMLMGSVELRQAPFALWIHDLSAQDPYYILPILMGVTMFFIQ-------------KIMTFM----PVIFTVFFLWFPSGLVLYYIVSNLVTIIQ-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5M5H.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 : 396 -72453 -182.96 -646.90 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -182.96 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.129

(partial model without unconserved sides chains): PDB file : Tito_5M5H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5M5H-query.scw PDB file : Tito_Scwrl_5M5H.pdb: