Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIEDVVKLGPVIPVLAFDSAEQGEHVSRALHAGGVKVLEITLRTAAGLAAIERASQLADD-IVVGVGTITKPEHCAQAKKAGAKFGVSPGLTKDLHLAAQDAGLPLLPGVMTPSDLIQAIELGYDIVKFFPAQQAGGVEMLKAFYGPFPNLRFCPTGGITAETAPDFLKQPNVVCVGGSWLTPKPVVAAQDWAEITRLAQIASQL 1WA3 Chain:F ((3-169)) ---MEELFKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTVPDADTVIKELSFLKEKGAIIGAGTVTSVEQCRKAVESGAEFIVSPHLDEEISQFCKEKGVFYMPGVMTPTELVKAMKLGHTILKLFPGEVVGP-QFVKAMKGPFPNVKFVPTGGVNLDNVCEWFK------------------------------------

General information: TITO was launched using: RESULT: Template: 1WA3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 799 -42761 -53.52 -257.60 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain F : 0.76 3D Compatibility (PKB) : -53.52 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.654

(partial model without unconserved sides chains): PDB file : Tito_1WA3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WA3-query.scw PDB file : Tito_Scwrl_1WA3.pdb: