Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIEDVVKLGPVIPVLAFDSAEQGEHVSRALHAGGVKVLEITLRTAAGLAAIERASQLADD-IVVGVGTITKPEHCAQAKKAGAKFGVSPGLTKDLHLAAQDAGLPLLPGVMTPSDLIQAIELGYDIVKFFPAQQAGGVEMLKAFYGPFPNLRFCPTGGITAETAPDFLKQPNVVCVGGSWLTPKPVVAAQDWAEITRLAQIASQL 1WA3 Chain:B ((2-169)) --KMEELFKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTVPDADTVIKELSFLKEKGAIIGAGTVTSVEQCRKAVESGAEFIVSPHLDEEISQFCKEKGVFYMPGVMTPTELVKAMKLGHTILKLFPGEVVGP-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 B - contact count / total energy / energy per contact / energy per residue : 815 -42182 -51.76 -252.59 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -51.76 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.651

(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: