Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKLLVALGLAATV-ALVGCNKD-------------KAPETGATTGEHLENSAQQASADIKSAGDQAASDIATATDNASAKIDAATDHAADATAKAAAETEATARKATADTAQAVENAAADVKKDAQH 3AEQ Chain:B ((175-245)) VTKLLATMGIKVNVCAPLGASPDDLRKLGQAHFNVLMYPETGESAARHLERACKQPFTKIVPIGVGATRDF---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AEQ.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 : 140 -5064 -36.17 -88.84 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -36.17 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.278

(partial model without unconserved sides chains): PDB file : Tito_3AEQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AEQ-query.scw PDB file : Tito_Scwrl_3AEQ.pdb: