Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------MNLIRIELRKMKMGW------YIRGALIANVIIMGFMWLISYSEKA---------DGGVSFQSTDEAFLIIGTFV-----------RAVFIVFGAVLIVKLVISEYK-------------NKTILVMFTYPISRKKLLTAKLMIAGG-L---TFITILLSNILIAAGFFWLNSICHFIPGELTSEIISQQAVKMAVFAFG----------AA-GTSLVPIFFGMRRH-SVP-ATIISSVVIVMLIS-STSPGFSISSVVYIPLSLAAFGLFFSYMAIRNADKQDA 1QVJ Chain:A ((1-292)) ENSHNKARTSPYPGSKVERSQVPNEKVGWLVEWQDYKPVEYTAVSVLAGPRWADPQISESNFSPKFNEKDGHVERKSKNGLYEIENGRPRNPAGRTGLVGRGLLGRWGPNHAADPIITRWKRDSSGNKIMHPVSGKHILQFVAIKRKDCG----EWAIPGGMVDPGEKISATLKREFGEEALNSLQKT-SAEKREIEEKLHKLFSQDHLVIYKGYVDDPRNTDNAWMETEAVNYHDETGEIMDNLMLEAGDDAGKVKWVDINDKLKLYASHSQFIKLVAEKRDAHWSED--SEADCHAL

General information: TITO was launched using: RESULT: Template: 1QVJ.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 : 918 -114745 -124.99 -519.21 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -124.99 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.109

(partial model without unconserved sides chains): PDB file : Tito_1QVJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QVJ-query.scw PDB file : Tito_Scwrl_1QVJ.pdb: