Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEFSKKTRELSIKKMQERTLDLLIIGGGITGAGVALQAAASGLETGLIEMQDFAEGTSSRSTKLVHGGLRYLKQFDVEVVSDTVSERAVVQQIAPHIPKPDPMLLPVYDEDGATFSLFRLKVAMDLYDLLAGVSNTPTANKV-LSKDQVLERQPNLKKEGLVGGGVYLDFRNNDARLVIENIKRANQDGALIANHVKAEGFLFDESGKITGVVARDLLTDQVFEIKARLVINTTGPWSDKVRNLSNKGTQFSQ---MRPTKGVHLVVDSSKIKVSQPVYFDTGLGDGRMVFVLPRENK-TYFGTTDTDYTGDLEHPKVTQEDVDYLLGIVNNRFPESNITIDDIESSWAGLRPLIAGNSASDYNGGNNGTISDESFDNLIATVESYLSKEKTREDVESAVSKLESSTSEKHLDPSAVSRGSSLD-RDDNG---LLTLAGGKITDYRKMGDEALWSAWLTSSKQNLTVALN 2R45 Chain:A ((31-366)) ----------------------------------------------MLEAQDLACATSSASSKLIHGGLRYLEHYEFRLVSEALAEREVLLKMAPHIAFPMRFRLP---HRPHLRPAWMIRIGLFMYDHLGKRTSLPGSTGLRFGANSVL--KPEIKR-----GFEYSDCWVDDARLVLANAQMVVRKGGEVLTRTRATSARRENGLWI--VEAEDIDTGKKYSWQARGLVNATGPW---VKQFFDDGMHLPSPYGIRLIKGSHIVV--PRVHTQKQAYILQN-EDKRIVFVIPWMDEFSIIGTTDVEYKGDPKAVKIEESEINYLLNVYNTHF-KKQLSRDDIVWTYSGVRPLCDDESDS----------------------------------------------------PQAITRDYTLDIHDENGKAPLLSVFGGKLTTYRKLAEHAL-----------------

General information: TITO was launched using: RESULT: Template: 2R45.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 : 1657 50678 30.58 154.98 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 30.58 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_2R45.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R45-query.scw PDB file : Tito_Scwrl_2R45.pdb: