Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEFSKKTRELSIKKMQERTLDLLIIGGGITGAGVALQAAASGLETGLIEMQDFAEGTSSRSTKLVHGGLRYLKQFDVEVVSDTVSERAVVQQIAPHIPKPDPMLLPVYDEDGATFSLFRLKVAMDLYDLLAGVSNTPTANKVLSKDQVLERQPNLKKEGLVGGGVYLDFRNNDARLVIENIKRANQDGALIANHVKAEGFLFDESGKITGVVARDLLTDQVFEIKARLVINTTGPWSDKVRNLSNKGTQFSQMRPTKGVHLVVDSSKIKVSQPVYFDTGLGDGRMVFVLPREN-KTYFGTTDTDYTGDLEHPKVTQEDVDYLLGIVNNRFPESNITIDDIESSWAGLRPLIAGNSASDYNGGNNGTISDESFDNLIATVESYLSKEKTREDVESAVSKLESSTSEKHLDPSAVSRGSSLDRD----DNGLLTLAGGKITDYRKMGDEALWSAWLTSSKQNLTVALN 2QCU Chain:B ((2-375)) -----------------ETKDLIVIGGGINGAGIAADAAGRGLSVLMLEAQDLACATSSASSKLIHGGLRYLEHYEFRLVSEALAEREVLLKMAPHIAFPMRFRLPHRPHLR---PAWMIRIGLFMYDHLGKRTSLP-GSTGLRFGA----NSVLKP-EIKRGFEYSDCWVDDARLVLANAQMVVRKGGEVLTRTRATSARRE--NGLWIVEAEDIDTGKKYSWQARGLVNATGPWVKQFFDDGMHLPSPYGIRLIKGSHIVVPRVHTQKQAYILQNE---DKRIVFVIPWMDEFSIIGTTDVEYKGDPKAVKIEESEINYLLNVYNTHFKKQ-LSRDDIVWTYSGVRPLCDDES----------------------------------------------------DSPQAITRDYTLDIHDENGKAPLLSVFGGKLTTYRKLAEHALEKLTPYYQG--------

General information: TITO was launched using: RESULT: Template: 2QCU.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 : 2153 -66033 -30.67 -178.95 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -30.67 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.388

(partial model without unconserved sides chains): PDB file : Tito_2QCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QCU-query.scw PDB file : Tito_Scwrl_2QCU.pdb: