Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKEEIHMFSNKTRQDSIQKMQQEELDLLIIGGGITGAGVAVQSAASGIKTGLIEMQDFAEGTSSRSTKLVHGGIRYLKTFDVEVVADTVGERAVVQSIAPHIPKPDPMLLPIYEGEGATTFNMFSVKVAMDLYDKLANVTGTKYENYTLTPEEVLEREPFLKKEGLKGAGVYLDFRNNDARLVIDNIKKAAEDGAYLVSKMKAVGFLYDGDQIVGVKARDLLTDEVIEIKAKLVINTSGPWVDKVRNLNFTRPVSPKMRPTKGIHLVVDAKKLPVPQPTYFDTGKQDGRMVFAIPREN-KTYFGTTDTDYQGDFTDPKVTQEDVDYLLDVINHRYPEANITLNDIEASWAGLRPLLIGNSGSDYNGGDNGSISDKSFNKVVDTVSEYKENKVSRAEVEDVLNHLENSRDEKAPSTISRGSSLERE----PDGLLTLSGGKITDYRKMAEGALRLIRQLLKEEYGIETKEIDSKKYQISGGNFDPTKLEETVTELAKEGVAA-GLEEEDATYIADFYGTNARRIFELAK---EM-APYPGLSLAESARLRYGLEEEMVLAPGDYLIRRTNHLL-FERDQLDEIKQPVIDAIAGYFEWTEEEKAQQTKRLEALIAESDLRELKGEK 2QCU Chain:B ((2-500)) -----------------------ETKDLIVIGGGINGAGIAADAAGRGLSVLMLEAQDLACATSSASSKLIHGGLRYLEHYEFRLVSEALAEREVLLKMAPHIAFPMRFRLPHRPHLRP----AWMIRIGLFMYDHLGKRTSL-PGSTGLRFGA----NSVLKP-EIKRGFEYSDCWVDDARLVLANAQMVVRKGGEVLTRTRATSARRENG-LWIVEAEDIDTGKKYSWQARGLVNATGPWVKQFFDDGMHLPSPYGIRLIKGSHIVVPRVHTQKQAYILQ-N--EDKRIVFVIPWMDEFSIIGTTDVEYKGDPKAVKIEESEINYLLNVYNTHFKK-QLSRDDIVWTYSGVRPLCDDESD--------------------------------------------------SPQAITRDYTLDIHDENGKAPLLSVFGGKLTTYRKLAEHALEKLTPYYQGIGPA-----WTKESVLPGGAIEGDR-DDYAARL---RRRYPFLTESLARHYARTYGSNSELLLGNAGTVSDLGEDF--GHEFYEAELKYLVDHEWVRRADDALWRRTKQGMWLNADQQSRVSQWLVEYTQQRLSLA---------------------------

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 : 2923 -26277 -8.99 -53.85 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -8.99 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.378

(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: