Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYIMKQSGWLELICGSMFSGKSEELIRRVKRATYAKQEVRVFKPVIDNRYSEAAVVSHNGTSMTSYAISSAADIWDHISESTDVVAVDEVQFFDQEIVEVLSSLADKGYRVIAAGLDMDFRGEPFGVVPNIMAIAESVTKLQAVCSVCGS-PASRTQRLIDGKPASYDDPVILVGAAESYEARCRHHHEVPGKSKK 2QQE Chain:B ((2-174)) ------SGKLTVITGPMYSGKTTELLSFVEIYKLGKKKVAVFKPK-----------------VEAHVIERPEEMRKYIEEDTRGVFIDEVQFFNPSLFEVVKDLLDRGIDVFCAGLDLTHKQNPFETTALLLSLADTVIKKKAVCHRCGEYNATLTLKVA-----------IDVGGQEKYIAVCR-----------

General information: TITO was launched using: RESULT: Template: 2QQE.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 : 741 -97095 -131.03 -647.30 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -131.03 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_2QQE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QQE-query.scw PDB file : Tito_Scwrl_2QQE.pdb: