Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEFRGGRKMEKIEWRKDKSYSMKKSPQILEVPKKSFFSIRGIGDPNQEDFKRRVACLYAVSYAIRMSPKKNWLIPDYQMYTVYPLEGQWGLQEKYLHEPVMKKEHFSYQLMIRQPDFVTEAIAQEAIQRSSKLPEDLKEQVVFKKMEEGLCAQILHVGPYAEEPATFEKLEA-FIAKEGYERASKEHKEIYISDPRKSAPEKMKTILRVKIEKG 5XQL Chain:A ((140-290)) -----------------------MHARIVERPAFSVVGMEYFGSAP--TIGQLWERFIPREHEIAGKHDP------------EVSYGICA-Q--------QPNGEFHYVAGFEVQEGW-----------------PVPEGMVRFQVPAQKYAVFTHKGTAPQIAESFQAIYSHLLAERGLEPKAGVDFEYYDQRFRGPLDPNSQVDLYIPIY--

General information: TITO was launched using: RESULT: Template: 5XQL.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 : 675 -27696 -41.03 -187.13 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -41.03 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.302

(partial model without unconserved sides chains): PDB file : Tito_5XQL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5XQL-query.scw PDB file : Tito_Scwrl_5XQL.pdb: