Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAGKHLKKKDNLWILFNGKEYCVGLTNEAQEELGDITFANLPKAGQSLKKDEPLIEVEAEKAVNEFASPLTGTVSSVNDKIGEDINILNDSDEMNAWILSFKDVDPKEFDEL 3MXU Chain:A ((22-132)) -MSKTYFTQDHEWLSVEGQVVTVGITDYAQEQLGDLVFIDLPQNGTKLSKGDAAAVVESVKAASDVYAPLDGEVVEINAALAESPELVNQKAETEGWLWKMTVQDETQLERL

General information: TITO was launched using: RESULT: Template: 3MXU.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 : 558 -41849 -75.00 -377.01 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -75.00 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_3MXU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MXU-query.scw PDB file : Tito_Scwrl_3MXU.pdb: