Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLSIGQLSKKADVPIDTIRYYEKVGVLDRIQRSENNYRVYTDQTLADLLFIKHCRELDISLSDIKTLKEMKAQPKRACTEVDNLVNKYLIEVSEKIERLLLLKETLIDLKQHCSTDRTVDECGILKELQNHP 3QAO Chain:A ((2-106)) NAMQIKELAELTGVSVRTLHHYDKIGLLVPQKDDWNGYRIYSEKDVDKLQQILFFKELDFPLKKIQQILDDPLF------DKNVALDMQRHLLIEKKQRIETMLATLDLTI----------------------

General information: TITO was launched using: RESULT: Template: 3QAO.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 : 276 -41971 -152.07 -399.72 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -152.07 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.631

(partial model without unconserved sides chains): PDB file : Tito_3QAO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QAO-query.scw PDB file : Tito_Scwrl_3QAO.pdb: