Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANSAQAKKRARQNVKARKHNASLRSMVRTYIKRTLSAIAGGDYAVATEAYKKAVPVIDRMADKGIIHKNKAARHKSRLNAQVKALAN 5NO2 Chain:T ((1-86)) -ANIKSAKKRAIQSEKARKHNASRRSMMRTFIKKVYAAIEAGDKAAAQKAFNEMQPIVDRQAAKGLIHKNKAARHKANLTAQINKLA-

General information: TITO was launched using: RESULT: Template: 5NO2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain T - contact count / total energy / energy per contact / energy per residue : 174 -18588 -106.82 -216.13 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain T : 0.85 3D Compatibility (PKB) : -106.82 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.840

(partial model without unconserved sides chains): PDB file : Tito_5NO2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NO2-query.scw PDB file : Tito_Scwrl_5NO2.pdb: