Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQKTFKVTADSGIHARPATVLVQTASKYDADVNLEYNGKTVNLKSIMGVMSLGIAKGAEITISASGADENDALNALEETMKSEGLGE 3OQO Chain:S ((1-87)) -AQKTFKVTADSGIHARPATVLVQTASKYDADVNLEYNGKTVNLKSIMGVMSLGIAKGAEITISASGADENDALNALEETMKSEGLGE

General information: TITO was launched using: RESULT: Template: 3OQO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 410 -42332 -103.25 -486.57 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain S : 0.99 3D Compatibility (PKB) : -103.25 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.99 QMean score : 0.600

(partial model without unconserved sides chains): PDB file : Tito_3OQO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OQO-query.scw PDB file : Tito_Scwrl_3OQO.pdb: