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

General information: TITO was launched using: RESULT: Template: 3OQN.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 : 423 -46293 -109.44 -532.10 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain S : 0.99 3D Compatibility (PKB) : -109.44 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.99 QMean score : 0.639

(partial model without unconserved sides chains): PDB file : Tito_3OQN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OQN-query.scw PDB file : Tito_Scwrl_3OQN.pdb: