Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASKDFHVVAETGIHARPATLLVQTASKFASDITLEYKGKSVNLKSIMGVMSLGVGQGADVTISAEGADADDAIAAISETMEKEGLA 3OQM Chain:S ((1-85)) -AQKTFKVTADSGIHARPATVLVQTASKYDADVNLEYNGKTVNLKSIMGVMSLGIAKGAEITISASGADENDALNALEETMKSEGL-

General information: TITO was launched using: RESULT: Template: 3OQM.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 : 403 -53179 -131.96 -625.64 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain S : 0.93 3D Compatibility (PKB) : -131.96 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.734

(partial model without unconserved sides chains): PDB file : Tito_3OQM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OQM-query.scw PDB file : Tito_Scwrl_3OQM.pdb: