Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNCYAIHFYLECFMRKSLIWINLIIAMGALGFTNVVNAKDEYPLHMAAANDDIQLIKHILSQKTLIDARDETGSTALMVATRANNIHAAHMLIEAGADVNAKDNIQDSPYLYAGAQGYLKILRMTLMHGADLKSTNRYGGTALIPAAERGHVETVRTLIAAGVNINHVNNLGWTALLEAIILGNGKSNYQQIVALLLKAGANPNLADKDGITPLQHARTRGYREIEKLLLVAGAK 5AAO Chain:I ((18-165)) -----------------------------------------------------------------------------LLEAARAGQDDEVRILMANGADVNAKDSRGKTPLHLAADYGYLEVAEVLLKHGADVNAHDVYGDTPLHLTATWGHLEIVEVLLKNGADANAIDFFGWTPLHLAAYFG-----HLEIVEVLLKYGADVNAQDKFGKTVFDISVYNGDEDLAEIL------

General information: TITO was launched using: RESULT: Template: 5AAO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 818 -84408 -103.19 -570.32 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain I : 0.66 3D Compatibility (PKB) : -103.19 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.609

(partial model without unconserved sides chains): PDB file : Tito_5AAO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AAO-query.scw PDB file : Tito_Scwrl_5AAO.pdb: