Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSWTFDNKKPIYLQIMEKIKLQIVSHTLEPNQQLPTVRELASEAGVNPNTIQRALSDLEREGFVYSKRTTGRFVTKDKELIAQSRKQLSEEELEHFVSSMTHFGYEKEELPGVVSDYIKGV 3NEU Chain:A ((5-123)) -NPTFHADKPIYSQISDWMKKQMITGEWKGEDKLPSVREMGVKLAVNPNTVSRAYQELERAGYIYAKRGMGSFVTSDKALFDQLKKELADAITERFLEEAKSIGLDDQTAIELLIKRSRN-

General information: TITO was launched using: RESULT: Template: 3NEU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 330 -42514 -128.83 -357.26 target 2D structure prediction score : 0.83 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -128.83 2D Compatibility (Sec. Struct. Predict.) : 0.83 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.748

(partial model without unconserved sides chains): PDB file : Tito_3NEU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NEU-query.scw PDB file : Tito_Scwrl_3NEU.pdb: