Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVFYIPKLDVMTKSTENIEKKIEAQLEKIKQLKAQKQAIEARERTKQKEQERKDDTRRKILLGSYLIKKMNANEANREKILAEFNEYLTDERDRKLFNL 2WPZ Chain:B ((2-29)) -------------RMKQLEDKVEENLSKVYHNENEVARLKK----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WPZ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1 -274 -274.00 -9.79 target 2D structure prediction score : 0.89 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -274.00 2D Compatibility (Sec. Struct. Predict.) : 0.89 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.916

(partial model without unconserved sides chains): PDB file : Tito_2WPZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WPZ-query.scw PDB file : Tito_Scwrl_2WPZ.pdb: