Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEISKQTSDLLLSLEKKKGTLPKFSVLRSIPRNRIIYGAPGTGKSNYLEREVGKIFGDNPYVFTRVTFFPGYTYGQFIGAYKPVPIYKKLSGEEEIFSSNFRDKMENFEPMIDYQFVPGPFIDVLIKALKNRYTNFILIIEEINRANAASVFGDIFQLLDRNKNGESDYPVTFGPDIMNYLARNGIKDEMIKLPSNFFIWATMNNADQGVLPLDTAFKRRWSFEYLELEKYRKAVDSWKLSLRYKGHNKVIMWNDFRDIINKRLKGKVPEDKLLGPFFLKE-SELWNQNVFKNKLLYYLKEDVFKHNPTIDFLNASTFSELIEKYDGSDNIFTFDIDDSSFVSD 2O1B Chain:A ((165-229)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PHYLPDWSKVDSQIIDKTKLIYL----TYPNNPTGSTATKEVFDEAIAKFKGTDTKIVHDFAYGAFGFD

General information: TITO was launched using: RESULT: Template: 2O1B.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 : 157 -16340 -104.08 -255.31 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -104.08 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_2O1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O1B-query.scw PDB file : Tito_Scwrl_2O1B.pdb: