Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEISKQTSDLLLSLEKKKGTLPKFSVLRSIPRNRIIYGAPGTGKSNYLEREVGKIFGDNPYVFTRVTFFPGYTYGQFIGAYKPVPIYKKLSGEEEIFSSNFRDKMENFEPMIDYQFVPGPFIDVLIKALKNRYTNFILIIEEINRANAASVFGDIFQLLDRNKNGESDYPVTFGPDIMNYLARNGIKDEMIKLPSNFFIWATMNNADQGVLPLDTAFKRRWSFEYLELEKYRKAVDSWKLSLRYKGHNKVIMWNDFRDIINKRLKGKVPEDKLLGPFFLKESELWNQNVFKNKLLYYLKEDVFKHNPTIDFLNASTFSELIEKYDGSDNIFTFDIDDSSFVSD 2M8G Chain:X ((429-477)) ---SSELPELLRKRERKTGDLPKF--IEETEKKRIIEALEKTG---YVKSRAAKLLG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2M8G.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 55 -1899 -34.53 -38.76 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain X : 0.54 3D Compatibility (PKB) : -34.53 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.307

(partial model without unconserved sides chains): PDB file : Tito_2M8G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2M8G-query.scw PDB file : Tito_Scwrl_2M8G.pdb: