Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLKFTEDAWADYCYWQNQDKKTLKRINKLIKDIQRDPFTGIGKPEPLKYDYQGAWSRRIDAENRLIYMMDGDSVAFLSFKDHY 2A6S Chain:A ((1-83)) MKLIWSEESWDDYLYWQETDKRIVKKINELIKDTRRTPFEGKGKPEPLKHNLSGFWSRRITEEHRLVYAVTDDSLLIAACRYH-

General information: TITO was launched using: RESULT: Template: 2A6S.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 : 326 -40010 -122.73 -482.04 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -122.73 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.731

(partial model without unconserved sides chains): PDB file : Tito_2A6S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A6S-query.scw PDB file : Tito_Scwrl_2A6S.pdb: