Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLKFTEDAWADYCYWQNQDKKTLKRINKLIKDIQRDPFTGIGKPEPLKYDYQGAWSRRIDAENRLIYMMDGDSVAFLSFKDHY 2A6S Chain:B ((1-84)) MKLIWSEESWDDYLYWQETDKRIVKKINELIKDTRRTPFEGKGKPEPLKHNLSGFWSRRITEEHRLVYAVTDDSLLIAACRYHY

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 B - contact count / total energy / energy per contact / energy per residue : 331 -44012 -132.97 -523.95 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -132.97 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.744

(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: