Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLKFTEDAWADYCYWQNQDKKTLKRINKLIKDIQRDPFTGIGKPEPLKYDYQGAWSRRIDAENRLIYMMDGDSVAFLSFKDHY 2A6R Chain:A ((1-84)) MKLIWSEESWDDYLYWQETDKRIVKKINELIKDTRRTPFEGKGKPEPLKHNLSGFWSRRITEEHRLVYAVTDDSLLIAACRYHY

General information: TITO was launched using: RESULT: Template: 2A6R.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 : 334 -44068 -131.94 -524.62 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -131.94 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.761

(partial model without unconserved sides chains): PDB file : Tito_2A6R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A6R-query.scw PDB file : Tito_Scwrl_2A6R.pdb: