Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDTRHMYGGPGFGHYQGFGIGHPGYGMQSTGYPGYGMYGGHPGYGMQGYPDHGIHGGVGGYPGYGGYGGYPSGGYGGSPGTGSYPSMHHENDGHHHYYHHHHDGKDNLHHHHHHVGKDNHHHHHDGHYGHHHHHMGHWGKDGYK 3G9R Chain:A ((1-42)) -------------------------------------------------------------------------------ELDKWASLWNWFNITNWLWYIKIEELKSKIKRIENEIKRIKK------------------------

General information: TITO was launched using: RESULT: Template: 3G9R.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 : 1 42 41.50 0.99 target 2D structure prediction score : 0.17 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 41.50 2D Compatibility (Sec. Struct. Predict.) : 0.17 1D Compatibility (Hydrophobicity) : 0.55 QMean score : -0.450

(partial model without unconserved sides chains): PDB file : Tito_3G9R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3G9R-query.scw PDB file : Tito_Scwrl_3G9R.pdb: