Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDVDILNKTKAYAPITDKYLSGYTFSEETGTDSYLKENELFMGDIFMWDDSMKSTVMLNFGESVKDIMKRKGITQEQLAFDLGVDRSTLREYLDPDKQFTLAHVVGICIALKLPYDISEMMVSKAGLSLNGRMRHHIVYRGFLRVANTL 3KXA Chain:C ((68-138)) ----------------------------------------------------------AGGETFVSLRMKKGFTQSELATAAGLPQPYLSRIENSKQSLQDKTVQKLANALGVSPLEVRAAFERRYEYM--------------------

General information: TITO was launched using: RESULT: Template: 3KXA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 245 -27800 -113.47 -391.54 target 2D structure prediction score : 0.89 Monomeric hydrophicity matching model chain C : 0.57 3D Compatibility (PKB) : -113.47 2D Compatibility (Sec. Struct. Predict.) : 0.89 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.744

(partial model without unconserved sides chains): PDB file : Tito_3KXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KXA-query.scw PDB file : Tito_Scwrl_3KXA.pdb: