Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLIE---ERTYEERLYIYSDDIEARKHFVSEL----KPKGWMVDNCWVGIDLNQIKQFYRFKRELTDDYVFNR 3KDE Chain:C ((1-76)) MKYCKFCCKAVTGVKLIHVPKCAIKRKLWEQSLGCSLGENSQICDTHFNDSQWKAAKGQTFKRRRLNADAVPSK

General information: TITO was launched using: RESULT: Template: 3KDE.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 : 199 4739 23.81 70.73 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : 23.81 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.392

(partial model without unconserved sides chains): PDB file : Tito_3KDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KDE-query.scw PDB file : Tito_Scwrl_3KDE.pdb: