Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDNDKFKEELAKLPEVDPMTKMLVQNIFSKHGVTKD-KMKKVSDEEKEMLLNLVKDLQAKSQALIENQKKKKEEAAAQEQKNTKPLSRREQLIEQIRQRRKNDNN 3AGB Chain:A ((149-198)) ----DSHRQSLLKLPEVNPYVS---PSLFVRSAVSPTASMLKIDAEEEDKLEEILRD-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AGB.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 : 105 2306 21.96 47.05 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 21.96 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_3AGB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AGB-query.scw PDB file : Tito_Scwrl_3AGB.pdb: