Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDNDKFKEELAKLPEVDPMTKMLVQNIFSKHGVTKDKMKKVSDEEKEMLLNLVKDLQAKSQALIENQKKKKEEAAAQEQKNTKPLSRREQLIEQIRQRRKNDNN 4BJS Chain:A ((24-49)) -----------------------LVARL---RGFTPGDLNGISVEERRNLRI-----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4BJS.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 : 16 -2532 -158.25 -97.38 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -158.25 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 1.005

(partial model without unconserved sides chains): PDB file : Tito_4BJS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BJS-query.scw PDB file : Tito_Scwrl_4BJS.pdb: