Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNKKNLGIGGIIVLLIAAYLGLDLSGHKNNPTPSSIPVNQRTETTFSNDGVDTIKAAYERRQSNVQVQGSGRVKAILREDNDGSRHQKFILVLKNG---LSILVAHNIDLAPKIEDLRKGDIVEFNGEYEYNEKGGVLHWTHHDPQNRHENGWLKHNGRIYQ 3KBH Chain:E ((2-122)) -----------HTDINFTATASFGGSCYVCKPHQVNISLNGNTSVCVRTSH---FSIRYIYNRVKSGSPGDSSWHIYLKSGTCPFSFICFSTVEVPGSCNFPLEATWH---------------------YTSYTIVGALYVTWSE------------------

General information: TITO was launched using: RESULT: Template: 3KBH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 469 -36110 -76.99 -337.47 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain E : 0.62 3D Compatibility (PKB) : -76.99 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_3KBH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KBH-query.scw PDB file : Tito_Scwrl_3KBH.pdb: