Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKTTNGWINGFI-GVLIFSGSLPATRLAVSDFDPLFLTVCRAAIAGVLAGGLLLIFRQQHPAKRDLISLLVVAFG--------VVIGFPLLTALALQHVTSAHAIVFIGLLPLATA--------------VFGVLRGGERPRP-----VFWIFSAAGSLLVAGFALIQGGGSSPLGDAYMLASIVVCGL-GYAEGAKLSRRLGNWQVISWALVLSLPLMLP---LSFFFTPDSWSAIGVPALLSLAYVSLFSMLIGFVFWYRGLAQGGIAAVGQLQLLQPFFGLLLASVILHEKVGWALVAVNIAVIMCVAAARRFAK- 4IIK Chain:A ((1-314)) MRSIITQICNGVLHGQSYQSGS--------NDLDKGN--------SEIFASSLFVHLNEQGKEIKDSDDKIVIGYTKDGMAFQIVVDGFYGCERQAVFSFIDNYVLPLIDNFSLDLTRYPDSKKVTESLIHTIYSLRSKHAPLAEFTMSLCVTYQKDEQLFCAGFGIGDTGIAIKRNEGTIEQLVCHTEVDGFKDAFDNYSSANIDLVIERNSVFNTKVMPGDELVGYTYVPPMLEMTEKEFEVEKRIVRHLNLDPGN-FDDKDPLFSQLLQVVKSKQKQLVEQAKETGQIQRFGDDFTVGRLVIPDQLLINQLRIHALS

General information: TITO was launched using: RESULT: Template: 4IIK.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 : 1313 -169839 -129.35 -629.03 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -129.35 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.065

(partial model without unconserved sides chains): PDB file : Tito_4IIK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IIK-query.scw PDB file : Tito_Scwrl_4IIK.pdb: