Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTESTTPKFAIPELPMQIQTIRQYLPHRYPFLLVDRVTEVTDN-SIIGYKNVSINEEFLQGHFPEYPIMPGVLIVEALAQVSGVLGFIMNNETPKPGSLFLFAGAERVRFKKQVVAGDQLVLKSELVMQKRGIYKYNCTASVDGIVAATAEIMISHQKTEQA 5BUX Chain:B ((20-162)) ------------THTLHIEEILDLLPHRFPFLLVDRVLDFEEGKFLRAVKNVSFNEPFFQGHFPGKPIFPGVLILEAMAQATGILAFKSRGK-LEPGELYYFAGIDEARFKRPVVPGDQMIMEVEFVKERRGLTRFTGVAKVDGEIVCTATMMCAR------

General information: TITO was launched using: RESULT: Template: 5BUX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 678 -44696 -65.92 -314.76 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -65.92 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.627

(partial model without unconserved sides chains): PDB file : Tito_5BUX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BUX-query.scw PDB file : Tito_Scwrl_5BUX.pdb: