Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTESTTPKFAIPELPMQIQTIRQYLPHRYPFLLVDRVTEVTDNSII-GYKNVSINEEFLQGHFPEYPIMPGVLIVEALAQVSGVLGFIMNNETPKPGSLFLFAGAERVRFKKQVVAGDQLVLKSELVMQKRGIYKYNCTASVDGIVAATAEIMISHQKTEQA 5BUX Chain:B ((23-162)) ---------------LHIEEILDLLPHRFPFLLVDRVLDFEEGKFLRAVKNVSFNEPFFQGHFPGKPIFPGVLILEAMAQATGILAFKSRGKL-EPGELYYFAGIDEARFKRPVVPGDQMIMEVEFVKERRGLTRFTGVAKVDGEIVCTATMMCAR------

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 : 660 -47363 -71.76 -340.74 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -71.76 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.566

(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: