Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKSKMTNSNYKLTKEDFNQINKRRLFTFQLGWNYERMQASGYLYMILPQLRKMYGDGTPELKEMMKVHTQFFNTSPFFHTIIAGFDLAMEEKDGVGSKDAVNGIKTGLMGPFAPLGDTIFGSLVPAIMGSVAATMAIAGQPWGIFLWIAVAVAYDIFRWKQLEFAYKEGVNLINNMQSTLTALIDAASVLGVFMMGALVATVINFEISYKLPIGEKMIDFQDILNQIFPRLLPAIFTAFIFWLLGKKGMNSTKAIGIIIVLALALSALGHFALGM 3I3V Chain:A ((40-80)) ---------------------------------------------------------------DTLVVHTQLGTTAPGSPTYLAAVDRFREENPGVKIKNLVNG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3I3V.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 : 91 -6361 -69.90 -155.15 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : -69.90 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.220

(partial model without unconserved sides chains): PDB file : Tito_3I3V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I3V-query.scw PDB file : Tito_Scwrl_3I3V.pdb: