Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALKQEMAKSLLKTASLSGRTKLLHQTGLSLYSTSHGFYEEEVKKTLQQFPGGSIDLQKEDNGIGILTLNNPSRMNAFSGVMMLQLLEKVIELENWTEGKGLIVRGAKNTFSSGSDLNAVKSLGTPEDGMAVCMFMQNTLTRFMRLPLISVALVQGWALGGGAEFTTACDFRLMTPESKIRFVHKEMGIIPSWGGTTRLVEIIGSRQALKVLSGALKLDSKNALNIGMVEEVLQSSDETKSLEEAQEWLKQFIQGPPEVIRALKKSVCSGRELYLEEALQNERDLLGTVWGGPANLEAIAKKGKFNK 3H81 Chain:A ((28-256)) --------------------------------------------------------LVERDQRVGIITLNRPQALNALNSQVMNEVTSAATELDDDPDIGAIIITGSAKAFAAGADIKEMADL-TFADAFTADFFATWGKLAAVRTP--TIAAVAGYALGGGCELAMMCDVLIAADTAKFGQPEIKLGVLPGMGGSQRLTRAIGKAKAMDLILTGRTMDAAEAERSGLVSRVVPADD---LLTEARATATTISQMSASAARMAKEAVNRAFESSLSEGLLYERRLFHSAFA----------------

General information: TITO was launched using: RESULT: Template: 3H81.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 : 1158 -103795 -89.63 -453.25 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -89.63 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.327

(partial model without unconserved sides chains): PDB file : Tito_3H81.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3h81-query.scw PDB file : Tito_Scwrl_3H81.pdb: