Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALKQEMAKSLLKTASLSGRTKLLHQTGLSLYSTSHGFYEEEVKKTLQQFPGGSIDLQKEDNGIGILTLNNPSRMNAFSGVMMLQLLEKVIELENWTEGKGLIVRGAKNTFSSGSDLNAVKSLGTPEDGMAVCMFMQNTLTRFMRLPLISVALVQGWALGGGAEFTTACDFRLMTPESKIRFVHKEMGIIPSWGGTTRLVEIIGSRQALKVLSGALKLDSKNALNIGMVEEVLQSSDETKSLEEAQEWLKQFIQGPPEVIRALKKSVCSGRELYLEEALQNERDLLGTVWGGPANLEAIAKKGKFNK 2QQ3 Chain:L ((11-252)) -----------------------------------------------------------QEGAVGIIELARPDVLNALSRQMVAEIVAAVEAFDRNEKVRVIVLTGRGRAFAAGADIQEMAKDDPI--RLEW-LNQFADWDRLSIVKTPMIAAVNGLALGGGFELALSCDLIVASSAAEFGFPEVNLGVMPGAGGTQRLTKLIGPKRALEWLWTGARMSAKEAEQLGIVNRVVSPEL---LMEETMRLAGRLAEQPPLALRLIKEAVQKAVDYPLYEGMQFERKNFYLLFASEDQKEGMAAFLEKRK

General information: TITO was launched using: RESULT: Template: 2QQ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain L - contact count / total energy / energy per contact / energy per residue : 1155 -108022 -93.53 -446.37 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain L : 0.73 3D Compatibility (PKB) : -93.53 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.364

(partial model without unconserved sides chains): PDB file : Tito_2QQ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2qq3-query.scw PDB file : Tito_Scwrl_2QQ3.pdb: