Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MSTLAKIEALLFVAGEDGIRVRQLAELLSLPPTGIQQSLGKLAQKYEKDPDSSLALIETSGAYRLVTKPQFAEILKEYSKAPINQSLSRAALETLSIIAYKQPITRIEIDAIRGVNSSGALAKLQAFDLIKEDGKKEVLGRPNLYVTTDYFLDYMGINHLEELPVIDELEIQAQESQLFGERIEEDENQ 3W6K Chain:B ((5-86)) GALKPAKAIVEALLFAAGDEGLSLSQIAAVLEVSELEAKAVIEELQQDCRR-EERGIQLVELGGVFLLATKKEHAPYLKKLVE-------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W6K.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 : 253 -5554 -21.95 -70.30 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -21.95 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.801

(partial model without unconserved sides chains): PDB file : Tito_3W6K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W6K-query.scw PDB file : Tito_Scwrl_3W6K.pdb: