Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRLKVVIKDQFDQESIALAKVRPANDQKLELYKS---VEHIEIDDDIILPNMDLLYENPKDGKIYKLVGPFNEDEL 2KA4 Chain:B ((16-44)) -----------------------HLNTEPMEIFRNSVKIEEIMPNGDPLLAG-------------------------

General information: TITO was launched using: RESULT: Template: 2KA4.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 : 8 152 19.00 5.85 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : 19.00 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_2KA4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KA4-query.scw PDB file : Tito_Scwrl_2KA4.pdb: