Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKISYKPSTDSKEMKKEYETVNDFLQGQYLEVPPLQDHFVVTTVTLDGKEIEMPDQTISGLFNYFNK 4IAJ Chain:B ((6-71)) MIEITYIDASKN-ERTVTFESYEDFERSQQACLIGVADYYPVQKLTYKGHNLDYHG-TYGDIFFYLMK

General information: TITO was launched using: RESULT: Template: 4IAJ.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 : 227 -31135 -137.16 -471.74 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -137.16 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_4IAJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IAJ-query.scw PDB file : Tito_Scwrl_4IAJ.pdb: