Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPYVTVKMLEGRTDEQKRNLVEKVTEAVKETTGASEEKIVVFIEEMRKDHYAVAGKRLSDME 3MB2 Chain:A ((1-61)) MLLLRITMLEGRSTEQKAELARALSAAAAAAFDVPLAEVRLIIQEVPPTHWTVGGISMAEL-

General information: TITO was launched using: RESULT: Template: 3MB2.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 : 155 -20230 -130.52 -331.64 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -130.52 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.647

(partial model without unconserved sides chains): PDB file : Tito_3MB2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MB2-query.scw PDB file : Tito_Scwrl_3MB2.pdb: