Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKLKTRRGAAKRFKATANGFKRKQAFKRHILTKKSAKRIRQLRGCVMVHVSDVASVRRMCPYI 3J6B Chain:Z ((54-115)) --LMKTHKGTAKRWRRTGNTFKRGIAGRKHGNIGWSHRSLKALTGRKIAHPAYSKHLKRLLPYH

General information: TITO was launched using: RESULT: Template: 3J6B.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain Z - contact count / total energy / energy per contact / energy per residue : 148 -6752 -45.62 -108.90 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain Z : 0.73 3D Compatibility (PKB) : -45.62 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.411

(partial model without unconserved sides chains): PDB file : Tito_3J6B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J6B-query.scw PDB file : Tito_Scwrl_3J6B.pdb: