Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQYFSPEQQYNAWIVSDLVKQIFHKRAGCSPGIHELAVFAEEHFHIDIDFVFSIIMNIGDIEFALTDEIEKKLSGYLSTLLPYVTADMFETSKANAHAFLSRRHGNAAYHLFVSDDAFMRKQ 3WFB Chain:B ((20-62)) -------------------------------------------------FVFALILFVGQILFGLIMGLQYVVGDFLFPAIPFNVARMVHTN------------------------------

General information: TITO was launched using: RESULT: Template: 3WFB.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 : 77 -7571 -98.32 -176.06 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -98.32 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.62 QMean score : -0.006

(partial model without unconserved sides chains): PDB file : Tito_3WFB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WFB-query.scw PDB file : Tito_Scwrl_3WFB.pdb: