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

General information: TITO was launched using: RESULT: Template: 3WFE.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 : 78 -8705 -111.60 -202.43 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -111.60 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.62 QMean score : -0.048

(partial model without unconserved sides chains): PDB file : Tito_3WFE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WFE-query.scw PDB file : Tito_Scwrl_3WFE.pdb: