Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATAIENRARQLKNAKRGGYAPTIAKDVNKHKVQKIRRALDEARRYVSELNDETVIFDDQD---ARQKAEGAKAIIEMFEAALSGA 3BKS Chain:A ((42-111)) ---------------QEGKVVRSVVLDFNDLKISEIELAVTSTADYPAERIDASITIDDNDFYLVATKETSFAALIEQGKVDITG-

General information: TITO was launched using: RESULT: Template: 3BKS.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 3128 20.18 46.69 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 20.18 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.174

(partial model without unconserved sides chains): PDB file : Tito_3BKS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BKS-query.scw PDB file : Tito_Scwrl_3BKS.pdb: