Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVKIQTSAGTIEITNDVIATVVGGAATDVFGVVGMASKNQIKDNITEILRKENYSRGVVVRQEDNGIAVDVYTIISYGTKISEVSRNVQEKVKYNLEALLGVTANSVNVFVQGVRVLPD 3BYP Chain:A ((33-85)) ----------------------------------------------------------LKTRRAGPRSFLEFHLVVRGDTPVEE-AHRLCDELERALAQAFPG-L-QATIHVEP------

General information: TITO was launched using: RESULT: Template: 3BYP.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 : 137 -22201 -162.05 -418.88 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -162.05 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_3BYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BYP-query.scw PDB file : Tito_Scwrl_3BYP.pdb: