Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MESVYRQERKSNRKKGQMMIQKTRVMLYVNDVEMICRFFVEKIGAEISETIELPEEFKSIVLSISKELELGVFPKVFVQKFSPEVLGPPPSLVFFT---DEFETIYENMEEPG--------EITDNNGILTFNFSDPEGNYFVIGKAESSD 3SK2 Chain:A ((1-132)) --------GSHMTDLAGPTITPNLQLVYVSNVERSTDFYRFIFKKEPVFVTP-----RYVAFPSSGDALFAIWSG---GEEPVAEIPRFSEIGIMLPTGEDVDKLFNEWTKQKSHQIIVIKEPYTDVFGRTFLISDPDGHIIRVCPLD---

General information: TITO was launched using: RESULT: Template: 3SK2.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 : 345 -42454 -123.05 -350.86 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -123.05 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_3SK2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SK2-query.scw PDB file : Tito_Scwrl_3SK2.pdb: