Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTEFKTEKEKMIAGELYFANDPELVADRMFARSQSQIINQAESAELRSQLLKETFGRTGKKIYMEPVINFDYGYNIFVGENFYANFNCTFLDVSTIEIGDNCMFAPNVQLYTATHPLHPVKRNSGLEYAKPIKIGNNVWLGGGVIVTPGVTLGDNVVVGAGSVVTKSFPDNVVIAGNPARIIKTVEEELTEESLETLRHKIDMIDRELVALLEKRMDTVTKIGQVKKEENQAVYDAKREQQVLDKVVSLLKNKGYKETITDTYVDLMKHSREYQNKMKEE 3NZ2 Chain:J ((4-187)) --MKMSELEKMLKGEHFDGASAEIEALRSQAGRLKLEINQSLDEAERYALQRELFGHLGHKSCVQPPFHCEFGKTIRIGDHTFINMNVVMLDGAPITIGDHVLIGPSTQFYTASHSLDYRRRQAWETICKPIVIEDDVWIGGNVVINQGVTIGARSVVAANSVVNQDVPPDTLVGGTPARILRSLK----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NZ2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 951 -125261 -131.72 -680.77 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain J : 0.71 3D Compatibility (PKB) : -131.72 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_3NZ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NZ2-query.scw PDB file : Tito_Scwrl_3NZ2.pdb: