Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRNQFDLELHELEQSFLGLGQLVLETASKALLALASKDKEMAELIINKDHAINQGQSAIELTCARLLALQQPQVSDLRFVISIMSSCSDLERMGDHMAGIAKAVLQLKENQLAPDEEQLHQMGKLSLSMLADLLVAFPLHQASKAISIAQKDEQIDQYYYALSKEIIGLMKDQETSIPNGTQYLYIIGHLERFADYIANICERLVYLETGELVDLN--------- 1SUM Chain:B ((2-225)) -NRLLNEKVEEFKKGVLKAGWFIEKMFRNSISSLVERNESLAREVIADEEVVDQMEVEIQEKAMEVLGLFSPIGKPLLTVTAGIRVAELIENIADKCHDIAKNVLELMEEPPLKPLEDIPAMANQTSEMLKFALRMFADVNVEKSFEVCRMDSKVDDLYEKVREELLLYMMESPKYVKRALLLLEIAGNIEIIADYATNIVEVSVYMVQGEAYKCYHDELLLFKK

General information: TITO was launched using: RESULT: Template: 1SUM.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 : 937 -136658 -145.85 -635.62 target 2D structure prediction score : 0.80 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -145.85 2D Compatibility (Sec. Struct. Predict.) : 0.80 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_1SUM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SUM-query.scw PDB file : Tito_Scwrl_1SUM.pdb: