Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRNQFDLELHELEQSFLGLGQLVLETASKALLALASKDKEMAELIINKDHAINQGQSAIELTCARLLALQQPQVSDLRFVISIMSSCSDLERMGDHMAGIAKAVLQLKENQLAP-DEEQLHQMGKLSLSMLADLLVAFPLHQASKAISIAQKDEQIDQYYYALSKEIIGLMKDQETSIPNGTQYLYIIGHLERFADYIANICERLVYLETGELVDLN 1SUM Chain:B ((2-215)) -NRLLNEKVEEFKKGVLKAGWFIEKMFRNSISSLVERNESLAREVIADEEVVDQMEVEIQEKAMEVLGLFSPIGKPLLTVTAGIRVAELIENIADKCHDIAKNVLELMEE-PPLKPLEDIPAMANQTSEMLKFALRMFADVNVEKSFEVCRMDSKVDDLYEKVREELLLYMMESPKYVKRALLLLEIAGNIEIIADYATNIVEVSVYMVQGEAYKC-

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 : 920 -81276 -88.34 -381.58 target 2D structure prediction score : 0.82 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -88.34 2D Compatibility (Sec. Struct. Predict.) : 0.82 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.596

(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: