Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELNPTEKDKLLIFTAGLVAERRKARGLKLNYPEAVAFISAALLEGARDGMTVSELMHFGTTLLKRKDVMDGVPEMIAEVQVEATFPDGSKLVTVHQPIV 1KRB Chain:A ((1-100)) MELTPREKDKLLLFTAALVAERRLARGLKLNYPESVALISAFIMEGARDGKSVASLMEEGRHVLTREQVMEGVPEMIPDIQVEATFPDGSKLVTVHNPII

General information: TITO was launched using: RESULT: Template: 1KRB.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 : 377 -53067 -140.76 -530.67 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.94 3D Compatibility (PKB) : -140.76 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_1KRB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KRB-query.scw PDB file : Tito_Scwrl_1KRB.pdb: