Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEFTHLVNERRSASNFLSGHPITKEDLNEMFELVALAPSAFNLQHTKYVTVLDQDVKEKLKQAANGQYKVVSSSAVLLVLGDKQAYQQAADIYEGLKVLGILNKQEYDHMVQDTVSFYENRGEQF-KRDEA--IRNASLSAMMFMLSAKEKGWDTCPMIGFDAEAVKRILNID-DQFEVVMMITIGKEKTESRRPRGYRKPVNEFVEYM 3QDL Chain:A ((12-195)) ------LLNERHSCKMFDSHYEFSSTELEEIAEIARLSPSSYNTQPWHFVMVTDKDLKKQIAAHSYFNEEMIKSASALMVVCS----LRPSELLP-------------------------------MQRLESYILEQCYIAVGQICMGVSLMGLDSCIIGGFDPLKVGEVLEERINKPKIACLIALGKRVAEA-----------------

General information: TITO was launched using: RESULT: Template: 3QDL.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 : 669 -93473 -139.72 -631.57 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -139.72 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_3QDL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QDL-query.scw PDB file : Tito_Scwrl_3QDL.pdb: