Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKTAFLFAGQGAQYLGMGRDFYDQYPIVKETIDRASQVLGYDLR-YLIDTEEDKLNQTRYTQPAILATSVAIYRLLQEKGYQPDMVAGLSLGEYSALVASGALDFEDAVALVAKRGAYMEEAAPADSGKMVAVLNTPVEVIEEACQKASELGVVTPANYNTPAQIVIAGEVVAVDRAVELLQEAGAKRLIPLKVSGPFHTSLLEPASQKLAETLAQVSFSDFTCPLVGNTEAA-VMQKEDIAQLLTRQVKEPVRFYESIGVMQEAGISNFIEIGPGKVLSGFVKKIDQTAHLAHVEDQASLVALLEK 3IM8 Chain:A ((3-306)) --KTAFLFAGQGAQYLGMGRDFYDQYPIVKETIDRASQVLGYDLRYLIDT-EEDKLNQTRYTQPAILATSVAIYRLLQEKGYQPDMVAGLSLGEYSALVASGALDFEDAVALVAKRGAYMEEAAPADSGKMVAVLNTPVEVIEEACQKASELGVVTPANYNTPAQIVIAGEVVAVDRAVELLQEAGAKRLIPLKVSGPFHTSLLEPASQKLAETLAQVSFSDFTCPLVGNTEAAVMQK-EDIAQLLTRQVKEPVRFYESIGVMQEAGISNFIEIGPGKVLSGFVKKIDQTAHLAHVEDQASLVALLEK

General information: TITO was launched using: RESULT: Template: 3IM8.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 : 1821 1863 1.02 6.17 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.98 3D Compatibility (PKB) : 1.02 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.98 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_3IM8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IM8-query.scw PDB file : Tito_Scwrl_3IM8.pdb: