Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDATDELATLIARGLGVLRPKRLHAGAEAVAYELDDARVLKVYHAGGSAERFATIASFYARLNSD-RAGFAVPRILTHGVEGGRAYSVEKRLLGEPLSTRAHFLTDTDLIDAYLAAALRVGRIQVEPEWN----SWTMFGEQRHG-DWHQHVRGQIESQSRALAR--MLQPAYWERLANATADVRQHF------DRPFLGKVCLIHGDFHPGNVLVGATGRVLSLVDFGAFTTFGDAAFDVATACGYFSMYEPDQATTRRSLVARLLRMEGSPPGALVAMYLKLAAFLTCTAYPDDRVAVQDTGHFQWAMSVLFDPMLDELVDRVPH 5IQA Chain:A ((36-257)) -------------------------SGYDSVAYLVNNEYIFKTKFSTNKKKGYAKEKAIYNFLNTNLETNVKIPNIEYSYI------SDELSILGYK-EIKGTFLTP------------EIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTIDNKQNVLEEYILLRETIYNDLTDIEKDYIESFMERLNATTVFEGKKCLCHNDFSCNHLLLDGNNRLTGIID------FGDSGI-IDEYCDFIYLLEDSEEEIGTNFGEDILRMYGN-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IQA.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 : 788 21047 26.71 101.19 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 26.71 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.224

(partial model without unconserved sides chains): PDB file : Tito_5IQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqa-query.scw PDB file : Tito_Scwrl_5IQA.pdb: