Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MLMSNHLIKHFQKGKRMQLATKSFLGLCLICSTAGAVEPAATPATPPTAASTQNAKPAPTSATVAKPATTTAPTTTQ-PLTAEQIAKNKQQQDAKIKALVQDQASRLKQLEHA--------NLEALAQNQELQLKNDNLSVQVQVLQSERSAQMFLYGAVTLAGGVLLGFFIAS-----YVYTKRRRQW- 1CQQ Chain:A ((1-180)) GPEEEFGMSLIKHN--SCVITTENGKFTGLGVYDR---------FVVVPTHADPGKEIQVDGITTKVIDSYDLYNKNGIKLEITVLKLDRNEKFRD--IRRYIPNNEDDYPNCNLALLANQPEPTIINVGDVVSYGNILLSGNQTARMLKYSYPTKSGYCGGVLYKIGQVLGIHVGGNGRDGFSAMLLRSYFT

General information: TITO was launched using: RESULT: Template: 1CQQ.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 : 831 5931 7.14 36.61 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 7.14 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.188

(partial model without unconserved sides chains): PDB file : Tito_1CQQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1CQQ-query.scw PDB file : Tito_Scwrl_1CQQ.pdb: