Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNLDAEIYEHLNKQIKINELRYLSSGDDSDTFLCNEQYVVKVPKRDSVRISQKRELELYRFLE-NCKLSYQIPAVVYQ--SDRFNIMKY--IKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSLFSDALVNKKDKFLQDKKLLISILEKEQLLTDEMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIF-RNNRLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAPEVAERKAELNDVYWSIDQIIYGYERKDREMLIKDVSELLQTQAEMFIF 6CGG Chain:A ((20-291)) ---------EHYFDNFKVDSIEIIGSGYDSVAYLVNNEYIFKTKFSTN--KGYAKEKAIYNFLNTNLETNVKIPNIEYSYISDELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLD----YTDISECTIDNKQNVLEEYILLRETIYND--LTDIEKDYIESFMER-LNATTVFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGNIDIEKAKEYQDIVEEYYPIETIVYGIKNIKQEFI-----------------

General information: TITO was launched using: RESULT: Template: 6CGG.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 : 1183 28338 23.95 107.34 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 23.95 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_6CGG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6cgg-query.scw PDB file : Tito_Scwrl_6CGG.pdb: