Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNLDAEIYEHLNKQIKINELRYLSSGDDSDTFLCNEQYVVKVPKRDSVRISQKRELELYRFLE-NCKLSYQIPAVVYQ--SDRFNIMKY--IKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEIDCSVSLFSDALVNKKDKFLQDKKLLISILEKEQLLTDEMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIF-RNNRLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAPEVAERKAELNDVYWSIDQIIYGYERKDREMLIKDVSELLQTQAEMFIF 5IQB Chain:C ((20-291)) ---------EHYFDNFKVDSIEIIGSGYDSVAYLVNNEYIFKTKFS-----GYAKEKAIYNFLNTNLETNVKIPNIEYSYISDELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLD----YTDISECTIDNKQNVLEEYILLRETIYND--LTDIEKDYIESFMER-LNATTVFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGNIDIEKAKEYQDIVEEYYPIETIVYGIKNIKQEFI-----------------

General information: TITO was launched using: RESULT: Template: 5IQB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1152 19242 16.70 73.72 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : 16.70 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.418

(partial model without unconserved sides chains): PDB file : Tito_5IQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqb-query.scw PDB file : Tito_Scwrl_5IQB.pdb: