Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNVPEAPLADPWLAYFAERGHRDVRRVGAGVEGVVYRLGEGRVAKVWSGRPP-AEFELTREVYADLARHPLPFAVPEIFDVEHHEGVLVTYERELPGVSMRADSAQANYERKLPTRDSDALLAVLRGLASVPGTDAMRRLTVQGDDRPLWRDHDDFRDALAALVARAVTRHGA--ALARCVPDFAAGVERTQKALRS--LPDAPVAAIHGDLVPPNIHIDAAGRPVAVLDFGFHTTAGDPAFEAAVTAAIWD-MYGPHAAEHTEELTRLCAHELGYA-PATLTTYQAAYALTTYDLFGLGDDDGHFRWCAEQLRRNAVFTA 4DCA Chain:A ((25-302)) ---LDAEIYEHLNK----QIKINELRYLSSGDDSDTFLCNEQYVVKVPKRDSVRISQKRELELYRFLENCKLSYQIPAVVYQS----DRFNIMKYIKGERITYEQYHKLS-EKEKDALAYDEATFLKELHSIEIDCSVSLFS---DAL-----VNKKDKFL-QDKKLLISILEKEQLLTDEM--LEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIFRN-NRLFGVIDFGD-FNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQH-KA--PEVAERKAELNDVYWSIDQIIYGYERKDREM----------------

General information: TITO was launched using: RESULT: Template: 4DCA.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 : 1140 -7473 -6.55 -27.57 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -6.55 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.310

(partial model without unconserved sides chains): PDB file : Tito_4DCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dca-query.scw PDB file : Tito_Scwrl_4DCA.pdb: