Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALTEYKIKVVDANNQPLLNFPMATRYVGSDKKNNKLTSDTDGVLTFQSDGRAVEVFVLAPIDKNGQPDMTKFKEDNDNDNAYYRITTINVSRNVPSSIKSPYLLTDYGIAKTKFIFYENEQDKKIYSVPLTVKVSYLVGETKTSPKFIEAIQEVKNGELNITSILHSRIQVHPFKPDNTPFKTPQGYTPRSTTPITLPVYFDIKSNNATTEPDEPSIDQPVKKVLCTCNRDITEAEFKLIT------KNKIAVTFLNALNEQFKKLN-----MNICLEKAHFIAQTLHETASYTLLEEGLKPG-------VQEKDVYDGYKGRGLMQITYKKNYEAYGKAVGENFLGENKHRVAKEKKHAVGSAIWYWNHSKAGNLSIYAI-KNDLIATTSLIN-----GGYNG-FDDRLQYYKKAVSAFNIKQCPNLEKKIINKLDDYTAFEDSYIYSKKAGESFGWGLWNDPKGGKHGKTANPVEAKKGYQRFLEMSKGVTFPFGYKLNKQKEKISRKRYGYSADSAKALAEKRVKEL 3HBE Chain:X ((3-204)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GGIISQSFFNGL-AGGAASSCEGKGFYTYNAFIAAANAY-SGFGTTGSNDVKKRELAAFFANVMHETGGLCYINEKNPPINYCQSSSTWPCTSGKSYHGRGPLQLSWNYNYGAAGKSIGFDGL-NNPEKVGQDSTISFKTAVWFWMKNS--NCHSAITSGQGFGGTIKAINSMECNGGNSGEVSSRVNYYKKICSQLGVDPGANVSC----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HBE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 846 32307 38.19 182.53 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain X : 0.60 3D Compatibility (PKB) : 38.19 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.419

(partial model without unconserved sides chains): PDB file : Tito_3HBE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HBE-query.scw PDB file : Tito_Scwrl_3HBE.pdb: