Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEAEVLKYEAFTSSPGKGNPAGVVLQG-DDYTE---------------DEMQIIAERAGYSETS---FIRKSE--SADLELRYFTPGHEMNLCGHATVASLYALCEKGMLESGKTYSIQTKAGILPVKISEKDGRIHITLEQASPQFKPFTGDRKKLADALGITDEDFHEDLPIVFGSTGIWTAIVPLKS----LEASKKMVPDNKQFPEVLVDL--------PKASVHPFTFETVHPDSDLHGRHFSS-PYSGTIEDPVTGTAS-GVMGAYMKHYGNAEQHKFIIEQGQEIGKDGKVEIEMNEAGGHV-KVNMTGTAVYSETRILKI 4JUU Chain:A ((27-322)) ----------DVIDSHTAGEPTRVVLAGFPDLGDGDLAQCRERFRSDFDHWRSAIACEPRGSDTMVGALLLPPRDPSACTGVIFFNNVGYLGMCGHGTIGVVRTLAELGRIAP-GQHRIETPVGTVGVALADD---GTVSIDNV-ESYRHAA-GVEV--D---VPG--H-GRVRGDVAWGGNWFFITEQAPCALGLAQQRELTAYTEAIRLALEAAGITGEAGGEIDHIEISGVA---PDGSGAARNFVLCP-GLAYDRSPCGTGTSAKLACLAAD-GKLAEGERWLQQGIL---GSAFEGSYRHS-GRGIAPRISGHAFITARSQLLI

General information: TITO was launched using: RESULT: Template: 4JUU.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 : 1487 -96800 -65.10 -372.31 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -65.10 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.308

(partial model without unconserved sides chains): PDB file : Tito_4JUU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JUU-query.scw PDB file : Tito_Scwrl_4JUU.pdb: