Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFLHGTSRQNQHGHLEIGGVDALYLAEKYGTPLYVYDVALIRERAKSFKQAFISAGLKAQVAYASKAFSSVAMIQLAEEEGLSLDVVSGGELYTAVAAGFPAERIHFHGNNKSREELRMALEHRIGCIVVDNFYEIALLEDLCKETGHSIDVLLRITPGVEAHTHDYITTGQEDSKFGFDLHNGQTERAIEQVLQSEHIQLLGVHCHIGSQIFDTAGFVLAAEKIFKKLDEWRDSYSFVSKVLNLGGGFGIRYTEDDEPLHATEYVEKIIEAVKENASRYGFDIPEIWIEPGRSLVGDAGTTLYTVGSQKEVPGVRQYVAVDGGMNDNIRPALYQAKYEAAAANRIGEAHDKTVSIAGKCCESGDMLIWDIDLPEVKEGDLLAVFCTGAYGYSMANNYNRIPRPAVVFV-ENGEAHLVVKRETYEDIVKLDLPFKTGVKQ 2YXX Chain:A ((7-382)) ------------------------VAEIHGTPTYVYFEETLRKRSRLVKEVF--EGVNLLPTFAVKANNNPVLLKILREEGFGMDVVTKGELLAAKLAGVPSHTVVWNGNGKSRDQMEHFLREDVRIVNVDSFEEMEIWRELNPE---GVEYFIRVNPEVDAKTHPHISTGLKKHKFGIPLEDLDS---FMERFRSMNIR--GLHVHIGSQITRVEPFVEA----FSKVVRASERYGF--EEINIGGGWGINYS--GEELDLSSYREKVVPDLKR--------FKRVIVEIGRYIVAPSGYLLLRVVLVKRRHN-KAFVVVDGGMNVLIRPALYSAYHRIFVLGKQGK--EMRADVVGPLCESGDVIAYDRELPEVEPGDIIAVENAGAYGYTMSNNYNSTTRPAEVLVRENGRISLIRRRETEMDIFK-----------

General information: TITO was launched using: RESULT: Template: 2YXX.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 : 2125 -232080 -109.21 -618.88 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -109.21 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.552

(partial model without unconserved sides chains): PDB file : Tito_2YXX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YXX-query.scw PDB file : Tito_Scwrl_2YXX.pdb: