Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLHEYQAKALLKEYGMPVQEGILATNADEAVAAFEQLGGKFAVMKAQVHAGGRGKAGGVKVAKSKEDVIEFANNIIRTRLVTYQTDANGQPVNSIIVAEDVYPVERELYLGAVVDRSSRRITFMASTEGGVEIEKVAEETPEKIIKVEVDPLVGLQPFQAREVAFALGLKDKQIGQFVKIMTAAYQAFVENDFALFEINPLSVRENGEILCVDAKVGIDSNALYRLPKVAALRDKSQENERELKASEFDLNYVALEGNIGCMVNGAGLAMATMDIIKLYGGQPANFLDVGGGATKERVIEAFKIILADTSVQGVLINIFGGIVRCDMIAEAIIAAVQEVNVTVPVVVRLEGNNAELGAKLLDESGLKLISANGLSDAAEKVVAAVKA 2NU6 Chain:E ((1-385)) MNLHEYQAKQLFARYGLPAPVGYACTTPREAEEAASKIGAGPWVVKCQVHAGGRGKAGGVKVVNSKEDIRAFAENWLGKRLVTYQTDANGQPVNQILV-EAATDIAKELYLGAVVDRSSRRVVFMASTEGGVEIEKVAEETPHLIHKVALDPLTGPMPYQGRELAFKLGLEGKLVQQFTKIFMGLATIFLERDLALIEINPLVITKQGDLICLDGKLGADGNALFRQPDLREMRDQSQEDPREAQAAQWELNYVALDGNIGCMVNGAGLAMGTMDIVKLHGGEPANFLDVGGGATKERVTEAFKIILSDDKVKAVLVNIFGGIVRCDLIADGIIGAVAEVGVNVPVVVRLEGNNAELGAKKLADSGLNIIAAKGLTDAAQQVVAAV--

General information: TITO was launched using: RESULT: Template: 2NU6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 2188 -272167 -124.39 -706.93 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain E : 0.91 3D Compatibility (PKB) : -124.39 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.576

(partial model without unconserved sides chains): PDB file : Tito_2NU6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NU6-query.scw PDB file : Tito_Scwrl_2NU6.pdb: