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

General information: TITO was launched using: RESULT: Template: 1JLL.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 : 2151 -272508 -126.69 -707.81 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain E : 0.91 3D Compatibility (PKB) : -126.69 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_1JLL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JLL-query.scw PDB file : Tito_Scwrl_1JLL.pdb: