Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLHEYQAKALLKEYGMPVQEGILATNADEAVAAFEQLGGKFAVMKAQVHAGGRGKAGGVKVAKSKEDVIEFANNIIRTRLVTYQTDANGQPVNSIIVAEDVYPVERELYLGAVVDRSSRRITFMASTEGGVEIEKVAEETPEKIIKVEVDPLVGLQPFQAREVAFALGLKDKQIGQFVKIMTAAYQAFVENDFALFEINPLSVRENGEILCVDAKVGIDSNALYRLPKVAALRDKSQENERELKASEFDLNYVALEGNIGCMVNGAGLAMATMDIIKLYGGQPANFLDVGGGATKERVIEAFKIILADTSVQGVLINIFGGIVRCDMIAEAIIAAVQEVNVTVPVVVRLEGNNAELGAKLLDESGLKLISANGLSDAAEKVVAAVKA 2NU7 Chain:B ((1-386)) MNLHEYQAKQLFARYGLPAPVGYACTTPREAEEAASKIGAGPWVVKCQVHAGGRGKAGGVKVVNSKEDIRAFAENWLGKRLVTYQTDANGQPVNQILV-EAATDIAKELYLGAVVDRSSRRVVFMASTEGGVEIEKVAEETPHLIHKVALDPLTGPMPYQGRELAFKLGLEGKLVQQFTKIFMGLATIFLERDLALIEINPLVITKQGDLICLDGKLGADGNALFRQPDLREMRDQSQEDPREAQAAQWELNYVALDGNIGCMVNGAGLAMGTMDIVKLHGGEPANFLDVGGGATKERVTEAFKIILSDDKVKAVLVNIFGGIVRCDLIADGIIGAVAEVGVNVPVVVRLEGNNAELGAKKLADSGLNIIAAKGLTDAAQQVVAAVE-

General information: TITO was launched using: RESULT: Template: 2NU7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2207 -277502 -125.74 -718.92 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.91 3D Compatibility (PKB) : -125.74 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.569

(partial model without unconserved sides chains): PDB file : Tito_2NU7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NU7-query.scw PDB file : Tito_Scwrl_2NU7.pdb: