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

General information: TITO was launched using: RESULT: Template: 1CQI.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 : 1972 -258793 -131.23 -672.19 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain E : 0.91 3D Compatibility (PKB) : -131.23 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_1CQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1CQI-query.scw PDB file : Tito_Scwrl_1CQI.pdb: