Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------MEMFDLEF--MRRAFLAGGMIAVMAPILGVYLVLRRQALMADTLSHISLS---GVAIGFFLSTNITAAS----IVVVTIGAIGIEYMRRAYRT-------------YSEVSIAILMAAGL------SFAMFLISLSKGTANMSIDQYLFGSLVTVNQQQVYII-SIITLLILLYF----IVLRRPLYLLTFDEATAKTSGINTNVLSLSFSIV-----TGLAISVIIPIIGVLLVSALLVLPAAFAIRIAKGFNMVF----ITAILISLF-------SVFTGLTSSYQLGTPPGPSITLLLIVLLLIGFAVQGVWTFIKKEAQRKKRSR------------- 2SCU Chain:B ((1-385)) MNLHEYQAKQLFARYGLPAPVGYACTTPREAEEAASKIGAGPWVVKCQVHAGGRGKA------GGVKVVNSKEDIRAFAENWLGKRLVTYQTDANGQPVNQILVEAATDIAKELYLGAVVDRSSRRVVFMASTEGGVEIEKVAEETPHLIHKVALDPLTGPMPYQGRELAFKLGLEGKLVQQFTKIFMGLATIFLERDLALIEINPLVITKQGDLICLDGKLGADGNALFRQPDLREMRDQSQEDPREAQAAQWELNYVALDGNIGCMVNGAGLAMGTMDIVKLHGGEPANFLDVGGGATKERVTEAFKIILSDDKVKAVLVNIFGGIVRCDLIADGIIGAVAEVGVNVP------VVVRLEGNNAELGAKKLADSGLNIIAAKGLTDAAQQVVAAV

General information: TITO was launched using: RESULT: Template: 2SCU.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 : 1068 -211853 -198.36 -790.49 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -198.36 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_2SCU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2SCU-query.scw PDB file : Tito_Scwrl_2SCU.pdb: