Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGHRLSKIYTRTGDSGTTGLGDGSRVAKDDLRIAALGDVDELNAIIGVLRAQI-TDSQVANKADWDKSLSLIQHWLFDLGGEVCIP------NYNLLQPVCIEFLEKEIDCMNEDLPMLKEFILPSGSLSCSYAHQARAVCRRAERSLMSVQSCDQNIQATALQLLNRLSDWLFVASRALQRAEGGQEVLWQKNINEMI 3GAH Chain:A ((8-187)) ------KIYTKNGDKGQTRIIGKQILYKNDPRVAAYGEVDELNSWVGYTKSLINSHTQVLS-----NELEEIQQLLFDCGHDLATPADDERHSFKFKQEQPTVWLEEKIDNYTQVVPAVKKHILPGGTQLASALHVARTITRRAERQIVQLMREEQ-INQDVLIFINRLSDYFFAAARYANYLEQQPDMLYR-------

General information: TITO was launched using: RESULT: Template: 3GAH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 718 -42444 -59.11 -245.34 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -59.11 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_3GAH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GAH-query.scw PDB file : Tito_Scwrl_3GAH.pdb: