Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMLEQLIQLKQDLIDGSKVEKPSLDDKQIDEMDILVSEALEFNKELKFKLFNKGFVENVTGRVHYINFEQQKLHVKDQNDNTVYINMNNIIRVIYND 3AHU Chain:A ((14-53)) ---------------------------------QFLNQIRKENTYVTVFLLNG---FQLRGQVKGFD--NFTVLLESE-------------------

General information: TITO was launched using: RESULT: Template: 3AHU.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 : 90 -12531 -139.23 -313.26 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -139.23 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.694

(partial model without unconserved sides chains): PDB file : Tito_3AHU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AHU-query.scw PDB file : Tito_Scwrl_3AHU.pdb: