Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNKKNLGIGGIIVLLIAAYLGLDLSGHKNNPTPSSIPVNQRTETTFSNDGVDTIKAAYERRQSNVQVQGSGRVKAILREDNDGSRHQKFILVLKNGLSILVAHNIDLAPKIEDLRKGDIVEFNGEYE---YNEKGGVLH---WTHHDPQNRHENGWLKHNGRIYQ 4FDB Chain:A ((57-97)) ----------------------------------------------------------------------------------------------------------KMASVLDRIAPGTVLDCVGFLARKH---KALVFHISGLEHH-------------------

General information: TITO was launched using: RESULT: Template: 4FDB.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 : 42 -3331 -79.31 -104.09 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -79.31 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.756

(partial model without unconserved sides chains): PDB file : Tito_4FDB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FDB-query.scw PDB file : Tito_Scwrl_4FDB.pdb: