Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIYGVYMDRPLSAGEEDRMMAAVSAEKREKCRRFYHKEDAHRTLIGDMLIRTAAAKAYGLDPAGISFGVQEYGKPYIPALPDMHFNISHSGRWIVCAVDSKPIGIDIEKMKPGTIDIAKRFFSPTEYSDLQAKHPDQQTDYFYHLWSMKESFIKQAGKGLSLPLDSFSVRLKDDGHVSIELPDGHEPCFIRTYDADEEYKLAVCAAHPDFCDGIEMKTYEELL 4UOJ Chain:A ((456-562)) ---------------DSDDFKANVVGEITYNVRRLNHHASLACWMGGNEFENLMLPIAQGADPATYPYVLGQYENLFITTLFNVLAANSHSISYSPCSANNGWLEIDLDLPVP----IVERYYNTT--------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4UOJ.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 : 350 -39550 -113.00 -369.63 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -113.00 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.158

(partial model without unconserved sides chains): PDB file : Tito_4UOJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UOJ-query.scw PDB file : Tito_Scwrl_4UOJ.pdb: