Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEKEFRRNMAVFPIGSVMKLTDLSARQIRYYEDQELIKPDRNEGNRRMYSLNDMDRLLEIKDYISEGYNIAAIKKKYAEREAKSKKAVSQTEVRRALHNELLQQGRFASVQSPFGRG 4R4E Chain:B ((5-83)) -----IRRSMPLFPIGIVMQLTELSARQIRYYEENGLIFPARTEGNRRLFSFHDVDKLLEIKHLIEQGVNMAGIKQILAKAEAE----------------------------------

General information: TITO was launched using: RESULT: Template: 4R4E.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 : 250 -38176 -152.70 -483.23 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -152.70 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.732

(partial model without unconserved sides chains): PDB file : Tito_4R4E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R4E-query.scw PDB file : Tito_Scwrl_4R4E.pdb: