Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------MMEQGKDCREVVTQLAASRNAIDRAMGLIVSTNLEHCVRESLEKGEDTQNLVKEAVDLLVKSR------------------------------------- 4GA2 Chain:A ((2-145)) RRSKADVERYIASVQGSTPSPRQKSIKGFYFAKLYYEAKEYDLAKKYICTYINVQERDPKAHRFLGLLYELEEN---------TDKAVECYRRSVELNPTQKDLVLKIAELLCKNDVTDGRAKYWVERAAKLFPGSPAVYKLKEQLLDCEGED

General information: TITO was launched using: RESULT: Template: 4GA2.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 : 152 18525 121.88 343.06 target 2D structure prediction score : 0.85 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 121.88 2D Compatibility (Sec. Struct. Predict.) : 0.85 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_4GA2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GA2-query.scw PDB file : Tito_Scwrl_4GA2.pdb: