Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRFASKEEEKLYYEHKASEEEFLNWYQKQERPEYDKPSLTVDIVLMCYNKEEDQLKVLLIQRKGHPYRNSWALPGGFVQK--DESTGESVLRETKEETGVVISKENIEQLHTFSTPNRDPRGWVVTVSYLAFIGEEPL-IAGDDAKEVRWFTLERHSNKIHLSSGEVAISLDLVTGESSGKDTLAFDHSQIILKAFNRVVNKMEHEPQVLQVLGKDFTITEARKVFAKFLGIDYKTIDHSNFKKAMLQYFDEIGERPVGIGRPSKIYQLKPGHHE 3GZ8 Chain:C ((18-158)) ----------------------------------FKAQLLTVDAVLFTYHD--QQLKVLLVQRSNHPFLGLWGLPGGFIDETCDESLEQTVLRKLAEKTAVVPPY--IEQLCTVGNNSRDARGWSVTVCYTALMSYQACQIQIASVSDVKWWPLADVLQ-----------------------MPLAFDHLQLIEQARERLTQ--------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GZ8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 691 -37396 -54.12 -270.99 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.71 3D Compatibility (PKB) : -54.12 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_3GZ8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GZ8-query.scw PDB file : Tito_Scwrl_3GZ8.pdb: