Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEAQEIIRYIQTASKKTPVKVYLNVTEPIEFKESKVFGEGSSFVVFGDYETIAPVLEAESEKIIEIEIETAARYSAVPLLDIKKINARIEPGAIIRDQVSIGNNAVIMMGAIINIGAVIGENTMIDMGAVLGGRATVGKNCHIGAGAVLAGVIEPASAKPVIVEDGVLVGAN------------AVIVEGVHIGKDAVVA---AGAVVLEDVAAETVV--GGIPARVLKISDDQTKENTALIAALREL 3GOS Chain:A ((106-249)) ---------------------------------------------------------------------------------------RVVPPATVRKGAFIARNTV-LMPSYVNIGAFVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFVGARSEVVEGVIVEEGSVISMGVFIGQSTRIYDRETGEVHYGRVPAGSVVVSGNLPSK----------------------

General information: TITO was launched using: RESULT: Template: 3GOS.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 : 671 -122230 -182.16 -1010.17 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -182.16 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_3GOS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GOS-query.scw PDB file : Tito_Scwrl_3GOS.pdb: