Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRILSILVFAIMLAGCSSNASTEKQHAGGEKTVKAEPQSTSSQKDSTDDYQPNSQVTDDRTLHKVGQTFSDDKGKAVLKDIKQVNKTYKIGDVELTVKEMKLIHLRPDYSMIDYFHELTHDEEFDFVKVFVDIKNTSTKKVNVAP--I-A-LMKTNT---GETFDWNK---D---IYLEELNGELEGGAEKSGNLGFIVNASSGHAHDKAADAEKKTKEIKWIEITTSDVFDHNHKKISDAQKIKIKF 2LLG Chain:A ((14-116)) -------------------------------------------------------------------------------------NRTLLVPDGRLALTALHKGK---D------------YQGKPMFYVLFELTNTTEKTQNIQLMIQSFMEVSQTVHGKAQNLQYAVLTDSPFQDKLDRLADEINPGETIQGAYPYEFINE----------------------------------------------

General information: TITO was launched using: RESULT: Template: 2LLG.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 : 353 -7141 -20.23 -79.34 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -20.23 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.280

(partial model without unconserved sides chains): PDB file : Tito_2LLG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2LLG-query.scw PDB file : Tito_Scwrl_2LLG.pdb: