Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGNKDAIFKALGDSTRRLILDELSERNELTLYELTIRLITKYDLSITRQAIAKHLSVLEDAGLVTSKRKGKYRVLIFNNEPLKNLLKGWIE 4GGG Chain:A ((18-95)) -------IFKALGDYNRIRIMELLS------VSEASVGHIS-HQLNLSQSNVSHQLKLLKSAHVVKAKRQGQSMIYSLDDIHVATMLKQAIH

General information: TITO was launched using: RESULT: Template: 4GGG.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 : 274 -54998 -200.72 -705.10 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -200.72 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.688

(partial model without unconserved sides chains): PDB file : Tito_4GGG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GGG-query.scw PDB file : Tito_Scwrl_4GGG.pdb: