Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIAAYLVLINLCGFWVMGIDKRKAQQHKWRISEDRLWLIAIVFGALGVWLGMQTFRHKTKHASFKYGVPLLLVIEAILIAIYYSPFDL 4M44 Chain:B ((12-30)) -------------------------------------------GGWEGMIAGWHGYTSHGAH---------------------------

General information: TITO was launched using: RESULT: Template: 4M44.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 12 -674 -56.13 -35.45 target 2D structure prediction score : 0.11 Monomeric hydrophicity matching model chain B : 0.44 3D Compatibility (PKB) : -56.13 2D Compatibility (Sec. Struct. Predict.) : 0.11 1D Compatibility (Hydrophobicity) : 0.44 QMean score : 0.104

(partial model without unconserved sides chains): PDB file : Tito_4M44.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M44-query.scw PDB file : Tito_Scwrl_4M44.pdb: