Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGTLPMLVMFIALLAMWFFMSRSQKKQQQERQNLLDSMKPGDSVVTIGGLHGVVSEIDNDKRTVVLDCEGIFLEYDRAAIKTVKPGTVVTNDATTTVETTEEPAETVEVKTETTETLEETEEKEEK 4HET Chain:A ((248-312)) --------------------------------------KPQEGVRDKCDIYAVMYEAENN--SVMLNGDDVFTSDKLVSLARIKPEDVVESDQWTDFEIPFEPVK---------------------

General information: TITO was launched using: RESULT: Template: 4HET.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 : 144 -17718 -123.04 -272.58 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -123.04 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.298

(partial model without unconserved sides chains): PDB file : Tito_4HET.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HET-query.scw PDB file : Tito_Scwrl_4HET.pdb: