Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MKCIQI------EMSFTDEYGQVTRLNKTYKPSII-----EEHKGEIPRLLLDDFKRFLSSLGFNEKQVSRIVTED----------------------------------- 4AKA Chain:A ((19-124)) GADSCKYCLQLYDETYERGSYIEVYKSVGSLSPPWTPGSVCVPFVNDTKRERPYWYLFDNVNY----------TGRITGLGHGTCIDDFTKSGFKGISSIKRCIQTKDGKVECINQ

General information: TITO was launched using: RESULT: Template: 4AKA.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 : 146 5237 35.87 95.22 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 35.87 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_4AKA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AKA-query.scw PDB file : Tito_Scwrl_4AKA.pdb: