Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAREQGVVKWFNDTKGFGFIQRNGGDDVFVHFRAIVGDGHRSLRDGQRVEFSVVQGQKGFQAENVQPLD 2ES2 Chain:A ((3-63)) -----EGKVKWFNSEKGFGFIEVEGQDDVFVHFSAIQGEGFKTLEEGQAVSFEIVEGNRGPQAANV----

General information: TITO was launched using: RESULT: Template: 2ES2.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 : 256 -40360 -157.66 -661.64 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -157.66 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.531

(partial model without unconserved sides chains): PDB file : Tito_2ES2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ES2-query.scw PDB file : Tito_Scwrl_2ES2.pdb: