Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGQMFKVEIVTRPANFEKLKQELGKIGVTSLTFSNVHGCGLQKAHTELYRGVKIESNVYERLKIEIVVSKVPVDQVTETAKRVLKTGSPGDGKIFVYEISNTINIRTGEEGPEAL 4CO2 Chain:A ((7-112)) ----------IIKPFKLDEVREALTSLGIQGLTVSEVKGFGRQKGQTEIYRGAEYSVSFLPKVKVEVAVSDDQYEQVVEAIQKAANTGRIGDGKIFVLDIAQAVRIRTGETNTEAL

General information: TITO was launched using: RESULT: Template: 4CO2.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 : 347 -30562 -88.07 -288.32 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -88.07 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_4CO2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CO2-query.scw PDB file : Tito_Scwrl_4CO2.pdb: