Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKQTIIVMSDSHGDSLI---VEEVRDRYV-GKVDAVFHNGDSELRPDSPLWE----GIRVVKGNMDFYAGY---------PERLVTELGSTKIIQTHGHLFDINFNFQKLDYWAQEEEAAICLYGHLHVPSAWMEGKILFLNPGSISQPRGT---IRECLYARVEIDDSYFKVDFLTRDHEVYPGLSKEFSR 2A22 Chain:B ((5-196)) -FGDLVLLIGDLKIPYGAKELPSNFRELLATDKINYVLCTGNVCSQEYVEMLKNITKNVYIVSGDLDSAIFNPDPESNGVFPEYVVVQIGEFKIGLMHGNQVLPWDDPGSLEQWQRRLDCDILVTGHTHKLRVFEKNGKLFLNPGTATGAFSALTPDAPPSFMLMALQGNKVVLYVYDLRDGKTNVAMSEFSK

General information: TITO was launched using: RESULT: Template: 2A22.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 : 945 7730 8.18 44.94 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 8.18 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_2A22.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A22-query.scw PDB file : Tito_Scwrl_2A22.pdb: