Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------MCNRNVITIPYEEDMSKYSILHQVGGRIEYFQKEYSQYPMFAFD----SEEDYNEYKCLIMQLKKNKKVSSFSF----- 1XAU Chain:A ((12-115)) CEVQLNIKRNSKHSAWTGELFKIECPVKYCVHR-PNVTWCKHNGTIWVPLEVGPQLYTSWEENRSVPVFVLHFKPIHLSDNGSYSCSTNF--NSQVINSHSVTIHVR

General information: TITO was launched using: RESULT: Template: 1XAU.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 : 125 7413 59.30 110.63 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 59.30 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_1XAU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XAU-query.scw PDB file : Tito_Scwrl_1XAU.pdb: