Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKAITDATFEQETK-DGLVLVDFWATWCGPCRMQGPILDKLSEELSEDVLKIVKMDVDENPNTARAFGIMSIPTLLFKKDGQVVKQVAGVHTVEQIKAIIAELS 1NSW Chain:A ((5-103)) ----LTDANFQQAIQGDGPVLVDFWAAWCGPCRMMAPVLEEFAEAHADKV-TVAKLNVDENPETTSQFGIMSIPTLILFKGGRPVKQLIGYQPKEQLEAQLADV-

General information: TITO was launched using: RESULT: Template: 1NSW.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 : 410 -12225 -29.82 -124.74 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -29.82 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.678

(partial model without unconserved sides chains): PDB file : Tito_1NSW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NSW-query.scw PDB file : Tito_Scwrl_1NSW.pdb: