Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------DCTIERRLGTQTKARARTSAKAMPEMIPAESGKHTVIAGTRVWVYGDCRTYP-THLPDGSTISGRPFQASDVEEDC----------------------------------------------------------- 1XAT Chain:? ((3-210)) NYFESPFRGKLLSEQVSNPNIRVGRYSYYSGYYHGHSFDDCARYLMPDRDDVDKLVIGSFCSIGSGAAFIMAGNQGHRAEWASTFPFHFMHEEPAFAGAVNGYQPAGDTLI-GHEVWIGTEAMFMPGVRVGHGAIIGSRALVTGDVEPYAIVGGNPARTIRKRFSDGDIQNLLEMAWWDWPLADIEAAMPLLCTGDIPALYQHWKQRQA

General information: TITO was launched using: RESULT: Template: 1XAT.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 : 305 2033 6.66 27.47 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 6.66 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.187

(partial model without unconserved sides chains): PDB file : Tito_1XAT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XAT-query.scw PDB file : Tito_Scwrl_1XAT.pdb: