Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLILMGLPGAGKGTQAEKIIDAYGIPHISTGDMFRAAMQNETALGLEAKSYMDKGALVPDEVTNGIVKERLAEPDTEKGFLLDGFPRTLDQAKALDAMLKDLNKKIDAVIDIHVGEEILVERLAGRFICSNCGATYHKIFNPTKVEDTCDRCGGHEFYQREDDKPETVKNRLAINIKNSEPILAYY-KEQGLLNT----IDGAREIDAVFADVQKIIEK 3X2S Chain:A ((1-213)) MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDCGKLVTDELVIALVKERIAQEDSRNGFLLDGFPRTIPQADA----MKEAGINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGK-DDVTGEELTTRKDDQEETVRKRLCEYHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKIL--

General information: TITO was launched using: RESULT: Template: 3X2S.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 : 1007 -48853 -48.51 -234.87 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -48.51 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_3X2S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3X2S-query.scw PDB file : Tito_Scwrl_3X2S.pdb: