Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLILMGLPGAGKGTQAEKIIDAYGIPHISTGDMFRAAMQNETALGLEAKSYMDKGALVPDEVTNGIVKERLAEPDTEKGFLLDGFPRTLDQAKALDAMLKDLNKKIDAVIDIHVGEEILVERLAGRFICSNCGATYHKIFNPTKVEDTCDRCGGHEFYQREDDKPETVKNRLAINIKNSEPILAYYKEQ-----GLLNTIDGAREIDAVFADVQKIIEK 4X8O Chain:B ((1-214)) MRIILLGAPGAGKGTQAQFIMEKYGIPQISTGDMLRAAVKSGSELGKQAKDIMDAGKLVTDELVIALVKERIAQEDCRNGFLLDGFPRTIPQADAMKEA----GINVDYVLEFDVPDELIVDRIVGRRVHAPSGRVYHVKFNPPKVEGKDDVTGEE-LTTRKDDQEETVRKRLVEWHQMTAPLIGYYSKEAEAGNTKYAKVDGTKPVAEVRADLEKILG-

General information: TITO was launched using: RESULT: Template: 4X8O.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 : 1012 -45027 -44.49 -215.44 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -44.49 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.502

(partial model without unconserved sides chains): PDB file : Tito_4X8O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4X8O-query.scw PDB file : Tito_Scwrl_4X8O.pdb: