Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MNHLPEKMRPYRDL---------LEKSAKEYVKLNVRKGKTGRYDSKIA---GDPYFPKHETYPTDENGQPM-------KLLAQINFSHIPQLDGYPSSGILQFYISVHDDVYGLNFDDRCEQKNFRVIYFENIVENDDELVSDFSFIGTGECDFPILSEAAVEPVKSSEWVLPTDFQFEQYTGMETMEFFGQFGEDEEDIYNELAENGFGHKIGGYASFTQHDPREYAYKEHTIMLLQIDSDDDIDSMWGDVGIANFFITPEDLRKKDFSNVLYNWDCS 4XA7 Chain:A ((4-229)) QQKANAVLDKQSKIIEVAGIDAEGKKVPELFAEYIEPRLVDFKTGDFVEKAEDGSTAANYDQRKAAKDPAESIKLTADEDKAKILRRANTGIVYLVK--SGDDISKVIIPVHGN--GL----------WSMMYAFVAVETDGNTVSGITYYEQGE------TPGLGGEVENPAWRA-------QFVGKK---LFDENHKPAIKIVKGGAPEGSEHGVDGLSG---------------ATLTGNGVQGTFDFWLGDMGFGPFL---AKVRDGGLN---------

General information: TITO was launched using: RESULT: Template: 4XA7.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 : 933 47193 50.58 231.34 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 50.58 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.217

(partial model without unconserved sides chains): PDB file : Tito_4XA7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XA7-query.scw PDB file : Tito_Scwrl_4XA7.pdb: