Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLILMGLPGAGKGTQAEKIIDAYGIPHISTGDMFRAAMQNETALGLEAKSYMDKGALVPDEVTNGIVKERLAEPDTEKGFLLDGFPRTLDQAKALDAMLKDLNKKIDAVIDIHVGEEILVERLAGRFICSNCGATYHKIFNPTKVEDTCDRCGGHEFYQREDDKPETVKNRLAINIKNSEPILAYYKEQGLLNTIDGAREIDAVFADVQKIIEK 4JLA Chain:A ((1-202)) MILVFLGPPGAGKGTQAKRLAKEKGFVHISTGDILREAVQKGTPLGKKAKEYMERGELVPDDLIIALIEEVFPK---HGNVIFDGFPRTVKQAEALDEMLEKKGLKVDHVLLFEVPDEVVIERLSGRRINPETGEVYHVKYNPP--------PPGVKVIQREDDKPEVIKKRLEVYREQTAPLIEYYKKKGILRIIDASKPVEEVYRQVLEVI--

General information: TITO was launched using: RESULT: Template: 4JLA.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 -101131 -108.39 -500.65 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -108.39 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_4JLA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JLA-query.scw PDB file : Tito_Scwrl_4JLA.pdb: