Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLILMGLPGAGKGTQAEKIIDAYGIPHISTGDMFRAAMQNETALGLEAKSYMDKGALVPDEVTNGIVKERLAEPDTEKGFLLDGFPRTLDQAKALDAMLKDLNKKIDAVIDIHVGEEILVERLAGRFICSNCGATYHKIFNPTKVEDTCDRCGGHEFYQREDDKPETVKNRLAINIKNSEPILAYYKEQGLLNTIDGAREIDAVFADVQKIIEK 4MKG Chain:A ((1-212)) MNIVLMGLPGAGKGTQAERIVEKYGIPHISTGDMFRAAMKEETPLGLEAKSYIDKGELVPDEVTIGIVRERLSKSDCERGFLLDGFPRTVAQAEALEEILEEMGRPIDYVINIQVDKEELMERLTGRRICSVCGTTYHLVFNPPKTPGICDKDGG-ELYQRADDNEETVTKRLEVNMKQTAPLLAFYDSKEVLVNVNGQQDIQDVFADVKVIL--

General information: TITO was launched using: RESULT: Template: 4MKG.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 : 991 -98704 -99.60 -465.58 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -99.60 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.569

(partial model without unconserved sides chains): PDB file : Tito_4MKG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MKG-query.scw PDB file : Tito_Scwrl_4MKG.pdb: