Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRRFKKSRSQKVKRSVNIVLLTIYLLLVCFLLFLIFKYNILAFRYLNLVVTALVLLVALVGLLLIIYKKAEKFTIFLLVFSILVSSVSLFAVQQFVGLTNRLNATSNYSEYSLSVAVLADSEIENVTQLTSVTAPTGTDNENIQKLLADIKSSQNTDLTVNQSSSYLAAYKSLIAGETKAIVLNSVFENIIELEYPDYASKIKKIYTKGFTKKVEAPKTSKNQSFNIYVSGIDTYGPISSVSRSDVNILMTVNRDTKKILLTTTPRDAYVPIADGGNNQKDKLTHAGIYGVDSSIHTFSESRWTF-PIYIISNICLLYNT 4DE8 Chain:A ((14-224)) --------------------------------------------------------------------------------------------------------------EYSLSVAVLADSEIENVTQLTSVTAPTGTDNENIQKLLADIKSSQNTDLTVNQSSSYLAAYKSLIAGETKAIVLNSVFENIIELEYPDYASKIKKIYTKGFTKKVEAPKTSKNQSFNIYVSGIDTYGPISSVSRSDVNILMTVNRDTKKILLTTTPADAYVPIADGGNNQKDKLTHAGIYGVDSSIHTLENLYGVDINYYVRLNFTSFLKM

General information: TITO was launched using: RESULT: Template: 4DE8.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 : 1026 -69051 -67.30 -328.81 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -67.30 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_4DE8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DE8-query.scw PDB file : Tito_Scwrl_4DE8.pdb: