Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRRFKKSRSQKVKRSVNIVLLTIYLLLVCFLLFLIFKYNILAFRYLNLVVTALVLLVALVGLLLIIYKKAEKFTIFLLVFSILVSSVSLFAVQQFVGLTNRLNATSNYSEYSLSVAVLADSEIENVTQL----TS--VTAPTGTDNENIQKLLADIKSSQNT----DLTVNQSSSYLAAYKSLIAGETKAIVLNSVFENIIELEYPDYASKIKKIYTKGFTKKVEAPKTSKNQSFNIYVSGIDTYGPISSVSRSDVNILMTVNRDTKKILLTTTPRDAYVPIADGGNNQKDKLTHAGIYGVDSSIHTFSESRWTFPIYIISNICLLYNT 3N5L Chain:A ((90-183)) -------------------------------------------------------------------------------------------------------------PGYWSLLIANKDSKIDSLEDMLANAKSLTFGNGDPNSTSGYLVPGYYVFAKNNVDPVKAFKRTLNSSHEVNALAVANKQVDVATFNTEGMERLE-------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3N5L.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 : 363 5268 14.51 62.71 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.47 3D Compatibility (PKB) : 14.51 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.47 QMean score : 0.593

(partial model without unconserved sides chains): PDB file : Tito_3N5L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N5L-query.scw PDB file : Tito_Scwrl_3N5L.pdb: