Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRRFKKSRSQKVKRSVNIVLLTIYLLLVCFLLFLIFKYNILAFRYLNLVVTALVLLVALVGLLLIIYKKAEKFTIFLLVFSILVSSVSLFAVQQFVGLTNRLNATSNYSEYSLSVAVLADSEIENVTQLTSVTAPTGTDNENIQKLLADIKSSQNTDLTVNQSSSYLAAYKSLIAGETKAIVLNSVFENIIELEYPDYASKIKKIYTKGFTKKVEAPKTSKNQSFNIYVSGIDTYGPISSVSRSDVNILMTVNRDTKKILLTTTPRDAYVPIADGGNNQKDKLTHAGIY-GVDSSIHTFSESRWTF-PIYIISNICLLYNT 4DE9 Chain:A ((22-148)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EFDPGKDSFSVLLLGID-------QARSDANVLVTFNRKEKTAKMLSIPRDAYVNIPGH---GYDKFTHAHAYGGVDLTVKTVEEMLDIPVDYVVESNFTAFEDV

General information: TITO was launched using: RESULT: Template: 4DE9.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 : 394 -18204 -46.20 -195.74 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -46.20 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_4DE9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DE9-query.scw PDB file : Tito_Scwrl_4DE9.pdb: