Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSMRKKTIGEVLRLARINQGLSLDELQKKTEIQLDMLEAMEADDFDQLPSPFYTRSFLKKYAWAVELDDQIVLDAYDSGSMITYEEVDVDEDELTGRRRSSKKKKKKTSFLPLFYFILFALSILIFVTYYVWNYIQTQPEEPSLSNYSVVQSTSSTSSVPHSSSSSSSSIESAISVSGEGNHVEIAYKTSKETVKLQLAVSDVTSWVSVSESELEGGVTLSPKKKSAEATVATKSPVTITLGVVKGVDLTVDNQTVDLSKLTAQTGQITVTFTKN 5UK3 Chain:D ((22-82)) ----------NQFIKAKESKGLTYQQMAQLLSVNKVWLTSVLHGQNC--CDI----QLAHRICDTLGISHEYANELT-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5UK3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 205 -29804 -145.38 -488.58 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain D : 0.52 3D Compatibility (PKB) : -145.38 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_5UK3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5UK3-query.scw PDB file : Tito_Scwrl_5UK3.pdb: