Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIYGVYMDRPLSAGEEDRMMAAVSAEKREKCRRFYHKEDAHRTLIGDMLIRTAAAKAYGLDPAGISFGVQEYGKPYIPALPDMHFNISHSGRWIVCAVDS----KPIGIDIEKMKPGTIDIAKRFFSPTEYSDLQAKHPDQQTDYFYHLWSMKESFIKQAG--KGLSLPLDSFSVRLKDD-----GHVSI--ELPD-G---HEPCFIR-TYDADEEYKLAVCAAHPDFCDGIEMKTYEELL 4U89 Chain:A ((48-247)) ------------------PPGLTPLPEEAPLIARSV-AKRRNEFITVRHCARIALDQ-LGVP--PAPILKGDKGEPCWPD--GMVGSLTHCAGYRGAVVGRRDAVRSVGIDAEPHDVLPNGVLDAISLPAERADMPRTM-PAALHWDRILFCAKEATYKAWFPLTKRWLGFEDAHITFETDSTGWTGRFVSRILIDGSTLSGPPLTTLRGRWSVERGLVLTAIVL-----------------

General information: TITO was launched using: RESULT: Template: 4U89.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 : 758 -27939 -36.86 -153.51 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -36.86 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_4U89.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U89-query.scw PDB file : Tito_Scwrl_4U89.pdb: