Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQSHSSSINYFGSANKVVYEGKDSTNPLAFKYYNPQEVIGGKTLKEHLRFSIAYWHTFTADGTDVFGAATMQRPWDHYKGMDLAKMRVEAAFEMFEKLDAPFFAFHDRDIAPEGSTLKETNQNLDMIMGMIKDYMRNSGVKLLWNTANMFTNPRFVHGAATSCNADVFAYAAAQVKKGLETAKELGAENYVFWGGREGYETLLNTDLKFELDNLARFMHMAVDYAKEIGYTGQFLIEPKPKEPTTHQYDTDAATTIAFLKQYGLDNHFKLNLEANHATLAGHTFEHELRMARVHGLLGSVDANQGHPLLGWDTD-EFPTDLYSTTLAMYEILQNGGLGSGGLNFDAKVRRSSFEPDDLIYAHIAGMDAFARGLKVAHKLIEDRVFEDVIQHRYRSFTEGIGLEIIEGRANFHTLEQYALNHKSIKNESGRQEKLKAILNQYILEV 1XLD Chain:B ((10-277)) --------------------------------------------------FTFGLW-TVGWTGADPFGVATR-------KNLD----PVEAVHKLAE-LGAYGITFHDNDLIPFDATEAEREK----ILGDFNQALKDTGLKVPMVTTNLFSHPVFKDGGFTSNDRSIRRFALAKVLHNIDLAAEMGAETFVMWGGREGSEYDGSKDLAAALDRMREGVDTAAGYIKDKGYNLRIALEPKPNEPRGDIFLPTVGHGLAFIEQLEHGDIVGLNPETGHEQMAGLNFTHGIAQALWAEKLFHIDLN-GQRGIKYDQDLVFGHGDLTSAFFTVDLLENG--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XLD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1293 -93940 -72.65 -351.83 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -72.65 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_1XLD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XLD-query.scw PDB file : Tito_Scwrl_1XLD.pdb: