Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKDTRKYMIYFFGA-LGGLLYGYDTGVISGALLFINN------------DIPLTTLTE--GLVVSMLLLGAIFGSALSGTCSDRWGRRKVVFVLSIIFIIGALACAFSQ---TIGMLIASRVILGLAVGGSTALVPVYLSEMAPTKIRGTLGTMNNLMIVTGILLAYI--VNYLFTPFEAWRWMVGLAAVPAVLLLIGIAFMPESPRW-LVKRGSEEEARRIMNITHDPKDIEMELAEMKQGE----AEKKETTLGVLKAKWIRPMLLIGVGLAIFQQAVGINTVIYYAPTIFTKAGLGTSASALGTMGIGILNVIMCITAMILIDRVGRKKLLIWGSVGITLSLAALSGVLLTLGLS--ASTAWM---TVVFLGVYIVFYQATWGPVVWVLMPELFPSKARGAATGFTTLVLSAANLIVSLVFPLMLSAMGIAWVFMVFSVICLLSFFFAFYMVPETKGKSLEEIEASLKKRFKKKKSTQNQVLNERTL 4PYP Chain:A ((9-455)) ----TGRLMLAVGGAVLGSLQFGYNTGVINAPQKVIEEFYTQTWVHRYGESILPTTLTTLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCIVLPFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQQPVYA--TIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGM-----AGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCG-PYVFIIFTVLLVLFFIFTYFKVPET--------------------------------

General information: TITO was launched using: RESULT: Template: 4PYP.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 : 2092 -239529 -114.50 -574.41 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -114.50 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.415

(partial model without unconserved sides chains): PDB file : Tito_4PYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PYP-query.scw PDB file : Tito_Scwrl_4PYP.pdb: