Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKDTRKYMIYFFGALGGLLYGYDTGVISGALLFINND-IPLTTLTE-------GLVVSMLLLGAIFGSALSGTCSDRWGRRKVVFVLSIIFIIGALACAFSQ----------TIGMLIAS--------RVILGLAVGGSTALVPVYLSEMAPTKIRGTLGTMNNLMIVTGILLAYIVNYLFT--------PFEAWRWMVGLAAVPAVLLLIGIAFMPESPRWLVKRGSEEEA----RRIMNITHDPKDIEMELAEMKQGEAEKKETTLGVLKAKWIRPMLLIGVGLAIFQQAVGINTVIYYAPTIFTKAGLGTSASALGTMGIGILNVIMCITAMILIDRVGRKKLLIWGSVGITLSLAALSGVLLTLGLSASTAWMTVVFLGVYIVFYQATWGPVVWVLMPELFPSKARGAATGFTTLVLSAANLIVSLVFPLM----LSAMGIAWVFMVFSVICLLSFFFAFYMVPETKGKSLEEIEASLKKRFKKKKSTQNQVLNERTL 4JA3 Chain:B ((19-471)) ---------------LGGLLFGYDTAVISGTVESLNTVFVAPQNLSESAANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFISGVGSAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARSGDASWLNTDGWRYMFASECIPALLFLMLLYTVPESPRWLMSRGKQEQAEGILRKIMGNTLATQAVQ----EIKHSLDHGR-------------GVIVIGVMLSIFQQFVGINVVLYYAPEV------STDIALLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALGMAIGMFSLGTAFYTQA-PGIVALLSMLF---YVAAFAMSWGPVCWVLLSEIFPNAI---ALAIAVAAQWLANYFVSWTFPMMDKNS----HNGFSYWIYGCMGVLAALFMWKFVPETKGKTL---------------------------

General information: TITO was launched using: RESULT: Template: 4JA3.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 : 1904 -181364 -95.25 -471.08 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -95.25 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_4JA3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JA3-query.scw PDB file : Tito_Scwrl_4JA3.pdb: