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 4JA4 Chain:A ((19-479)) ---------------LGGLLFGYDTAVISGTVESLNTVFVAPQNLSESAANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFISGVGSAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARSGDASWLNTDGWRYMFASECIPALLFLMLLYTVPESPRWLM----QEQAEGILRKIMGNTLATQAVQ----EIKHSLDHG--------MFG--VGVIVIGVMLSIFQQFVGINVVLYYAPEV-----------LLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALGMAIGMFSLGTAFYTQA-PGIVALLSMLF---YVAAFAMSWGPVCWVLLSEIFPNAIRGKALAIAVAAQWLANYFVSWTFPMMDKNSW-----NGFSYWIYGCMGVLAALFMWKFVPETKGKTLEELEALWE-------------------

General information: TITO was launched using: RESULT: Template: 4JA4.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 : 1749 -206949 -118.32 -532.00 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -118.32 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.280

(partial model without unconserved sides chains): PDB file : Tito_4JA4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JA4-query.scw PDB file : Tito_Scwrl_4JA4.pdb: