Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------MALAESEEEFFMGLIKAATSMVGGGLAD----QWLEVIEPDNMSDTTVMTKGVKVRKDDKRGSNRKGTEDVLTDGTVVHVYPN--MMMLLVDGGKIIDYTAEEGYYTIKN--------DAAPSMFNGTLK------------------EAIAETFD---------RFKFGGVTPQKQQVFYIN-LQEIKGIKFGTS--------------------------APLNYFDNF-YNAELFLRAH------GTYSIHVVDPILFYTNAIPKNKTQVEINDINEQYLAEFLTALQSAINQMSADGQRISYVPSKSLELSKYMDTALDDSWRELRGMEIVSVAVA-SISYTDDSVKLINMRNEGAMLGDPSVREGYVQGSIARGMEAAGK------NEAGAMTGFMGVGMGMNANGSYLSQAAQNNQEQIK-----QQAEKQNQQTAQGNADTWTCPVCGTENSGKFCSNCGAAKPVENVQPKLQMRCSECNE-IVDLSNGIP-----------KFCPNCGKPFKGIPVN------------------------------------------------------------------- 5AKP Chain:B ((18-638)) VCAREPIHIPGLIQPYGVLLVIDPADGRIVQASTTAADLLGVPMAALLGMPYTQVLTLPEAQPFAVDDQPQHLMHAEVRFPQRA-TPPASAWVAAWHLYPQQWLVEMEPRDARLLDVTLREAMPLLRSVERDPGIAEAAVRVAKGLRSLIGFDRVMIYRFDEEWNGDIIAEARKPELEAYLGLHYPASDIPAQARALYLRNRVRQIADVGYQPSPIQPTVHPQLGTPVDLSDVSLRSVSPVHLEYLANMGVTATLVASIVVNDALWGLISCHHYSP--HFTNHAMRDVTDAVARTLAGRIGALQAVARARLESVLLTVREKLITDFNDAEHMTVELLDDMAPDLMDVVDADGVAIFHGNDISRHGTTPDVAALRRIRDHIESEHHEALREDAVGALHVDAIGEVFPELADLAPLAAGFIFVPL-MPQSRSALLWTRREQIQQIKWAGNPRKSFDLWQQTVRGRARRWSPLHLESARSLRVLIELMERKRFQQDFTLLEASLSRLRDGVAIIERGTANAAHRLLFVNTAFADVCGSDVAELIGRELQTLYASDAPRANVELLQDALRNGRAAYVTLPLQVSDGAPVYRQFHLEPLPSPSGVTAHWLLQLRD

General information: TITO was launched using: RESULT: Template: 5AKP.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 : 1938 22603 11.66 53.56 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : 11.66 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.192

(partial model without unconserved sides chains): PDB file : Tito_5AKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AKP-query.scw PDB file : Tito_Scwrl_5AKP.pdb: