Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MNRKGNLSMTTQLQHLTLPEDIQQKLLSYKEQPISPEFQS-LIGTSGYEAEDEAILFDAIIALAMGKNVLLKGPTGSGKTKLAETLSSYF--HKPMHSVNCSV---------------DLDAEALVGYKTIENQSGQATIEFVSGPVTKAMKEGH--------FLYID-------------EINMAKPETLPILNGVLDYRKMMTNPFT----------------------------GEVIRAKSGFGVIAAINEGYVGTVP------------------LNEALKN----RFVII---DVPYIKG------------ELLKQVLMSQSALKDEKLIDRFITLSSDL----IVQANNGQVSEEAASI-----RALIDTCDLAAYIPPRRAIERGIVEKLDD---DREKAAVRNIAETLFE 4WW4 Chain:A ((3-458)) QISEVRGNTRDHRTAAHTHIKG------LGLNSSGIAEKQAAGFVGQCAAREACGVVVDLIKAHKMAGRGVLLAGGPGTGKTALALAISQELGTKIPFCPITGSEIYSTEVKKTEVLMENFRRAIGLRVRETKDVYEGEVSTLLIGLKSARGQKLDQKERVQVGDVIYIETNTGACRSDAYATEFDLEAEEYVPIPKGEVHKKKEIVQDVTLHDLDVANARPDIISMMGQLMKPKMTEITDKLRMEINKVVQKYINQGVAELIPGVLFIDEAHMLDIECFTYLNKALESPIAPIVVLASNRGIATIRGADDLKAAHGIPPDFLQRLLIIPTHPYEPDEIRRIVRIRAQTEGVQLTDAAVDRVAEHGVRISLRYCLQLLAPASILARVNGRTQVDVQDIAEAEELFLDARRSANILTSTGGLH

General information: TITO was launched using: RESULT: Template: 4WW4.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 : 1278 -653 -0.51 -2.19 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -0.51 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.244

(partial model without unconserved sides chains): PDB file : Tito_4WW4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WW4-query.scw PDB file : Tito_Scwrl_4WW4.pdb: