Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINLQDVSKVYKSKHGDVNAVQNVSLSIKKGEIFGIIGYSGAGKSSLIRLLNGLEKPTSGTVEVAGTKINEVNGRGLRKARHEISMIFQHFNLLWSRTVRDNIMFP---LEIAGVKKSERIKRANELIK--------LVGLEGKEKSYPSQLSGGQKQRVGIARALANNPKVLLCDEATSALDPQTTDSILDLLSDINERLGLTIVLITHEMHVIRKICNRVAVMENGKVVEEGEVLDVFKNPKEQMTKRFVQQVTEPEETKETLQHLLDDTASGKMVQLTFVGESAEQPLITEMIRNFNVSVNILQGKISQTKDGAYGSLFIHIDGDEEEVQNVIRFINDKQVKAEVITNV 2FFB Chain:A ((25-235)) --------------------LDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRR---QVGVVLQD-NVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQG------AGLSGGQRQRIAIARALVNNPKILIFDQATSALDYESEHVIMRNMHKICK--GRTVIIIAHRLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPE------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2FFB.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 : 931 -30087 -32.32 -150.44 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -32.32 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.510

(partial model without unconserved sides chains): PDB file : Tito_2FFB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FFB-query.scw PDB file : Tito_Scwrl_2FFB.pdb: