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

General information: TITO was launched using: RESULT: Template: 2FGJ.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 : 947 -29622 -31.28 -148.11 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -31.28 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.502

(partial model without unconserved sides chains): PDB file : Tito_2FGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FGJ-query.scw PDB file : Tito_Scwrl_2FGJ.pdb: