Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVYTSVSDDEMRGFLSGYDLGEFVSLQGIAQGITNSNYFLTTTSGRYVLTVFEVLKQEELPFFLELNRHLSMKGVAVAAPVARKDGRLDSVLAGKPACLVACLKGSDTALPTAEQCFHTGAMLAKMHLAAADFPLEMENP---RYDAWWTEA---CARLLPV-----------LS----QDD---AALLCSEIDALKDN------LGNHLPSGIIHADLFKDNVLLDGGQVSGFIDFYYACRGNFMYDLAIAVNDWARTADNKLDEALKKAFVGGYEGVRPLSAGEKAYFPTAQRAGCIRFWVSRLLDFHFPQAGEMTFIKDPNAFRNLLLSLD 2Q83 Chain:A ((22-303)) ----------LAENVLQGWDV-QAEKIDVIQ----ALVWKVHTDSGAVCLKRIHR-PEKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTT-GVWDDETFNVMLNAYESRAPLTEEQKQVMFIDM----------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q83.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 : 959 -73626 -76.77 -296.88 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -76.77 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.336

(partial model without unconserved sides chains): PDB file : Tito_2Q83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2q83-query.scw PDB file : Tito_Scwrl_2Q83.pdb: