Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKCGENNEGGKYMQIDWNNLGFSYIKTPWRFIAKWKDGQWEEGELTEDNYLTIHEGSPALHYGQQCFEGLKAYRRKDGKVNLFRPEQNSRRMNQSARRLLMPMVPEKMFVDAVKQVVKANEDFVPPYGTGATLYLRPLLIGVGENIGV-HPAPEYLFVVFCTPVGAYFKGG-LKPTNFIVSD-YDRAAPKGTGAAKVGGNYAASLLPGTEAKELDYSDCVYLDPATHTKIEEVGAANFF--GITKDG--KFITPQ-SPSILPSITKYSLLQLAEERLGLQAIEGDIFIDDLDQFAEAG------ACGTAAVISPIGGI-YHNNNLHVFYSETEVGP-VTKRLYDELTGIQFGDIEAPEGWIEVVE 2HGX Chain:B ((39-355)) -------------------------------LMVEWNDKGWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPD-AAGTSLYVRPVLIGNEPSLGVSQPRRALLFVILC-PVGAYFPGGSVTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDH-QLTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTAAQVCPVHRILYKDRNLHI--PTMENGPELILRFQKELKEIQYG-------------

General information: TITO was launched using: RESULT: Template: 2HGX.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 : 1509 -82866 -54.91 -275.30 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -54.91 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.388

(partial model without unconserved sides chains): PDB file : Tito_2HGX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HGX-query.scw PDB file : Tito_Scwrl_2HGX.pdb: