Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKCGENNEGGKYMQIDWNNLGFSYIKTPWRFIAKWKDGQWEEGELTEDNYLTIHEGSPALHYGQQCFEGLKAYRRKDGKVNLFRPEQNSRRMNQSARRLLMPMVPEKMFVDAVKQVVKANEDFVPPYGTGATLYLRPLLIGVGENIGV-HPAPEYLFVVFCTPVGAYFKGGLKPTNFIVSD-YDRAAPKGTGAAKVGGNYAASLLPGTEAKELDYSDCVYLDPATHTKIEEVGAANFF--GITKDG--KFITPQ-SPSILPSITKYSLLQLAEERLGLQAIEGDIFIDDLDQFAEAG------ACGTAAVISPIGGI-YHNNNLHVFYSETEVGP-VTKRLYDELTGIQFGDIEAPEGWIEVVE 2HGW Chain:A ((39-355)) -------------------------------LMVEWNDKGWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPD-AAGTSLYVRPVLIGNEPSLGVSQPRRALLFVILC-PVG------VTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDH-QLTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTACQVAPVHRILYKDRNLHI--PTMENGPELILRFQKELKEIQYG-------------

General information: TITO was launched using: RESULT: Template: 2HGW.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 : 1469 -87066 -59.27 -295.14 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -59.27 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.349

(partial model without unconserved sides chains): PDB file : Tito_2HGW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HGW-query.scw PDB file : Tito_Scwrl_2HGW.pdb: