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 2HDK Chain:A ((39-355)) -------------------------------LMVEWNDKGWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPD-AAGTSLYVRPVLIGNEPSLGVSQPRRALLFVILC-PVGAYFPGGSVTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDH-QLTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTAAQVAPVHRILYKDRNLHI--PTMENGPELILRFQKELKEIQYG-------------

General information: TITO was launched using: RESULT: Template: 2HDK.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 : 1477 -81491 -55.17 -270.73 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -55.17 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_2HDK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HDK-query.scw PDB file : Tito_Scwrl_2HDK.pdb: