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 2A1H Chain:B ((39-355)) -------------------------------LMVEWNDKGWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPD-AAGTSLYVRPVLIGNEPSLGVSQPRRALLFVILC-PVGAYFPGGSVTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDH-QLTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTACQVCPVHRILYKDRNLHI--PTMENGPELILRFQKELKEIQYG-------------

General information: TITO was launched using: RESULT: Template: 2A1H.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 : 1515 -82112 -54.20 -272.80 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -54.20 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_2A1H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A1H-query.scw PDB file : Tito_Scwrl_2A1H.pdb: