Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MENIMAYITLRDVQLAFGGPALLDGANFNLERGERVCLIGRNGEGKSTLLKLIEGSLLPDSGEVSVQNGLTVSMLAQDVPMSS-GKVADNVAEGAGEAAAVLKAYHEASDACVLGDMEA-CDRMGSLQHKLDQL--DGWALENKVNTILGKMEL-DPNADLADLSGGRKRRVLLARALLTQPDVLLLDEPTNHLDVESIEWLEKFLLDQNNLTLLFISHDRSFVDRLATRIVELDRGILRSYEGNYSRYLDLKAQQLEAEEKQNALFEKKLAEEEAWIRQGIKARRTRNEGRVRALKALREESKARRFQQGKVNMGVQEAQRSGKLVFDIEHLSVSYDGQTLIRDFSAIVMRGDRIGLVGDNGVGKTTLIKAILGEVQHE-GVVKTGTQLEIAYFDQLRNQLDLEKSVSENVSEGSDFVDVNGQRRHILSYLQDFLFSPERARTPVKALSGGERNRVLLAKLLLKPSNLIVMDEPTNDLDMVTLELLEEMLSEYKGTLLLISHDRAFMDNVVTSTWVFDGKGGIAEYIGGYQDYLIQRPNERVVDQKGDVKKAQAKAEAEKNAAQTNVKKVKLSYKDQRELEQLPAEIEKLENEQAELSDKLADGSWFVTDADAATKASQRLAEIEELLLEKLERWDELEQKSKGN 4FIN Chain:A ((21-530)) ---------------------ILKNISLSFFPGAKIGVLGLNGAGKSTLLRIMAGIDKDIEGEARPQPDIKIGYLPQEPQLNPEHTVRESIEEAVSEVVNALKRLDEVY--ALYADPDADFDKLAAEQGRLEEIIQ----LNVQLERAADALRLPDWDAKIANLSGGERRRVALCRLLLEKPDMLLLDEPTNHLDAESVAWLERFLHDFEG-TVVAITHDRYFLDNVAGWILELDRGEGIPWEGNYSSWLEQKDQRLAQEASQEAARRKSIEKELEWVRQGTK----KGKARLARFEELNSTEYQKRNETNE--LFIPPGPRLGDKVLEVSNLRKSYGDRLLIDDLSFSIPKGAIVGIIGPNGAGKSTLFRMISGQEQPDSGTITLGETVKLASVDQFRDSMDNSKTVWEEVSGGLDIMKIGNTEMPSRAYVGRFNFKGVDQGKRVGELSGGERGRLHLAKLLQVGGNMLLLDEPTNDLDIETLRALENALLEFPGCAMVISHDRWFLDRIATHILDYQDEGKVEFFEGNFTEY----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FIN.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 : 2321 75732 32.63 153.30 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 32.63 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_4FIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FIN-query.scw PDB file : Tito_Scwrl_4FIN.pdb: