Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MENIMAYITLRDVQLAFGGPALLDGANFNLERGERVCLIGRNGEGKSTLLKLIEGSLLPDSGEVSVQN-GLTVSMLAQDVP-MS-------SG-KVADNVAEGAGEAAAVLKAYHEASDACVLGDMEACDRMGSLQHKLDQLDGWALENKVNTILGKMELDP--NADLADLSGGRKRRVLLARALLTQPDVLLLDEPTNHLDVESIEWLEKFLLDQ--NNLTLLFISHDRSFVDRLATRIVELDRGILRSYEGNYSRYLDLKAQQLEAEEKQNALFEKKLAEEEAWIRQGIKARRTRNEGRVRALKALREESKARRFQQGKVNMGVQEAQRSGKLVFDIEHLSVSYDGQTLIRDFSAIVMRGDRIGLVGDNGVGKTTLIKAILGEVQH-EGVVKTGTQLEIAYFDQLRNQLDLEKSVSENVSEGSDFVDVNGQRRHILSYLQDFLFSPERARTPVKALSGGERNRVLLAKLLLKPSNLIVMDEPTNDLDMVTLELLEEMLSEY----KGTLLLISHDRAFMDNVVTSTWVFDGKGGIAEYIGGYQDYLIQRPNERVVDQKGDVKKAQAKAEAEKNAAQTNVKKVKLSYKDQRELEQLPAEIEKLENEQAELSDKLADGSWFVTDADAATKASQRLAEIEELLLEKLERWDELEQKSKGN 1YQT Chain:A ((25-486)) ----------EDCVHRYGVNAFVLYRLPVVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLCGDNDSWDGVIRAFRGNELQNYFEKLKNGEIRPVVKPQYVDLIPKA------V-----------------KGKVIELL---KKADETGKLEEVVKALELENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLDYLSDI-IHVVYGEPGVY-GI---FSQPKGTRNG--------INEFL--RGYLKDENVRFRP-----YEI---KFTKTGE-------RVE-------IERETLVTYPRLVKDYG-SFRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWDL--TVAYKPQYIK-ADYEGTVYELLSKIDASKL--NSNFYKTELLKPLGIID-LYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFEG-EPGK-YGRAL-------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1YQT.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 : 2356 29568 12.55 66.74 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 12.55 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.353

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: