Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRIENLSVSYKDTLALKDISLVLHGPTITGIIGPNGAGKSTLLKGMLGII-PHQGQAFLDDKEVKKSLHRIAYVEQKINIDYNFPIKVKECVSLGLFPSIPLFRSLKAKHWKKVQEALEIVGLADYAERQISQLSGGQFQRVLIARCLVQEADYILLDEPFAGIDSVSEEIIMNTLRDL-KKAGKTVLIVHHDLSKIPHYFDQVLLVNREVIAFGPTKETFTETNLKEAYGNQLFFNGGDL 3BK7 Chain:A ((384-548)) ----------------------------VIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWD--------LTVAYKPQYIKAEY-------EGTVYELLSKIDSSK-LNSNFYK--TELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEGE-------------------------------

General information: TITO was launched using: RESULT: Template: 3BK7.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 : 738 -6616 -8.96 -40.59 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -8.96 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_3BK7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BK7-query.scw PDB file : Tito_Scwrl_3BK7.pdb: