Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLENIDKSIQKQDILQGISLEVSPQKL-----TAFIGPNGAGKSTLLSIMSRLTKKDRGVLSIKGREIESWNSQELAQELTIL--KQKINYQAKLTVEELVSFGRFPYSRGRLRSEDWEKIRETLNYLELTNLKDRYINSLSGGQLQRVFIAMVLAQDTDFILLDEPLNNLDIKQSVSMMQILRRLVEELGKTIIIVLHDINMASQYADEIVAFKDGQVFSKGRTDQIMQADLLSQLYEIPITLADINDKKICIYS 3J15 Chain:B ((358-541)) --------------------LEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVE--------WD-------LTVAYKPQYIKAEYEGTVYELLS----KIDSSKLNSNFYKT--ELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVF-EGEPGRHGRA-------------------------------

General information: TITO was launched using: RESULT: Template: 3J15.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 : 795 23084 29.04 130.42 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : 29.04 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_3J15.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J15-query.scw PDB file : Tito_Scwrl_3J15.pdb: