Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTVSDVSLRFSDRKLFDDVNIKFTEGNTYGLIGANGAGKSTFLKILAGDIEPTTGHISLGPDERLSVLRQNHFDYEDERAIDVVIMGNEKLYSIMKEKDAIYMKEDFSDEDGVRAAELEGEFAELGGWEAESEASQLLQNLNIPEELHYQNMSELANGEKVKVLLAKALFGKPDVLLLDEPTNGLDIQS---ITWLEDFLIDFDNTVIVVSHDRHFLNKVCTHMADLDFGKIKLYVGNYDFWKESSELAAKLLADRNAKAEEKIKQLQEFVARFSANASKSRQATSRKKMLDKIELEEIVPSSRKYPFINFKAEREIGNDLLTVENLTVKIDGETILDNISFILRPDDKTALIGQNDIQTTALIRAIMG-DIDYEGTVKWGVTTSQSYLPKDNSADFAGGESILDWLRQFASKEEDDNTFLRGFLGRMLFSGDEVNKPVNVLSGGEKVRVMLSKLMLLKSNVLVLDDPTNHLDLESISSLNDGLKNFKE----SIIFASHDHEFIQTLANHIIVLSKNGVIDRIDETYDEFLENAEVQAKVKELWKD 5LW7 Chain:B ((102-531)) -------------------------DGMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDSWDNVIRAFRGNELQNYFER------LKNGEIRPVVKPQYVDLLPKAVKG----KVRELLKKVDEVGKFEEVVKELELENVLD--RELH-----QLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYL-SDVIHVVYGEPGVY-----------GIFSKPKGTRNGINEFLQGYLKDENVRFRPYEIRFTKLSERVD----VERETLV----EYP----RLVKDYGSFKLEVEPGEIR-KGEVI--------------GIVGPNGIGKTTFVKMLAGVEEPTEGKVEWDLTVA--YKPQYIKAEYEG--TVYELLSKIDSSKLNSN-FYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVF--------------------------------

General information: TITO was launched using: RESULT: Template: 5LW7.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 : 2063 -31908 -15.47 -75.61 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -15.47 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.318

(partial model without unconserved sides chains): PDB file : Tito_5LW7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LW7-query.scw PDB file : Tito_Scwrl_5LW7.pdb: