Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITVNDVSLHFSDRKLFDDVNIKFTPGNCYGLIGANGAGKSTFLKVLSGDLQPSTGSVTMGPDERMAVLKQNHYDYEDYTVLETVIMGHKRLYEVLKEKD-AIYMKEDFTDEDGIRAAELEGEFAELNGWEAEPEAAVLLQGLNIPEELHHQQMSELTGGQKVKVLLAQTLFGKPDVLLLDEPTNGLDIQS---INWLEEFLINFENTVIVVSHDRHFLNKVCTHMADLDFGKIKLYVGNYDFWLESSQLAAKLQANANAKKEEQIKELQEFIARFSANASKSKQATSRKKMLEKITLDDIQPSSRRYPFVGFKPEREIGNDLLQVENVSVTIDGKKILDDISFNLSKEDKVAFVAENDITTTTLFKVIMGEITPDTGTVRWGVTTSNSYLPKDTTKEFDTDLTILDWLRQYASKEEDDNTFLRSFLGRMLFSGEEVLKPVNV----------LSGGEKVRCMLSKMMLSKANVLVLDDPTNHLDLESITALNDGLMAFT----GSILFASHDHQFIQTLANRIIAVSDKGVIDRADTTYDEFLENADIQKQLNELWA 3BK7 Chain:A ((117-543)) --------------------------GMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDSWDNVIRAFRGN--ELQNY-------------FERLKNGEIRPVVKPQYVD---LLPKAVKGKVRELLKKVDEVGKFEEVVKELELENVLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYL-SDVIHVVYGEPGVY-----------GIFSKPKGTRNGINEFLQGYLKDENVRFRPYEIRFTKLSERVD-VERETLVE-------YP----RLVKDYGSFKLEVE---------------PGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWDLTVA--YKPQYIKAEYEG--TVYELLSKIDSSKLNSN-----------FYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLI---------------------------------

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 : 1905 26499 13.91 64.79 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 13.91 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.356

(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: