Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILSVKDLSHGFGD-------RAIFNNVSFRL-LKGEHVGLIGANGEGKSTFMNIITGKLEPDEGKVEWSKNVRVGYLDQHTVLEKGKSIRD--VLKDAFHYLFAMEEEMNEIYNKMGEADPDELEKLLEEVGVIQDALTNNDFYVIDSKVEEIARGLGLSDIGLERDVTDLSGGQRTKVLLAKLLLEKPEILLLDEPTNYLDEQHIEWLKRYLQEY---ENAFILISHDIPFLNSVINLIYHVENQELTRYVGDYHQFMEVYEVKKQQLEAAYKKQQQEVAELKDFVARNKARVSTRNMAMSRQKKLDKMDMIELAAEKPKPEFHFK--PARTSGKLIFETKDLVIGYDSPLSRPLNLRMERGQKIALYGANGIGKTTLLKSLLGEIQPLEGSVERGEHIYTGYFEQEVKETNNNTCIEEVWSEFP--SYTQYEIRAALAKCGLTTKHIESRVSVLSGGEKAKVRLCKLINSETNLLVLDEPTNHLDADAKEELKRALKEY----KGSILLISHEPDFYMDIATETWNCESWTTKVL 3BK7 Chain:A ((83-547)) --AISIVNLPEQLDEDCVHRYGVNAFVLYRLPIVKDGMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDS-WDNVIRAFRGNELQNYFERLKNGEIRPVVKP-----QYVDLLP--------KAV----K--GKVRELL---KKVDEVGKFEEVVKELELEN-VLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVIHVVYGEPG-VY-GIFSKPKGTRN------------------GINEFLQGYLKDEN----VRFRPY---------------EIRFTKLSERVDVERETLVEYPRLVKDYGSFKLEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWD--LTVAYKPQYIKAEYEGTVYELLSKIDSSKLNSNFYKTELLKPLGII-DLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEG------

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 : 2266 -192527 -84.96 -433.62 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -84.96 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.359

(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: