Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDFIVEKLSKSVGDKTVFRDISFIIHDLDRIGLIGVNGTGKTTLLDVLSGVSGFDGDVSPFSAKNDYQIGYLTQDPDFDDRKTVLDTVLSSELK---------EIQLIREYELIMLDYSEDKQARLERVMAEMDSLQAWEIESQVKTVLSKLGIQDLSTPIGELSGGLRRRVQLAQVLLGNHDLLLLDEPTNHLDIA---IIEWLTLFLKNSKKTVLFITHDRYFLDALSTRIFELDRAGLTEYQGNYQDYVRLKAEQDERDAALLHKKEQLYKQELAWMRRQPQARATKQQARINRFHDLKKKVSGSSAETDLTMNFETSRIGKKVIEFQAVSFAYENKPILQDFNLLVQAKDRIGIVGDNGVGKSTLLNLIAGSLEPTKGQVVIGETVRIAYFSQQIEGLDESKRVINYLQEVAEEVKTSG-GSTTSIAELLEQF----LFPRSTHGTLIEKLSGGEKKRLYLLKLLLEKPNVLLLDEPTNDLDI----ATLTVLENFLQGFAGPVLTVSHDRYFLDKVATKILAFE-----DGKIRPFFGH---YTDYLDEKA--FETDMANQVQKVEKEKVVKVREDKKRMTYQEKQEWASIEGDIETLEKRIAAIEEEMQANGSDFGKLATLQKELDEKNEALLEKYERYEYLSEFDS 5LW7 Chain:B ((99-590)) ------------------------IVKDGMVVGIVGPNGTGKTTAVKILAG----------------QLIPNLCEDNDSWD--NVIRAFRGNELQNYFERLKNGEIRPVVKPQYVDL-LPKAVKGKVRELLKKVDEVGKFEEVVKELELENVLDRE-----LHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVIHVV-----YGEPGVYGIFSKPKGTRNGINEFL-----QGYLKDENVRFRPYEIRFTKLSERV----DVERETL-----------VEYPRLVK-----DYGSFKLEVEP------GEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWDLTV--AYKPQYIKAEYEGT-----VYELLSKIDSSKLNSNFYKTELLKPLGIIDLYDRN-----VEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEGEPGRHGRALPPMGMREGMNRFLASVGITFRRDPDSGRPRANKEGSVKDREQKARGEY------------------------------------------------------------------

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 : 2417 63176 26.14 137.04 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 26.14 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.324

(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: