Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLSVEKLAYTHGDSHYLFDEVTFSL-NPGERILISGYSGCGKSTLALLLSGLKESGKGQV--LLNG-------SLIE---------PSDVGFLFQNPDLQFCMDTVAHELYFILENLQIEPEQMQDRSEFVLAQVGLKGFQNRLIYTLSQGEKQRLALATIFLKSPKLIILDEAFANLDQESASQLLQLVLNYQANNQSMLIVIDHLITYYQDIMDHYFWLKKRLTRVD--FDYM--------LN---RLN----VFEL---EK----KSHNTGDKLLSIKDFQVKLSKNKFISYLDFDLASGERLCLDGPSGVGKSSFFMGLLGLYRT-KGKKQFTHRKQIPISFLFQNPLDQFIFSTVYDEIFQVCKD----SNKARDILETINLWDKKQFSPFQLSQGQQRRLAIGSILASDSKLLLLDEPTYGQDAYHANMITTLLLSYCHKNHCGVIFTSHDPHLKECFATRFLEVSSCSI |
3BK7 Chain:A ((103-547)) | --------------VNAFVLYRLPIVKDGMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDSWDNVIRAFRGNELQNYFERLKNGEIRPVVKPQYVD--LLPKAVKGKVREL-----LKKVDEVGKFEEVVKELELENVLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLAN-EGKAVLVVEHDLAVLDYLSDVIHVVYGEPGVYGIFSKPKGTRNGINEFLQGYLKDENVRFRPYEIRFTKLSERVDVERETLVEYPRLVKDYGS-FKLEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWDL----TVAYKPQYIK-AEYEGTVYELLSKIDSSKLNSNFYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEGEPG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BK7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -247848 for 3104 contacts (-79.8/contact) +
2D Compatibility (PS) -42353 + (NN) -13718 + (LL) 1992
1D Compatibility (HY) -16000 + (ID) 3550
Total energy: -321477.0 ( -103.57 by residue)
QMean score : 0.399
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