Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKIDMRNISKSFGT-------NKVLEKIDLEL-QSGQIHALMGENGAGKSTLMNILTGLFPASTGTI--YID-------GEERTFSNPQ-EAEEFGISFIHQEMNTWPE---MTVLENLFLGREIKTTFGLLNQKLMRQKALEAFKRLGVTIPLDIPIGNLSVGQQQMIEIAKSLLNQLSILVMDEPTAALTDRETENLFRVIRSLKQEGVGIVYISHRMEEIFKITDFVTVMRDGVIVDTK--ETSLTNS--DELVKKMVG------RKLEDYYPEKH---SEIGPVAFEVSNLCG----DNFEDVSFYVRKGEILGFSGLMGAGRTEVMRTIFGIDKKKSGKVKIDNQEITITSPSQAIKQGIGFLTENRKDEGLILDFNIKDNMTLPSTKDFSKHGFFDEKTRTTFVQQLINRLYIKSGRPDLEVGNLSGGNQQKVVLAKWIGIAPKVLILDEPTRGVDVGAKREIYQLMNELA-DRGVPIVMVSSDLPEILGVSDRIMVMHEGRISGELSRKEADQEKVMQLATGGK |
3BK7 Chain:A ((83-547)) | -AISIVNLPEQLDEDCVHRYGVNAFVLYRLPIVKDGMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDSWDNVIRAFRGNELQNYFERLKNGEIRPVVKPQYVDLLPKAVKGKVRELL-------------KKVDEVGKFEEVVKELELENVLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVIHVVYGEPGVYGIFSKPKGTRNGINEFLQGYLKDENVRFRPYEIRFTKLSERVDVERETLVEYPRLVKDYGSFKLEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWDL--------------TVAYKPQYIK---AEYEGTVYELLSKIDSSK------LN---SNFYKTELLKPLGII-DLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEGEPGRHGRALPPMGMREGMNRFLASV |
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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) -127352 for 3311 contacts (-38.5/contact) +
2D Compatibility (PS) -46098 + (NN) -16830 + (LL) 2644
1D Compatibility (HY) -24000 + (ID) 5050
Total energy: -216686.0 ( -65.44 by residue)
QMean score : 0.362
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