Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | VDFVIEMLGIRKEFSG-------FVANDNITLQ-LKQGEIHALLGENGAGKSTLMNVLFGLYEPDGGEIR--VR-------GTKENINSP-NKANELGIGMVHQHFMLVDKFTVAENIILGKEPSKLGVIEKKKAIEEIKEISDRYGLRVDPNAIVRDISIGMQQRVEILKTLYRGADILIFDEPTAVLTPQEIKELIQIMRSLIKEGKSIILITHKLKEIMDVCDRVTVIRRGKGMGTVNVPETTP-QDL---ANLMVG------REVVFTTEKI---DANPGKDVLEVKDLVVKESRGVESVRGLNLTVRAGEIVGIAGVDGNGQSELISAIAGLSKVTSGSILLNGEHIENKKPRKITEAGLGHIPEDRHKHGLVLEMSLGENIALQTYYKKPISSKGFLNHKAMYDFARELIEEYDVRASSEYVAAKSLSGGNQQKAIIAREIHRNPDFLIAAQPTRGLDVGAIEFIHRRLIEQR-DNGKAVLLMSFELDEIMNVSDRIAVIYEGKIVAIVDPKETTEQELGLMMAGSSKQEAEMGEKEHV |
| 3BK7 Chain:A ((83-547)) | ---AISIVNLPEQLDEDCVHRYGVNAFVLYRLPIVKDGMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDSWDNVIRAFRGNELQNYFERLKNGEIRPVVKPQYVDLLPK-AVKGKVREL--------LKKVDEVGKFEEVVKELELENVLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVIHVVYGEPGVYGIFSKPKGTRNGINEFLQGYLKDENVRFRPYEIRFTKLSERVDVERETLVEYPRLVKDYG--SFKLEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWDLT--------------VAYKPQYIK---AEYEGTVYELLSKIDSSK-------L-N---SNFYKTELLKPLGIID-LYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEG------------------------------------- |
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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) -152314 for 3401 contacts (-44.8/contact) +
2D Compatibility (PS) -46620 + (NN) -12994 + (LL) 4428
1D Compatibility (HY) -23200 + (ID) 4800
Total energy: -235500.0 ( -69.24 by residue)
QMean score : 0.409
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