Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIELKGVNFKYKNTKNSCLDNIDLEIKKGEFVLISGASGSGKTSITRVI-NKLIPYYYEG--ELEGTVKI--NNDLVSSYQMFELSEIVGSVFQNPRTQFFNVDTNSEIVFGLENQGVSRDILKK-----RLKETCETLDINKLQNRNIFHLSGGEKQKIAFASVYAMNPDIYLLDEPSSNLDIPTIEVLKRHLSVLKNSGKTVIISEHRIY---YLMDLVDKVIYMKNG----------------QIQKSYSKEDFLNLSEDEIKAMALRCRKKTKLNIEMSNNEKHPYLQVNDFSIYRKDNCIINNMNFSANKGDIVAVIGSNGVGKTTFLRTLCGLHDNYKGDVLLNSKKTDAKKRRQKNYMVMQDVNYQLFAESVFAECKLGIENVSDDLIEEILNEFDLSDYKNNHPNTLSGGQKQRLAIAVGLICKKEIFVLDEPTSGLDYTNMVKTVELLKRYSK--DKIIFIATHDTEFANLICNRVLDLEK |
3J15 Chain:B ((100-532)) | -------------------------VKDGMVVGIVGPNGTGKTTAVKILAGQLIPNLCEDNDSWDNVIRAFRGNELQNYFERLKNGEI------RPVVKPQYVDLLPKAV-----KGKVRELLKKVDEVGKFEEVVKELELENVLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVI-HVVYGEPGVYGIFSKPKGTRNGINEFLQGYLKDENVRFRPYEIRFTKL----SERVDVERETLVEYPRL-VKDYGSFK-----LEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWDLTVAYKPQYIKAEY---EGTVYELL--SKIDSSKLN----SNFYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3J15.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86318 for 3116 contacts (-27.7/contact) +
2D Compatibility (PS) -42440 + (NN) -8452 + (LL) 3864
1D Compatibility (HY) -26400 + (ID) 5800
Total energy: -165546.0 ( -53.13 by residue)
QMean score : 0.361
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