Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSHDLLLNLKDLACGYASQKVVQDLDLHLNAGDIGCLLGPSGCGKTTTLRAIAGFEPVLAGQIELGGEVISRPGFTLAPEKRRIGMVFQDYALFPHLSVADNVGFG---IRKHPQR--ERLVRELLELVKLDHLAARHPHELSGGQQQRVALARALAPEPLLLLLDEPFSNLDVELRRSLSQEVREILKARGTSAILVTHDQEEAFAVCDHIGVFKEGHLEQWDTPYNLYHEPLTPFVASFVGQGYFIRGQLLSPDTVQTELGVIRGNRAYSLPSGSAVDVLLRPDDLVHAPQGELKARIVGKTFLGAATLYRLQLPTGTQLESIFPSHADHQPGDDVGIRVAADHLVVFAARGSVAAHLAPVQA |
| 3C41 Chain:J ((3-242)) | -----MIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQ-LANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF----------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139673 for 1914 contacts (-73.0/contact) +
2D Compatibility (PS) -24856 + (NN) -6921 + (LL) 8080
1D Compatibility (HY) -18000 + (ID) 3900
Total energy: -185270.0 ( -96.80 by residue)
QMean score : 0.331
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