Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSHDL-LLNLKDLACGYASQKVVQDLDLHLNAGDIGCLLGPSGCGKTTTLRAIAGFEPVLAGQIELGGEVISRPGFTLAPEKRRIGMVFQDYALFPHLSVADNVGFG---IRKHPQR--ERLVRELLELVKLDHLAARHPHELSGGQQQRVALARALAPEPLLLLLDEPFSNLDVELRRSLSQEVREILKARGTSAILVTHDQEEAFAVCDHIGVFKEGHLEQWDTPYNLYHEPLTPFVASFVGQGYFIRGQLLSPDTVQTELGVIRGNRAYSLPSGSAVDVLLRPDDLVHAPQGELKARIVGKTFLGAATLYRLQLPTGTQLESIFPSHADHQPGDDVGIRVAADHLVVFAARGSVAAHLAPVQA |
3C4J Chain:A ((22-263)) | ----LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQ-LANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF----------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C4J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -141908 for 1928 contacts (-73.6/contact) +
2D Compatibility (PS) -24927 + (NN) -7451 + (LL) 7904
1D Compatibility (HY) -18400 + (ID) 3950
Total energy: -188732.0 ( -97.89 by residue)
QMean score : 0.346
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