Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAETQGGDVLVSFRGVQKSYDGETLIVKDLNLDIRKGEFLTLLGPSGSGKTTSLMMLAGFETPTAGEILLAGRSI----NNVPPHKRDIGMVFQNYALFPHMTVAENLAF-PLSVRGMSKTDVKERVKRALSMVQLDAFAGRYPAQLSGGQQQRVALARALVFEPQLVLMDEPLGALDKQLREHMQMEIKHLHQRLGVTVVYVTHDQGEALTMSDRVAVFHQGEIQQIEPPRNLYEQPRNTFVANFIGENNRLSGQLLSCDGERCVVGLPRGEKVEALAVNVGQPGEPVTLSIRPERVRLNGASESCVNRFSGRVAEFVYLGDHVRVRLEVCGRDDFFVKQPIAELDPTLSVGDVVPLGWQVEHVRALDPLPAA |
3C41 Chain:K ((3-240)) | ---------MIDVHQLKKSF-GSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF--------------------------------------------------------------------------------------------------------------------------- |
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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) -136620 for 1917 contacts (-71.3/contact) +
2D Compatibility (PS) -24803 + (NN) -9223 + (LL) 7472
1D Compatibility (HY) -22400 + (ID) 4400
Total energy: -189974.0 ( -99.10 by residue)
QMean score : 0.496
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