Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSKLQLRAVVADRRLDVEFSVSAGEVLAVLGPNGAGKSTALHVIAGLLRPDAGLVRLGDRVLTDTEAGVNVATHDRRVGLLLQDPLLFPHLSVAKNVAFGPQCRRGMFGSGRARTRASALRWLREVNAEQFADRKPRQLSGGQAQRVAIARALAAEPDVLLLDEPLTGLDVAAAAGIRSVLRSVVARSGCAVVLTTHDLLDVFTLADRVLVLESGTIAEIGPVADVLTAPRSRFGARIAGVNLVNGTIGPDGSLRTQSGAHWYGTPVQDLPTGHEAIAVFPPTAVAVYPEPPHGSPRNIVGLTVAEVDTRGPTVLVRGHDQPGGAPGLAACITVDAATELRVAPGSRVWFSVKAQEVALHPAPHQHASS |
| 3C41 Chain:K ((22-230)) | ----------------INVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREE--VGMVFQRFNLFPHMTVLNNITLAPMKVRKW---PREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQ-LANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQ------------------------------------------------------------------------------------------------------------------------------------------ |
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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) -155637 for 1653 contacts (-94.2/contact) +
2D Compatibility (PS) -22408 + (NN) -9622 + (LL) 8192
1D Compatibility (HY) -16800 + (ID) 3800
Total energy: -200075.0 ( -121.04 by residue)
QMean score : 0.434
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