Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSKLQLRAVVADRRLDVEFSVSAGEVLAVLGPNGAGKSTALHVIAGLLRPDAGLVRLGDRVLTDTEAGVNVATHDRRVGLLLQDPLLFPHLSVAKNVAFGPQCRRGMFGSGRARTRASALRWLREVNAEQFADRKPRQLSGGQAQRVAIARALAAEPDVLLLDEPLTGLDVAAAAGIRSVLRSVVARSGCAVVLTTHDLLDVFTLADRVLVLESGTIAEIGPVADVLTAPRSRFGARIAGVNLVNGTIGPDGSLRTQSGAHWYGTPVQDLPTGHEAIAVFPPTAVAVYPEPPHGSPRNIVGLTVAEVDTRGPTVLVRGHDQPGGAPGLAACITVDAATELRVAPGSRVWFSVKAQEVALHPAPHQHASS |
| 4YMV Chain:A ((20-230)) | ----------------VTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFI-DGVKINN-GKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKM---NKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQ-LANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNE---------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4YMV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -133417 for 1666 contacts (-80.1/contact) +
2D Compatibility (PS) -22991 + (NN) -11909 + (LL) 7852
1D Compatibility (HY) -16800 + (ID) 3650
Total energy: -180915.0 ( -108.59 by residue)
QMean score : 0.522
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