Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSKLQLRAVVADRRLDVEFSVSAGEVLAVLGPNGAGKSTALHVIAGLLRPDAGLVRLGDRVLTDTEAGVNVATHDRR-VGLLLQDPLLFPHLSVAKNVAFGPQCRRGMFGSGRARTRASALRWLREVNAEQFADRKPRQLSGGQAQRVAIARALAAEPDVLLLDEPLTGLDVAAAAGIRSVLRSVVARSGCAVVLTTHDLLDVFTLADRVLVLESGTIAEIGPVADVLTAPRSRFGARIAGVNLVNGTIGPDGSLRTQSGAHWYGTPVQDLPTGHEAIAVFPPTAVAVYPEPPHGSPRNIVGLTVAEVDTRGPTVLVRGHDQPGGAPGLAACITVDAATELRVAPGSRVWFSVKAQEVALHPAPHQHASS |
| 4QC2 Chain:B ((21-225)) | ---------------DVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAG----NIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQR-EDRANEL--MEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEH-LRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEIL---------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4QC2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -120564 for 1528 contacts (-78.9/contact) +
2D Compatibility (PS) -22176 + (NN) -10803 + (LL) 9336
1D Compatibility (HY) -18000 + (ID) 3450
Total energy: -165657.0 ( -108.41 by residue)
QMean score : 0.513
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