Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKLQLRAVVADRRLDVEFSVSAGEVLAVLGPNGAGKSTALHVIAGLLRPDAGLVRLGDRVLTDTEAGVNVATHDRR-VGLLLQDPLLFPHLSVAKNVAFGPQCRRGMFGSGRARTRASALRWLREVNAEQFADRKPRQLSGGQAQRVAIARALAAEPDVLLLDEPLTGLDVAAAAGIRSVLRSVVARSGCAVVLTTHDLLDVFTLADRVLVLESGTIAEIGPVADVLTAPRSRFGARIAGVNLVNGTIGPDGSLRTQSGAHWYGTPVQDLPTGHEAIAVFPPTAVAVYPEPPHGSPRNIVGLTVAEVDTRGPTVLVRGHDQPGGAPGLAACITVDAATELRVAPGSRVWFSVKAQEVALHPAPHQHASS |
4P32 Chain:B ((20-224)) | ---------------DVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAG----NIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQR-EDRANEL--MEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEH-LRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEIL---------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4P32.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -133702 for 1582 contacts (-84.5/contact) +
2D Compatibility (PS) -22201 + (NN) -10288 + (LL) 9336
1D Compatibility (HY) -18000 + (ID) 3450
Total energy: -178305.0 ( -112.71 by residue)
QMean score : 0.485
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