Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKLQLRAVVADRRLDVEFSVSAGEVLAVLGPNGAGKSTALHVIAGLLRPDAGLVRLGDRVLTDTEAGVNVATHDRRVGLLLQDPLLFPHLSVAKNVAFGPQCRRGMFGSGRARTRASALRWLREVNAEQFADRKPRQLSGGQAQRVAIARALAAEPDVLLLDEPLTGLDVAAAAGIRSVLRSVVARSGCAVVLTTHDLLDVFTLADRVLVLESGTIAEIGPVADVLTAPRSRFGARIAGVNLVNGTIGPDGSLRTQSGAHWYGTPVQDLPTGHEAIAVFPPTAVAVYPEPPHGSPRNIVGLTVAEVDTRGPTVLVRGHDQPGGAPGLAACITVDAATELRVAPGSRVWFSVKAQEVALHPAPHQHASS |
2Q0H Chain:A ((43-251)) | ----------------INVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREE--VGMVFQRFNLFPHMTVLNNITLAPMKVRKW---PREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQ-LANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQ------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2Q0H.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -142438 for 1653 contacts (-86.2/contact) +
2D Compatibility (PS) -22785 + (NN) -11605 + (LL) 8192
1D Compatibility (HY) -16800 + (ID) 3800
Total energy: -189236.0 ( -114.48 by residue)
QMean score : 0.449
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