Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSKLQLRAVVADRRLDVEFSVSAGEVLAVLGPNGAGKSTALHVIAGLLRPDAGLVRLGDRVLTDTEAGVNVATHDRRVGLLLQDPLLFPHLSVAKNVAFGP---QCRRGMFGSGRARTRASALRWLREVNAEQ-FADRKPRQLSGGQAQRVAIARALAAEPDVLLLDEPLTGLDVAAAAGIRSVLRSVVARSGCAVVLTTHDLLDVFTLADRVLVLESGTIAEIGPVADVLTAPRSRFGARIAGVNLVNGTIGPDGSLRTQSGAHWYGTPVQDLPTGHEAIAVFPPTAVAVYPEPPHGSPRNIVGLTVAEVDTRGPTVLVRGHDQPGGAPGLAACITVDAATELRVAPGSRVWFSVKAQEVALHPAPHQHASS |
| 3TIF Chain:A ((23-223)) | ---------------NVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVEL-PLIFKYRGAMSGEER---RKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHD-INVARFGERIIYLKDGEV-------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TIF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -123057 for 1555 contacts (-79.1/contact) +
2D Compatibility (PS) -21321 + (NN) -12271 + (LL) 9168
1D Compatibility (HY) -14000 + (ID) 3600
Total energy: -165081.0 ( -106.16 by residue)
QMean score : 0.440
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