Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MANVQYSAVTQRYPGADAPTVDNLDLDIADGEFLVLVGPSGCGKSTTLRVLAGLEPIESGRISIGDVDV----THLPPRARDVAMVFQNYALYPNMTVAANMGFA-LRNAGMSRADTRRRVLEVADMLELTDLLDRKPAKLSGGQRQRVAMGRAIVRRPRVFCMDEPLSNLDAKLRVSTRSQISGLQRRLGTTTVYVTHDQVEAMTMGDRVAVLKDGVLQQVDTPRALYDDPVNTFVATFIGAPAMNLIDAAVAHGVVRAPDLAIPVPDPAAERVLVGVRPESWDVASIGTPGSLTVHVELVEELGFESFVYATPVDQRGWSSRAPRIVFRTDRRTAVRVGESLAIVPHSQEVRLFNSRTETRLR |
| 3C41 Chain:K ((22-238)) | -----------------------INVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFL---------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -119058 for 1693 contacts (-70.3/contact) +
2D Compatibility (PS) -22942 + (NN) -6642 + (LL) 10016
1D Compatibility (HY) -18400 + (ID) 3850
Total energy: -160876.0 ( -95.02 by residue)
QMean score : 0.421
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