Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MASVSFEQATRRYPGTDRPALDRLDLIVGDGEFVVLVGPSGCGKTTSLRMVAGLETLDCGRIRIGERDV----TEVDPKDRDVAMVFQNYALYPHMTVAQNMGFA-LKVAKIGKAEIRERVLAAAKLLDLQSYLDRKPKDLSGGQRQRVAMGRAIVRRPQVFLMDEPLSNLDAKLRGQTRNQIAALQRQLGTTTVYVTHDQVEAMTMGDRVAVLSDGVLQQCASPRELYRNPGNVFVAGFIGSPAMNLFRLSIADSTVSLGDWQILLPRAVVGTAAEVIIGVRPEHLELGGAGIEMDVDMVEELGADAYLYGRIVSGGCEMDQSIVARVDGRGPPERGSRVRLCPTPGHLHFFAVDGRRIPG |
| 3C41 Chain:K ((19-240)) | --------------------LKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSK----------------------------------------------------------------------------------------------------------------------- |
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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) -115247 for 1735 contacts (-66.4/contact) +
2D Compatibility (PS) -24036 + (NN) -11406 + (LL) 8000
1D Compatibility (HY) -17600 + (ID) 3800
Total energy: -164089.0 ( -94.58 by residue)
QMean score : 0.458
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