Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDFIDEVKLYLKAGDGGDGCVSFRREKFVEFGGPNGGNGGKGGNIVFVSDANLNTLLNFRYRRHVKAGSGKSGASRDRSGTAGKNIVLKVPVGTQIIDEESEKIILDFNKPDMEFLIAQGGKGGLGNTNFKSSINRAPRHFTCGQFGEEKYVVLKLKVLSDVGIIGMPNAGKSKFLTRCSNADTKVGDYPFTTIKPHLGVAKVDNS--EVVIVDIPGIITDAHLGIGLGHKFLKHVERCKILLHLIDVTHDNVVSAYNCMRNELELYNSDLVKKEEIIVLNKCDLLRKVE--IFEKKNHLANYLNKEVLCLSI--GEDLQPILRLLNEKLKKGSSKKVDVYDPFKR |
| 2CE2 Chain:X ((3-165)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------EYKLVVVGAGGVGKSALTIQLIQNHFVD-ECDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYS----AMRD---QYMRTGEGFLCVFAINNTKSFEDIHQYREQIKRVKD-SDDVPMVLVGNKSDLAARTVESRQAQDL--ARSYGIPYIETSAKTRQGVEDAFYTLVREIRQH------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2CE2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -67643 for 1248 contacts (-54.2/contact) +
2D Compatibility (PS) -16604 + (NN) -4864 + (LL) 7044
1D Compatibility (HY) -800 + (ID) 950
Total energy: -83817.0 ( -67.16 by residue)
QMean score : 0.441
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