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Should you encounter any unexpected behaviour,
please let us know.
elNémo has been hacked on november 27th.
It has been moved away and runs again.
**Still some additional cleaning from time to time**
Sorry for the inconvenience.
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HIV-1 protease
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Upon ligand binding, the HIV-1 protease undergoes a significant conformational change between its
open (blue cartoon, 1hhp).
and its closed form (red cartoon, 1ajx).
Application of a normal mode perturbation of dq=60 in the direction of mode 11 transforms the open
form into the closed form (gold animated cartoon).
Using this perturbed template in molecular replacement (AMoRe) it becomes
possible to solve the structure of the closed form. The final R-free after CNS refinement of
the perturbed model is 46.0, compared to 54.1 when using the open form as a template
(see also Molmovdb
for an analysis of this protein's movement).
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click to enlarge (11.5MB)
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.
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