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These models were fitted into the ab initio molecular envelope using the program Chimera.
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For each protein, 10 independent ab initio molecular envelopes were generated using DAMMIF 33) in "slow" mode imposing P2 symmetry using the scattering data from the highest-concentration sample.
Ab initio molecular envelopes were calculated using the DAMAVER program suite, part of the ATSAS package [ 52, 53].
This is also expected, because the density cutoff used to produce the molecular envelope depends on the molecular volume and on the background scattering of the electrons beam hence on the EM method and the experimental conditions [21], [24].
These data were used to generate a molecular envelope for the complex, which confirmed the C-shaped architecture.
The DAMAVER program was used to produce an average model and create a solvent reduced molecular envelope from 15 independent ab initio models built in DAMMIN followed by DAMFILT for filtering to obtain a representative dummy atom model.
Ab initio shape reconstructions from the experimental SAXS profile alone using GASBOR (Svergun et al, 2001) highlight the elongated shape of the dimeric talin 2300 2541 polypeptide; the calculated molecular envelope is shown in Figure 4B.
Therefore, convection may occur throughout the planet's outer molecular envelope.
The resultant 3D molecular envelope contained five major densities in a nonlinear arrangement (Fig. 7D).
The molecular envelope for n-PTEN reveals an elongated extension proximal to the C2 domain.
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