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Exact(5)
To obtain the face shift angle, for each snapshot the post-proline segment, which included the Pro Cα atom was rotated so that both pre and post-proline helical parts shared a long axis [59].
Using the Prokink analysis tool [59] implemented in the Simulaid suite [60] we found that for most TMs, the bend angle and face shift values produced by TM helix breakers change significantly in the transitions (Table 5).
The face shift angle was then calculated as the angle between projections of two vectors onto the plane perpendicular to the long axis: these vectors are the on connecting the Pro Cα atom with the Cartesian origin, and the average vector connecting the Cα atoms of the (i-3) and (i-4) amino acids with the origin.
The bend angle, which measures the extent of helical kink, is defined as the angle between pre-kink and post-kink parts in a TM, and the face shift angle describes the distortion that causes a helix to twist in such a way that amino acids previously facing the same side of the helix are now shifted and positioned on different sides of the TM [59].
These dynamic conformational changes include the kinking of the TM segment (residues 265 288), and the twisting (face shift) motion of the TM.
Similar(55)
The look on my father's face shifted.
When the smile fades, her face shifts back.
He grins again, his face shifting from seriousness to ridiculousness in one fluid stroke.
A few feet away, Cole Michael Mohr, a blue-eyed model with a wolfish face, shifted impatiently from foot to foot.
We were standing amid the bustle of the kitchen, and the look on his face shifted before he answered.
THE alliance forged after the second world war between the United States and Japan the linchpin of Asia's security—has swivelled to face shifting threats.
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