NMR Ensembles of Models: Difference between revisions

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==Alignment of Models==

NMR models are typically structurally aligned by the authors before publication. However, there are some exceptions, such as [[1qp6]], [[1dl0]], and [[1i25]], in which the individual models are not aligned. In such cases, one needs to look at [[#Individual_Models]] in order to understand the molecular structure.

NMR models are typically structurally aligned by the authors before publication. However, there are some exceptions, such as [[1qp6]], [[1dl0]], and [[1i25]], in which the individual models are not aligned. In such cases, one needs to look at [[#Individual_Models|individual models]] in order to understand the molecular structure.

The alignment can affect your perception of the variation between models. For example, calmodulin contains two [[EF-hands]] connected by a flexible linker. When calmodulin is not bound to a cognate peptide, the two EF-hands can move relative to each other, flexing the linker. In [[1cfc]], the N-terminal EF-hands are aligned, but the C-terminal EF-hands are in different orientations. Alternatively, had the C-terminal EF-hands been aligned, then the N-terminal EF-hands would be in variable orientations. And less plausibly, had a short center segment of the flexible linker been aligned, both ends would be in variable orientations.

NMR Ensembles of Models: Difference between revisions

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@@ Line 59: / Line 59: @@
 ==Alignment of Models==
-NMR models are typically structurally aligned by the authors before publication. However, there are some exceptions, such as [[1qp6]], [[1dl0]], and [[1i25]], in which the individual models are not aligned. In such cases, one needs to look at [[#Individual_Models]] in order to understand the molecular structure.
+NMR models are typically structurally aligned by the authors before publication. However, there are some exceptions, such as [[1qp6]], [[1dl0]], and [[1i25]], in which the individual models are not aligned. In such cases, one needs to look at [[#Individual_Models|individual models]] in order to understand the molecular structure.
 The alignment can affect your perception of the variation between models. For example, calmodulin contains two [[EF-hands]] connected by a flexible linker. When calmodulin is not bound to a cognate peptide, the two EF-hands can move relative to each other, flexing the linker. In [[1cfc]], the N-terminal EF-hands are aligned, but the C-terminal EF-hands are in different orientations. Alternatively, had the C-terminal EF-hands been aligned, then the N-terminal EF-hands would be in variable orientations. And less plausibly, had a short center segment of the flexible linker been aligned, both ends would be in variable orientations.