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attracts biological interest, not other motions that are thermally permitted (and which may
also serve an unknown but biologically important purpose).
HAG Hinges coincided with some minima of FO1 energy (dotted black trace). Other
minima, however, did not so coincide.
Coarse-grained geometric information was insufficient to predict the hinges of interest, as
evidenced by the hNMa (dotted magenta trace) method’s failure to identify them. Recall
that the Gaussian Network Model used to implement the NSHP method uses only alpha-
carbon position information. Similarly, StoneHinge and TLSMD did not coincide with
the HAG hinges.
NMR studies[49, 83], however, indicate that that residues 83-91 are unstable (much like
the analogous region of calmodulin, residues 76-81) and tend to unwind, so TLSMD,
NSHP, StoneHinge, and (consequently) HingeMaster succeeded in finding an
experimentally characterized motion not annotated in HAG. See (a) above. This
underscores the possibility that unexpected results are not necessarily incorrect, but may
reflect undiscovered phenomena.
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