For lysine 113 in Air-AAR1-Like, we selected a rotamer
with a probability of 0.
18 (note: numbers in parentheses indicate Rotamer
In this regard, it was suggested to calculate the energy difference between conformer (I) and its rotamer
that results from rotating the O1-C1 bond 180@ (the new dihedral angle H1-O1-C1-C2= 180@) (Fig.
1999, "Equilibrium and kinetics of rotamer
interconversion in immunosuppressant prodigiosin derivatives in solution," J.
There is evidence in the literature to indicate that the two peaks observed in the NMR spectrum are most probably due to rotation about the N-N bond, altering the field on the amide carbonyl (47) (48) and thereby giving rise to two rotamer
forms, as illustrated in the inset of Fig.
00 ppm (in a 5:1 ratio), each one corresponding to one rotamer
All the data collected indicates there are two conformers; the anti conformer is the more stable rotamer
and the gauche conformer in the fluid states but only the gauche conformer in the poly-crystalline solid.
Protein Sidechain Database for homology modeling, rotamer
exploration and mutation.
To predict the probabilistic likelihood for the particular rotamer
of a given SC in the model, the distribution of the [[chi].
Isolation and identification of flavonoids, including flavone rotamers
, from the herbal drug 'Crataegi folium Flore' (Hawthorn), Phytochemical analysis, 16: 334-341, 2005.
4 in which the influence of the THF ring's orientation on the potential energy of the rotamers
The topics include macromolecules and Chimera, algorithms dealing with distance, structure overlap and alignment, and rotamers
and side-chain conformation.