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Residue geometry

Figure 2. A contour diagram of the conformational energy of p-cellobiose computed from eqn. (6) holfing constant all variables except < ), v see ref. 5 for details. The rigid glucose residue geometry was taken from ref. 23, and the valence angle p at 04 was chosen as 116 in accordance with the results of pertinent crystal structure determinations. Contours are drawn at 2,4, 6, 8,10,25, and 50 kcal/mol above the absolute minimum located near ( ), v = -20 , -30 higher energy contours are omitted. Figure 2. A contour diagram of the conformational energy of p-cellobiose computed from eqn. (6) holfing constant all variables except < ), v see ref. 5 for details. The rigid glucose residue geometry was taken from ref. 23, and the valence angle p at 04 was chosen as 116 in accordance with the results of pertinent crystal structure determinations. Contours are drawn at 2,4, 6, 8,10,25, and 50 kcal/mol above the absolute minimum located near ( ), v = -20 , -30 higher energy contours are omitted.
Figure 3. Coiqparison of the residue geometries used to make the tetramers in Figure 2. Figure 3. Coiqparison of the residue geometries used to make the tetramers in Figure 2.
Using the two-chain unit-cell,3 with a = 0.817 nm, b = 0.785 nm, c = 1.034 nm, andy = 96.38°, the modified intensity-data of Mann and coworkers,37 and several residue-geometries, the structure of native ramie cellulose was refined. The resulting R factors were 15.8%, 18.5%, and 17.5% for, the antiparallel, parallel-up, and parallel-down models, respectively. A temperature factor of 0.23 nm2 was necessary in order to obtain a good fit with the observed data. It was suggested that the antiparallel packing of the chains cannot be discounted for cotton and ramie celluloses. [Pg.386]

Sarko - Muggl SRRC 1 Residue Geometry Computer Program. 06 tg ... [Pg.29]

We first consider two model polypeptides an a-helix consisting of 15 alanine residues and an anti-parallel -sheet consisting of 17 glycine residues. Geometries of the polypeptides were obtained with the MMFF force field using the spartan... [Pg.506]

As this approach results in very strong steric repulsions it has been termed a hard sphere model. Although the HSEA force field is similar in its use of rigid-residue geometries to early force fields for proteins, such as ECEPP, it has several features that are unique. [Pg.221]


See other pages where Residue geometry is mentioned: [Pg.16]    [Pg.120]    [Pg.120]    [Pg.121]    [Pg.138]    [Pg.163]    [Pg.164]    [Pg.191]    [Pg.197]    [Pg.199]    [Pg.199]    [Pg.201]    [Pg.201]    [Pg.258]    [Pg.260]    [Pg.284]    [Pg.76]    [Pg.183]    [Pg.83]    [Pg.86]    [Pg.88]    [Pg.518]    [Pg.519]    [Pg.137]    [Pg.397]    [Pg.93]    [Pg.69]    [Pg.72]    [Pg.337]    [Pg.340]   
See also in sourсe #XX -- [ Pg.197 , Pg.198 ]

See also in sourсe #XX -- [ Pg.76 ]




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