ライフサイエンスコーパス: dihedral angle

1 s follow a squared cosine trend with varying dihedral angle.

2 stereochemistry, and flexibility in the psi dihedral angle.

3 al cation followed by a decrease in the flap dihedral angle.

4 ith a single repetitive (+)-gauche interunit dihedral angle.

5 ance spectroscopy to measure the H-C14-C15-H dihedral angle.

6 ations of the pKa as a function of the C6-C7 dihedral angle.

7 vealed no preferred C-X...C horizontal lineO dihedral angle.

8 h distinct conformations around the CC-SS-CC dihedral angles.

9 hexamer shape, as defined by subunit-subunit dihedral angles.

10 l J(H-H) coupling constants as a function of dihedral angles.

11 accompanied by strong flattening of the ring dihedral angles.

12 selectivity than related ligands with larger dihedral angles.

13 stance restraints, 12 hydrogen bonds, and 44 dihedral angles.

14 , on average, are observed at all remaining dihedral angles.

15 obtained by rigid rotation of all side-chain dihedral angles.

16 conformation, in agreement with the obtained dihedral angles.

17 the phenyl results in increased phenyl-vinyl dihedral angles.

18 ed with longer DNA binding sites and smaller dihedral angles.

19 overned by the Fe-O-C angle and the Fe-O-C-C dihedral angles.

20 f the 1.1-A X-ray structure as input for the dihedral angles.

21 ylene rings, as determined by their relative dihedral angles.

22 motifs and the long-range correlation of the dihedral angles.

23 Si-C bonds due to twisting of the C-Si-Si-C dihedral angle (163.6 degrees ).

24 he thiophene rings are nearly perpendicular (dihedral angle 75 degrees ), indicating considerable ste

25 correlates (3)J(PH) with phosphorus-hydrogen dihedral angle, a recently reported glycine-derived 1,3,

26 o isomers of cyclo-l-cystine differ in their dihedral angle about the disulfide bond; the M isomer (w

27 n at one end and a hexagon at the other, the dihedral angle about the edge increases, producing a dih

28 ransition states correspond to flattening of dihedral angles about specific imine bonds.

29 a pentagon to a hexagon has a DAD, since the dihedral angles about the edge broaden from its pentagon

30 The side-chain dihedral-angle accuracy of the program is comparable to

31 ng for control of the omega, varphi, and psi dihedral angles adopted by the systems.

32 ameter metric based on the comparison of the dihedral angles along all edges of the coordination poly

33 In the simulations, the sampling of all five dihedral angles along the linker was enhanced, so that b

34 lues of the probabilities of the most likely dihedral angles along the sequence.

35 The dihedral angles alpha = angle(C1-C2-C3-N4) and beta = an

36 eta but also coupled changes in the backbone dihedral angles alpha and gamma.

37 rees) in the characteristic hydrocarbon-base dihedral angles (alpha' and beta') as well as the glycos

38 diyne-bridged oligomers, where the preferred dihedral angles amount to roughly 30 degrees and 0 degre

39 nformational reorganization of the distorted dihedral angle and distance between amide units at chemi

40 required to accurately evaluate the glycosyl dihedral angle and the anomeric ratio.

41 troscopy NMR studies suggest that the biaryl dihedral angle and the electronic nature of ortho-substi

42 he correlation (P < 0.001) between the dione dihedral angle and the preferential inhibition of either

43 ents, including 41 restraints on 19 backbone dihedral angles and 35 (13)C-(15)N distances between 3 a

44 these two regions allows for variability in dihedral angles and concomitant differences in chain con

45 ar the target base in position to rotate the dihedral angles and flip the base out of the DNA duplex.

46 ly rich with information about both backbone dihedral angles and hydrogen bonding.

47 ured distinct patterns of change in backbone dihedral angles and hydrogen bonds.

48 ring pucker leads to inappropriate mainchain dihedral angles and interstrand steric clashes.

49 erved to be dependent on the O-Mo-S-C(alpha) dihedral angles and ligand types, being relatively large

50 Analysis of putative backbone dihedral angles and N- to C-terminal dipeptide distances

51 erize the various properties of the backbone dihedral angles and secondary structural motifs of the g

52 Backbone dihedral angles and secondary structure predicted from t

53 t-mean-square fluctuations, and variation in dihedral angles), and variability in designed structures

54 22 A based on 51 NOE, 6 hydrogen bond, 6 phi dihedral angle, and 3 disulfide bond constraints.

55 lide at the G7C8.C18G17 base pair step, G6G7 dihedral angle, and overall bend angle.

56 restraints in conjunction with NOE distance, dihedral angle, and scalar coupling restraints.

57 The method includes flexible bond and dihedral angles, and a Gaussian bias is applied with dri

58 eometry that includes control over position, dihedral angles, and cluster chirality.

59 ecay rates of the angle between the dipoles, dihedral angles, and distance autocorrelations obtained

60 a)-C(alpha) virtual bond lengths, angles and dihedral angles, and the X-ray structure is best-fitted

61 g dynamics, water permeability (p(f)), and a dihedral angle are defined as functional order parameter

62 Greater variation in backbone dihedral angles are accessible in peptoids featuring tra

63 Instead, the dihedral angles are directly determined from infrared an

64 nformer families differing in characteristic dihedral angles are identified within a range of 16 kcal

65 Long side chains with three or more dihedral angles are often subject to large conformationa

66 "Twisted" amides containing nonstandard dihedral angles are typically hypersensitive to hydrolys

67 ggling algorithm against a code in which the dihedral angles are varied independently (thrashing).

68 f high-quality correlation plots between the dihedral angles around a residue and those between seque

69 tructure with the same energy, for which the dihedral angles around the flexible ring have opposite s

70 ts deviate significantly from planarity with dihedral angles around the imide group reaching ca. -150

71 The reverse system has a larger dihedral angle as well as a modified spatial relationshi

72 ations can arise either because of incorrect dihedral angle assignments or secondary structural prope

73 rted here as changes in O-atom locations and dihedral angles, become stronger for larger, more substi

74 unique Archimedean solid with all edges and dihedral angles being equal, the icosidodecahedron, and

75 ransition state also suggests that a minimum dihedral angle between C-H bonds and Pd-OAc bonds is cru

76 By fixing the dihedral angle between different sets of vicinal protons

77 ndence of the charge-transfer rates upon the dihedral angle between donor and acceptor stilbenes.

78 in a global bend angle of about 38(o) and a dihedral angle between platinated guanine bases of appro

79 The dihedral angle between the beta-H and nitroxyl O bonds i

80 Because this depends on the dihedral angle between the lone pair and the C-H, a furt

81 The dihedral angle between the M(2) units of each molecule i

82 d dissolved PCB was assumed to depend on the dihedral angle between the phenyl rings.

83 ose to perpendicular orientation (the actual dihedral angle between the planes of the imidazole ligan

84 in close to parallel orientation (the actual dihedral angle between the planes of the imidazole ligan

85 These structural studies indicate that the dihedral angle between the two planes formed by the two

86 he distance between the chromophores and the dihedral angle between their transition dipoles [Deltaep

87 ations of residue triplets and depend on the dihedral angles between consecutive residues.

88 </=kBT, likely controlled by the movement of dihedral angles between monomer units.

89 oops 3 and 5 have ribbon-like structure with dihedral angles between neighboring rings near zero.

90 to the Pd-aryl bond were correlated with the dihedral angles between Pd and endo-beta-H.

91 of electronic coupling is controlled by the dihedral angles between the terephthalate C6 ring and th

92 position and then were used to determine the dihedral angles between the two peptide groups by means

93 the unusual match between residue-level PP2 dihedral angle bias in the unfolded state and PP2 helica

94 drogen atoms on the ring with identical PNCH dihedral angles but measured coupling constants of appro

95 calized perturbation in hydrogen bonding and dihedral angles, but the hydrophobic residue of a G4G in

96 solution potential is built as a function of dihedral angles by a smoothing procedure and continuous

97 (MC) motions [represented by coarse-grained dihedral angles (CGDAs) gamma(n) based on four successiv

98 der physiological conditions, their backbone dihedral angles change synchronously in groups of four o

99 Dihedral angle changes suggested by molecular dynamics s

100 n energies identify a region for C4-C5-C6-N2 dihedral angle changes where deshielding of C4 is correl

101 Examination of the dihedral angles changes upon ligand binding shows that t

102 The distributions of the side-chain dihedral angle chi(1) of Val and Thr in proteins of know

103 ophene rings in 3 and 4 are nearly coplanar (dihedral angle close to 0 degrees ) and they adopt the a

104 itative understanding of why some side-chain dihedral angle combinations are highly populated and oth

105 cids in peptides and proteins adopt specific dihedral angle combinations; however, we still do not ha

106 ilane CH(2)Si(4)Me(8) (1), with the smallest dihedral angle, comparison of MCD with absorption spectr

107 (13)C chemical shift variations in terms of dihedral angle conformation changes.

108 distal end chain order with primarily trans dihedral angle conformations.

109 distal end chain order with primarily trans dihedral angle conformations; the extension of these ord

110 a knowledge-based potential for a residue's dihedral angles, considering the identity and conformati

111 library, the backbone preferentially adopts dihedral angles consistent with the polyproline II confo

112 Applied dihedral angle constraints are representative of the sec

113 ogen bonding, residual dipolar coupling, and dihedral angle constraints were used to calculate a set

114 total of 2220 NOE distance constraints, 258 dihedral angle constraints, and 168 backbone hydrogen bo

115 Distance constraints, dihedral angle constraints, hydrogen bonds, and (1)H and

116 Using both distance and dihedral angle constraints, the structure of microcrysta

117 eine disulfides has significant distance and dihedral angle constraints.

118 proximately 70% of both the distance and the dihedral-angle constraints, and possesses the characteri

119 5, in addition to changes of the C4-C5-C6-N2 dihedral angle could be consistent with visible absorpti

120 ficant out-of-plane twist of the H-C14-C15-H dihedral angle could be observed.

121 nstrate that the mean-square displacement of dihedral angles, defined by 4 successive C(alpha) atoms,

122 tes between the main populated basins in the dihedral angle density plots.

123 (2) To what extent are the native dihedral angles determined by local (dihedral) potential

124 lems within the molecules as well as updated dihedral-angle diagnostics, and it can calculate and dis

125 ometric constraint-exclusion of head-to-tail dihedral angle discrepancies (DADs)-explains this limite

126 posed that fullerene cages with head-to-tail dihedral angle discrepancies do not self-assemble.

127 angle about the edge increases, producing a dihedral angle discrepancy (DAD) vector.

128 and n variables, where the equations set the dihedral angle discrepancy about different types of edge

129 We find that the dihedral angle distribution for a residue can significan

130 ose of this study was to analyze and compare dihedral angle distribution functions of the side chains

131 To calculate the dihedral angle distribution functions, the configuration

132 varies as a function of the pigment-pigment dihedral angle distribution.

133 The 2D spectra are well simulated using dihedral angle distributions around the average values (

134 ntrast, we show that the observed side-chain dihedral angle distributions for both Val and Thr can be

135 odel predictions and the observed side-chain dihedral angle distributions for Leu and Ile.

136 observe striking differences in the backbone dihedral angle distributions for the protein unfolded un

137 ates how the force dependence of the protein dihedral angle distributions give rise to the worm-like

138 l transmission in peptides and proteins from dihedral angle dynamics observed in extended molecular d

139 in contains three bonds, two angles, and one dihedral angle; effective harmonic bonds are used to des

140 B(I) and B(II) associated with the backbone dihedral angles epsilon and zeta but also coupled change

141 ally stable, and we find good agreement with dihedral angles estimated from solid-state NMR experimen

142 vered that the glycine hinge adopts backbone dihedral angles favored in D-amino acids and that incorp

143 ackbone is highly extended, with phi and psi dihedral angles favoring the beta or P(II) regions.

144 We systematically investigate small (dihedral angle flips in a protein), large (nucleosome ta

145 proteins arising due to intrinsic varphi-psi dihedral angle fluctuations dictate the course of protei

146 The dihedral angle for the Pd(diphosphine)(2) complexes vari

147 (2,1)) over 360 degrees results in up to six dihedral angles for a given nuW3.

148 This was unexpected because the range of dihedral angles for arginine is limited relative to glyc

149 Consideration of a Newman plot of dihedral angles for proteinaceous tryptophans taken from

150 approach also produces geometric parameters (dihedral angles for the beta-methylene hydrogens) that s

151 mophore, including rotation of the (C11-C12) dihedral angle from -11 degrees in the 11-cis isomer to

152 A profound change in dihedral angle from trans-planar((OCCF)) to cis-planar((

153 Calculation of psi and phi dihedral angles from the chemical shift assignments indi

154 nds containing biaryl backbones with smaller dihedral angles generate catalysts that react with highe

155 Short residues with one or two dihedral angles had higher correlations and smaller Manh

156 UVRR nuW3 mode with the tryptophan chi(2,1) dihedral angle has been extended to a full, 360 degrees

157 landscape as a function of the corresponding dihedral angles has been determined for each glycosidic

158 ite with restricted rotation of the backbone dihedral angles; however, it does not have a well-define

159 ate, as measured by deviations of side-chain dihedral angles; however, often due to multiple atomic c

160 has mostly been on constraining the backbone dihedral angles; however, the correct orientation of the

161 energy profile generated by varying the psi dihedral angle in Ace-Pro-NMe indicates that the conform

162 sed conformational energy of the C4-C5-C6-N2 dihedral angle in the intact protein in the Pr state.

163 tions show that variation of the histidines' dihedral angles in coordinating Cu controls the coupling

164 ith the observed distributions of side-chain dihedral angles in proteins of known structure.

165 Stable extended conformations with dihedral angles in the beta-sheet region were obtained f

166 onic effects that preorganize the main-chain dihedral angles in the conformation found in the triple

167 olves the trans to gauche transitions of the dihedral angles in the GAAA tetraloop.

168 lymers as a result of covalently constrained dihedral angles in the substituents (not the backbone),

169 ith suitable bridge lengths, a change in the dihedral angle induced a switch of the binaphthyl units

170 The Os-C-C-H dihedral angle is 106.7(2) degrees , indicating that the

171 The RNCNR dihedral angle is approximately 0 degrees for even-numbe

172 complex are not coplanar, and the resulting dihedral angle is consistent with negative supercoiling.

173 The dihedral angle is found to decrease to 147 +/- 10 degree

174 known structures indicate that the U-O(2)-U dihedral angle is inherently bent.

175 membered lactone the smallest Pd/endo-beta-H dihedral angle is observed for a conformer with a compar

176 ger range of conformations; however, the Phi dihedral angle is restricted to values smaller than 30 d

177 yramidal coordination, where the Cl-Si-Si-Cl dihedral angle is twisted by 43.3 degrees (calcd 45.9 de

178 st of the C(15) methine bridge about its two dihedral angles is reversed.

179 a Schellman motif to cap an alpha-helix; its dihedral angles lie in the right side of the Ramachandra

180 ment, measured by phi, psi, chi1, and pseudo-dihedral angles more accurately classify kinase crystal

181 he side chains undergo larger changes in the dihedral angle most distant from the backbone.

182 rapid algorithm using only single (phi,psi) dihedral angle moves also generates tertiary structures

183 -ribosyl ring pucker and the O5'-C5'-C4'-O4' dihedral angle near 60 degrees .

184 milar for both enzymes, with C3'-C4'-C5'-O5' dihedral angles near -170 degrees .

185 It is shown that dihedral angles near 90 degrees between the porphyrin pl

186 e rotation around the F-C-S horizontal lineO dihedral angle of (fluoromethyl)methyl sulfoxide was eva

187 about the disulfide bond; the M isomer (with dihedral angle of -90.1 degrees) is found to be slightly

188 onformation for ribose and a H1'-C1'-C2'-H2' dihedral angle of 53 degrees at the transition state.

189 he two bases are found not to be coplanar; a dihedral angle of 6.1 degrees between the base planes is

190 rbenium-ion corresponding to H1'-C1'-C2'-H2' dihedral angle of 70 degrees.

191 , BIT-(NHexyl)2 is a twisted molecule with a dihedral angle of 78 degrees between the charged planes.

192 texturally equilibrated pore network with a dihedral angle of approximately 85 degrees .

193 A dihedral angle of around +40 degrees is the best represe

194 he pyridinium and benzene rings in 11 form a dihedral angle of only 3.9 degrees (cf. pyridine-benzene

195 l energy function governing the C(11)==C(12) dihedral angle of retinal, completes within 150 fs and y

196 The U-O(2)-U dihedral angle of the peroxo bridge is tuned by the size

197 he atomic position data as a function of the dihedral angle of the rotator.

198 These "ABA" states correspond to consecutive dihedral angles of -55 degrees /+130 degrees /-55 degree

199 le of only 3.9 degrees (cf. pyridine-benzene dihedral angles of 35.4 degrees and 31.4 degrees in 9, a

200 EPR signal occurs between axial ligand plane dihedral angles of 70 degrees and 30 degrees.

201 e, previous studies have suggested that some dihedral angles of amino acids in specific regions of th

202 rapharmacophore point distances, angles, and dihedral angles of different analogues spread over wide

203 and trans,trans-ONOONO, based on the O-N-O-O dihedral angles of either approximately 0 degrees or app

204 peptide mimetics to enumerate the side-chain dihedral angles of leucine (Leu) and isoleucine (Ile), a

205 For triaspartate and triglutamate the dihedral angles of phi = -70 degrees, psi = 165 degrees

206 llowing three issues concerning the backbone dihedral angles of protein structures are presented.

207 The dihedral angles of residues 36 and 37 in an Ile31-Ala42

208 lly do not coincide with canonical values of dihedral angles of residues in parallel or antiparallel

209 (1) How do the dihedral angles of the 20 amino acids depend on the iden

210 edented structural variation of the phi, psi dihedral angles of the alpha-helix is suggested as a pos

211 The determination of the dihedral angles of the central amino acid residue was ac

212 core was shown to be highly planar where the dihedral angles of the component pyrrole, furan and inde

213 erms of: 1), a local correlation between the dihedral angles of the guest amino acid and the proline

214 An adjustment of the phi, psi backbone dihedral angles of the Ile residue in the eighth positio

215 ular complexes from the distributions of the dihedral angles of the macromolecules.

216 p between Raman frequencies and Ramachandran dihedral angles of the polypeptide backbone indicates th

217 for at least 20 residues) among the backbone dihedral angles of the Q residues.

218 ound between the motions of the two backbone dihedral angles of the same residue.

219 used a basis set that includes all internal dihedral angles of the system with the exception of the

220 The dihedral angles of the trisialic acid unit directly inte

221 The determination of the dihedral angles of the two central amino acid residues w

222 e all down (Cgamma-endo), and the varphi/psi dihedral angles of the Xaa 3(S)Hyp residues are also sim

223 The backbone dihedral angles of this pentamer are similar to those of

224 ethods to improve the prediction of torsion (dihedral) angles of proteins.

225 angle theta (Y = O, N, C) and lone pair-PYC dihedral angle omega shows similar theta,omega surfaces

226 did not greatly restrict the distribution of dihedral angles or favor native-like topologies.

227 l as the rotation of one or a few side-chain dihedral angles or involve concerted motions in larger p

228 alysis yields structural improvements at two dihedral angles over prior NMR predictions with differen

229 Without exception, all of the mobile dihedral angle pairs in ubiquitin with sizable dynamics

230 This conclusion arises from considering the dihedral angle patterns within hexamers belonging to nat

231 ic parameters were utilized to determine the dihedral angles phi and psi between the interacting pept

232 In both studies, the dihedral angles phi and psi were then obtained by utiliz

233 al energy surface corresponding to different dihedral angles phi; three yielded energy minima, and tw

234 The analyses yielded the dihedral angles (phi(12), psi(12)) = (-70 degrees, 155 d

235 Further analysis of the Ramachandran dihedral angles (phi, psi) reveals that the residues ado

236 o C=C torsion for styrenes with phenyl-vinyl dihedral angles, phi, < 60 degrees.

237 articles interact via harmonic potential and dihedral angle potential and are subject to a constant a

238 used to translate the H[bond]C[bond]C[bond]H dihedral angle predicted from the (3)J(HH) into an endoc

239 Two-dimensional distance-dihedral angle probability distributions in a third phar

240 whose value signals the extent to which the dihedral angle propensities differ from typical structur

241 of predicted and observed [/psi] main chain dihedral angle propensities.

242 of predicted and observed phi/psi main chain dihedral angle propensities.

243 ve amino acids with more than two side-chain dihedral angles (R, K, E, Q, and M).

244 occurs mainly through tilting of the Si-O-Si dihedral angle rather than shortening of the Si-O bond,

245 ank shows that sterically hindered ranges of dihedral angle reduce the possible chi(2,1) to one or tw

246 ared to the rapid fluctuations of individual dihedral angles, reflecting the collective nature and la

247 related to how specific classes of backbone dihedral angles respond to applied force.

248 r modeling based on NMR-derived distance and dihedral angle restraints and molecular dynamics calcula

249 lear distance and 476 (238 per VEGF monomer) dihedral angle restraints derived from NMR data obtained

250 mics calculations restrained by distance and dihedral angle restraints obtained from NMR spectroscopy

251 collagen model peptides provide distance and dihedral angle restraints that allow determination of mo

252 d in combination with (1)H-(1)H distance and dihedral angle restraints to determine the protein backb

253 tions restrained by NMR-derived distance and dihedral angle restraints.

254 for the extraction of a set of distance and dihedral angle restraints.

255 y minimization with NMR-derived distance and dihedral angle restraints.

256 particular, a more acute O(oxo)-Mo-S(Cys)-C dihedral angle results in increased cysteine thiolate S

257 ecture combined with thermal fluctuations of dihedral angles results in large variations of local ele

258 uld lead to a dependence on the H...O'=C'-N' dihedral angle rho.

259 removed by introducing the dependence on the dihedral angle rho.

260 er improved by including a dependence on the dihedral angle rho.

261 ns indicate that intrachain interactions and dihedral angle rotation correlate with the presence of i

262 recaptured to a large measure using backbone dihedral angle sampling that includes nearest neighbor e

263 ses as a function of the varphi,psi-backbone dihedral angles show that the expected value deviates by

264 e most populated conformers exhibit backbone dihedral angles similar to those of a PPII geometry.

265 that accounts for (i) pseudo-dihedral and/or dihedral angle similarity, (ii) nucleotide sequence simi

266 (3)J(CC) and (3)J(CN) couplings to occur for dihedral angles slightly smaller than 180 degrees, parti

267 ation enhancement (PRE) distance restraints, dihedral angle, small-angle X-ray scattering, residual d

268 Configurational entropies determined in dihedral angle space for each amino acid type are accura

269 ackbone torsional mobility in the varphi-psi dihedral angle space, we used a model intrinsically diso

270 an account of conformational changes in the dihedral angles space.

271 , no correlations are found between backbone dihedral angles that are separated by more than one tors

272 rare cases, they involve sequentially remote dihedral angles that form sparse clusters, suggesting a

273 eries of biaryl cation radicals with varying dihedral angles that the hole stabilization shows two di

274 oupling constants both as a function of PYCH dihedral angle theta (Y = O, N, C) and lone pair-PYC dih

275 is sequentially added to tune the inter-ring dihedral angle theta between the bipyridine and the aryl

276 bulk significantly increases the inter-ring dihedral angle theta, is attributed to the effects of li

277 along the coordinate of the central ethylene dihedral angle (theta) from the cis Franck-Condon region

278 en and the unpaired electron at C2 shows the dihedral angle to be 6 degrees, unlike the value of 77 d

279 ng the U-O(peroxo) bonds causes the U-O(2)-U dihedral angle to be bent, and it is this inherent bendi

280 aussian bias is applied with driver bond and dihedral angles to optimize the sampling efficiency.

281 Shorter residues with one or two dihedral angles typically undergo local conformational c

282 d DFT calculations of biaryls with different dihedral angles unequivocally support that a crossover f

283 interactions with the host hardly affect the dihedral angles, validating that the host is an ideal me

284 f XAO, where, for each residue, the backbone dihedral angle varphi was constrained by using the repor

285 e that are not as a function of the backbone dihedral angles varphi and psi.

286 he Haasnoot-Altona equation to calculate the dihedral angle (varphi) between the respective vicinal p

287 n folding using the distribution of backbone dihedral angles (varphi,psi) obtained from an experiment

288 orrelated with the ground-state phenyl-vinyl dihedral angle, varphi, planar styrenes having barriers

289 The dihedral angles varthetaa,a (X-C(1)-C(2)-X/H) of the axi

290 cis-chelating phosphine ligands (41 degrees dihedral angle) via a restricted alkyne-terminal startin

291 ino acid solvent-accessible surface area and dihedral angles were combined with the RA and PLB to obt

292 he conditional activities between side-chain dihedral angles were computed using the output of micros

293 The average glycosidic dihedral angles were Phi(1A) = -22 degrees +/- 3 and Psi

294 r about the nominal C5 axis by an angle phi (dihedral angle) were performed using the B3PW91 function

295 delocalization to hopping occurs at a unique dihedral angle where the electronic coupling (Hab ) is o

296 alization in this core is inhibited by large dihedral angles, which hinders effective pi overlap.

297 iral structures with a broad distribution of dihedral angles, which may be explored as chiral ligands

298 s are consistent with a cos(2) dependence on dihedral angle, with no detectable angle-independent ind

299 ed twisting of the Cbeta-Calpha-Calpha-Cbeta dihedral angle within the morpholine moieties.

300 glycines consistently maintain positive phi dihedral angles within a classic type-I beta-turn.