ライフサイエンスコーパス: dihedral angle

1 stereochemistry, and flexibility in the psi dihedral angle.

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

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

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

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

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

7 two scores of correlation between sidechain dihedral angles.

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

9 with Pro329 assuming canonically restricted dihedral angles.

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

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

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

13 selectivity than related ligands with larger dihedral angles.

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

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

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

17 conformation, in agreement with the obtained dihedral angles.

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

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

20 accompanied by strong flattening of the ring dihedral angles.

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

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

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

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

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

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

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

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

29 2]paracyclophane resulting from larger amide dihedral angles accompanying transannular hydrogen bondi

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 zation regimes as a function of the backbone dihedral angle and analogy is drawn to polycyclic pai-el

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

41 units, which is modulated by their relative dihedral angle and related to the type of chirality.

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

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

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

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

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

47 multidimensional picture involving backbone dihedral angles and distance between hydrogen bond donor

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

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

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

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

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

53 Backbone dihedral angles and secondary structure predicted from t

54 bosomal interfaces with analysis of arginine dihedral angles and structural (suite) classification of

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

56 22 A based on 51 NOE, 6 hydrogen bond, 6 phi dihedral angle, and 3 disulfide bond constraints.

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

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

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

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

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

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

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

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

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

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

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

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 generates statistical distributions of -psi dihedral angles based on CS or vice versa.

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

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

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

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

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

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

80 nconventional approach, a fine-tuning of the dihedral angle between the C4 phenyl and the dihydropyri

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

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 has been placed on either dimers with large dihedral angles between the constituent planar monomeric

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

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 ys along pai-conjugated planes when at a low dihedral angle by shortening the end-to-end distance of

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

98 crocycles are coupled such that changing one dihedral angle can significantly affect other dihedral a

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

100 Dihedral angle changes suggested by molecular dynamics s

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

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

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

104 The rotameric jumps involving dihedral angles chi(1) and chi(2) are sufficiently fast

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

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

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

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

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

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

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

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

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

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

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

116 eine disulfides has significant distance and dihedral angle constraints.

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

118 5, in addition to changes of the C4-C5-C6-N2 dihedral angle could be consistent with visible absorpti

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

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

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

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

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

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

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

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

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

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

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

130 To calculate the dihedral angle distribution functions, the configuration

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

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

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

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

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

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

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

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

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

140 In addition, with their large dihedral angle estimated by theoretical calculations, th

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

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

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

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

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

146 (2,1)) over 360 degrees results in up to six dihedral angles for a given nuW3.

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

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

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

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

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

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

153 directional statistics applied to the set of dihedral angles from the second and third residues of ea

154 ihedral angle can significantly affect other dihedral angles, further complicating the situation.

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

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

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

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

159 tures via the representations using backbone dihedral angles has recently achieved significant progre

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

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

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

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

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

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

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

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

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

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

170 ed by an extra core twist, as the peripheral dihedral angle increases from 16.5 degrees in 1 to 20.7

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

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

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

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

175 is 4.164 angstrom and the resulting U-C(2)-U dihedral angle is increased to 149.1 degrees .

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

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

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

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

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

181 ctin dimers revealed that changes in subunit dihedral angle lead to intersubunit bending or twist, su

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

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

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

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

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

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

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

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

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

191 a butterfly-shaped geometry with a U-C(2)-U dihedral angle of 112.7 degrees and a U-U distance of 3.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

212 The dihedral angles of the glycine at the end of the second

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 d DFGinter or intermediate) and the backbone dihedral angles of the sequence X-D-F, where X is the re

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

221 The dihedral angles of the trisialic acid unit directly inte

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

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

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

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

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

227 ion of the effects of conformation (backbone dihedral angle) on electron delocalization in infinite s

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

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

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

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

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

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 The backbone dihedral angles predicted based on secondary chemical sh

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

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

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

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

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

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

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

256 the fluorine to the diamine ring hinders the dihedral angle rotation between the benzene and the diam

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

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

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

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

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

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

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

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

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

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

267 However, the jumps involving multiple dihedral angles tend to occur in (anti)correlated manner

268 The new BINOLs exhibit smaller dihedral angle than BINOL on the diol part; this structu

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

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

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

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

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

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

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

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

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

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

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

280 The unique feature of NUPP is the bent dihedral angle U-(mu-O(2) )-U (123.9 degrees +/-0.4 degr

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

282 ectly predicting 69.1% of all the side-chain dihedral angles using a stringent tolerance criterion of

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

284 OMES scores are computed from, respectively, dihedral angle values and rotamer distributions.

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

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

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

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

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

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

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

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

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

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.