ライフサイエンスコーパス: dihedral

1 e original bond lengths and angles and omega dihedrals).

2 transannular C-C bond and an increased flap dihedral.

3 ilament long axis, giving the whole filament dihedral 32-point group symmetry.

4 (PTP) moieties to twist (anthracene subunit dihedral, 69 degrees); the interlocked, helical, homochi

5 on similar to that of B-form DNA, with small dihedral adjustments due to the larger circumference of

6 DIAL (dihedral alignment) is a web server that provides public

7 er adopt an unusual structure in which their dihedrals alternate between left- and right-handed Ramac

8 FtsA monomers exhibited nucleotide-dependent dihedral and opening angles, while crenactin monomer dyn

9 ng an alignment that accounts for (i) pseudo-dihedral and/or dihedral angle similarity, (ii) nucleoti

10 Instead, at low forces, dihedrals and angles, as the softer degrees of freedom a

11 eometry by determining bond lengths, angles, dihedrals and rotamers.

12 transition rates by changing the entropy of dihedrals and/or the enthalpy of contacts.

13 of tilt, increased rotation about the O2-C2 dihedral, and a greater sampling of non-TG exocyclic con

14 ibutions of rigid-body (Cartesian), backbone dihedral, and contact motions to transition-state (TS) p

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

36 Dihedral angle changes suggested by molecular dynamics s

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

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

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

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

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

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

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

44 eine disulfides has significant distance and dihedral angle constraints.

45 5, in addition to changes of the C4-C5-C6-N2 dihedral angle could be consistent with visible absorpti

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

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

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

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

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

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

52 To calculate the dihedral angle distribution functions, the configuration

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

126 stereochemistry, and flexibility in the psi dihedral angle.

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

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

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

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

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

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

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

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

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

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

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

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

139 2]paracyclophane resulting from larger amide dihedral angles accompanying transannular hydrogen bondi

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

172 (2,1)) over 360 degrees results in up to six dihedral angles for a given nuW3.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

206 The dihedral angles of the trisialic acid unit directly inte

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

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

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

210 The backbone dihedral angles predicted based on secondary chemical sh

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

237 two scores of correlation between sidechain dihedral angles.

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

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

240 with Pro329 assuming canonically restricted dihedral angles.

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

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

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

244 selectivity than related ligands with larger dihedral angles.

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

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

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

248 accompanied by strong flattening of the ring dihedral angles.

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

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

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

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

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

254 wing to have at least 20 degrees of negative dihedral (anhedral), all configurations were quite stabl

255 sed tempering method with a high-temperature dihedral bias, we repeatedly folded four helical protein

256 he carbonyl oxygen (N-C horizontal lineO...X dihedrals ca. 90 degrees ).

257 s the tendency for metabolic enzymes to form dihedral complexes, which we suggest is closely related

258 explanation for why allostery is related to dihedral complexes: it allows for efficient propagation

259 ions support the existence of three distinct dihedral conformations that differ drastically in their

260 ser effect-derived distance constraints, 240 dihedral constraints, 160 hydrogen bond constraints, and

261 With respect to the local dihedral correlations, we find that these are well descr

262 under physiological temperatures, the C6-C7 dihedral defining the relative orientation of the beta-i

263 Using mode-following and dihedral-driving techniques, several potential pathways

264 the first normal mode calculation with full dihedral flexibility of several virus capsids, including

265 The dihedral fluctuation of the FP was shown to be repressed

266 s the collagen peptide main-chain (phi, psi) dihedrals for triple helical assembly.

267 ment of the ring structures around the dione dihedral indicated that the ability of the compounds to

268 endent, and helices are composed of inactive dihedral LPL dimers.

269 ransitions that are gated by the microsecond dihedral motions of the side chain of R476 and the therm

270 rthermore, the increased number of concerted dihedral moves at physiological conditions suggest that,

271 that 6a assumes an anti conformation with a dihedral O horizontal lineFe-Fe horizontal lineO angle o

272 magnetic hyperfine tensors suggests that the dihedral O horizontal lineFe-Fe horizontal lineO angle o

273 hich considers the joint distribution of the dihedral/planar angles over different lags using a nonpa

274 ods using bivariate lag-distributions of the dihedral/planar angles.

275 We discuss refinement of headgroup dihedral potential parameters to reproduce ab initio con

276 ction arises from concerted, crankshaft-like dihedral rearrangements.

277 The (1)H-(15)N RDCs and supplemental dihedral restraints enable the determination of the stru

278 Structures calculated with only NOE and dihedral restraints exhibit a backbone root-mean-square

279 s utilized in the generation of supplemental dihedral restraints for the helical segments.

280 ation, reproduced the 180 degrees varphi-psi dihedral rotation back to the open loop state.

281 and is seen to occur in two steps, namely a dihedral rotation step followed by a side-group packing

282 ly proportional to the timescale of hindered dihedral rotations within the polypeptide chain, with a

283 hibitors and how computational tools such as dihedral scans and docking were used to support this pro

284 pendence of folding propensities on backbone dihedrals, secondary structure is expected to influence

285 lded chain further revealed that hops in the dihedral space provide the dominant mechanism of interna

286 In backbone dihedral space, we find that, as expected, backbone fluc

287 ge conformational exchange in the varphi-psi dihedral space.

288 le intermonomer hydrogen bonding and proline dihedral strain energy than the BPT.

289 Even an antigen with dihedral symmetry could be displayed.

290 force field parameters corresponding to the dihedral terms in the potential energy function were obt

291 Because of the large dihedral, the reversed amidines should have reduced bind

292 ch model continuous flexibility in sidechain dihedrals, to model continuous, appropriately localized

293 e carbon to amidine carbon but a significant dihedral twist across the tricyclic and amidine-ring jun

294 f these chromophores reveals large ring-ring dihedral twist angles (80-89 degrees) and a highly charg

295 ounds with relatively linear shape and large dihedral twist, however, have been found recently to bin

296 uss how the effects of cross-conjugation and dihedral twists affect the electronic gaps.

297 to adopt low symmetry conformations, due to dihedral twists between neighboring porphyrin units, but

298 iately localized flexibility in the backbone dihedrals varphi and psi as well.

299 Four backbone dihedrals were identified as important during the openin

300 and G10 at the P-loop and the N-C(alpha)-C-O dihedral (xi) of G60, we further show that three water m