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03Y

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBHB2sing1.09Å1.10Å
CBHB3sing1.09Å1.10Å
COdoub1.21Å1.21Å
CACBsing1.53Å1.54Å
CACsing1.51Å1.54Å
CACMsing1.53Å1.54Å
CMH21sing1.09Å1.10Å
CMH21Asing1.09Å1.10Å
CMH21Bsing1.09Å1.10Å
NCAsing1.47Å1.50Å
NHsing1.01Å1.00Å
NH2sing1.01Å1.00Å
SGCBsing1.81Å1.80Å
SGHGsing1.34Å1.30Å
COXTsing1.34Å1.43Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
HB2CBHB3106.8°109.5°
HB2CBCA112.0°109.5°
HB2CBSG112.0°109.5°
HB3CBCA112.0°109.4°
HB3CBSG112.0°109.5°
OCCA123.1°120.0°
OCOXT106.1°120.0°
CBCAC108.3°109.5°
CBCACM110.5°109.5°
CBCAN111.1°109.4°
CACBSG102.2°109.5°
CCACM111.0°109.5°
CCAN104.0°109.4°
CACOXT130.8°120.0°
CACMH21109.5°109.5°
CACMH21A109.5°109.5°
CACMH21B109.5°109.5°
CMCAN111.6°109.5°
H21CMH21A109.4°109.5°
H21CMH21B109.5°109.5°
H21ACMH21B109.5°109.5°
CANH109.5°111.0°
CANH2109.4°111.0°
HNH2109.5°111.0°
CBSGHG102.0°103.0°
COXTHXT109.5°117.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
HB2CBHB3CA122.9°120.0°
HB2CBHB3SG122.9°120.0°
HB2CBCASG120.0°120.0°
HB2CBCAC28.4°59.9°
HB2CBCACM93.5°180.0°
HB2CBCAN142.0°60.0°
HB2CBSGHG60.0°60.0°
HB3CBCASG120.0°120.0°
HB3CBCAC148.3°60.0°
HB3CBCACM26.5°60.0°
HB3CBCAN98.0°180.0°
HB3CBSGHG60.0°60.0°
OCCACB51.3°25.0°
OCCAOXT180.0°180.0°
OCCACM70.3°95.0°
OCCAN169.5°145.0°
OCOXTHXT0.0°0.0°
CBCACCM121.5°120.1°
CBCACN118.2°119.9°
CBCACMN124.2°119.9°
CBCACMH21180.0°60.1°
CBCACMH21A60.0°180.0°
CBCACMH21B60.0°60.0°
CBCANH180.0°176.0°
CBCANH260.0°60.1°
CACBSGHG180.0°180.0°
CBCACOXT128.7°155.0°
CCACMN115.6°120.0°
CCACMH2159.8°60.0°
CCACMH21A179.8°60.0°
CCACMH21B60.2°180.0°
CCANH63.7°64.0°
CCANH256.3°59.9°
CCACBSG91.7°180.0°
CACOXTHXT180.0°180.0°
CACMH21H21A120.0°120.0°
CACMH21H21B120.0°120.0°
CACMH21AH21B120.0°120.0°
CMCANH56.1°56.1°
CMCANH2176.1°180.0°
CMCACBSG146.5°60.0°
CMCACOXT109.7°84.9°
H21CMH21AH21B120.0°120.0°
H21CMCAN55.8°180.0°
H21ACMCAN64.2°60.0°
H21BCMCAN175.8°60.0°
CANHH2120.0°123.9°
NCACBSG22.0°60.0°
NCACOXT10.5°35.1°

222415

PDB entries from 2024-07-10

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