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544

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.44Å1.52Å
NC1Asing1.37Å1.44Å
NHNsing0.99Å1.02Å
CACBsing1.53Å1.57Å
CACsing1.52Å1.52Å
CAHA1sing1.10Å1.12Å
CBCGsing1.51Å1.54Å
CBHB1sing1.10Å1.12Å
CBHB2sing1.10Å1.11Å
CGCD1doub1.39Å1.44ÅAromatic
CGCD2sing1.39Å1.43ÅAromatic
CD1CE1sing1.39Å1.42ÅAromatic
CD1HD11sing1.09Å1.10Å
CD2CE2doub1.39Å1.40ÅAromatic
CD2HD21sing1.09Å1.10Å
CE1CZdoub1.40Å1.42ÅAromatic
CE1HE11sing1.09Å1.10Å
CE2CZsing1.39Å1.46ÅAromatic
CE2HE21sing1.09Å1.10Å
CZOHsing1.36Å1.42Å
OHC3Asing1.43Å1.46Å
C1AC1Fdoub1.35Å1.39Å
C1AC1Bsing1.51Å1.52Å
C1FC1Gsing1.49Å1.58Å
C1FH1F1sing1.09Å1.08Å
C1BH1B1sing1.10Å1.12Å
C1BH1B2sing1.10Å1.12Å
C1BH1B3sing1.10Å1.11Å
C1HC1Idoub1.38Å1.45ÅAromatic
C1HC1Msing1.38Å1.43ÅAromatic
C1HC1Gsing1.48Å1.44Å
C1IC1Jsing1.39Å1.42ÅAromatic
C1IH1I1sing1.09Å1.10Å
C1JC1Kdoub1.39Å1.42ÅAromatic
C1JH1J1sing1.09Å1.10Å
C1KC1Lsing1.40Å1.43ÅAromatic
C1KH1K1sing1.09Å1.10Å
C1LC1Mdoub1.39Å1.42ÅAromatic
C1LH1L1sing1.09Å1.10Å
C1MH1M1sing1.09Å1.10Å
C1GO1Gdoub1.22Å1.25Å
O3FC3Gsing1.36Å1.39ÅAromatic
O3FC3Dsing1.36Å1.37ÅAromatic
C3GN3Hdoub1.31Å1.42ÅAromatic
C3GC3Ising1.44Å1.40ÅAromatic
N3HC3Csing1.36Å1.39ÅAromatic
C3CC3Ddoub1.35Å1.43ÅAromatic
C3CC3Bsing1.50Å1.56Å
C3DC3Esing1.47Å1.54Å
C3EH3E1sing1.11Å1.12Å
C3EH3E2sing1.11Å1.11Å
C3EH3E3sing1.11Å1.11Å
C3IC3Ndoub1.40Å1.44ÅAromatic
C3IC3Jsing1.40Å1.43ÅAromatic
C3NC3Msing1.39Å1.42ÅAromatic
C3NH3N1sing1.09Å1.10Å
C3MC3Ldoub1.39Å1.41ÅAromatic
C3MH3M1sing1.09Å1.10Å
C3LC3Ksing1.40Å1.42ÅAromatic
C3LH3L1sing1.09Å1.10Å
C3KC3Jdoub1.39Å1.42ÅAromatic
C3KH3K1sing1.09Å1.10Å
C3JH3J1sing1.09Å1.10Å
C3AC3Bsing1.53Å1.53Å
C3AH3A1sing1.09Å1.11Å
C3AH3A2sing1.09Å1.11Å
C3BH3B1sing1.10Å1.11Å
C3BH3B2sing1.10Å1.12Å
O2Cdoub1.23Å1.25Å
O1Csing1.35Å1.26Å
O1HO11sing0.98Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANC1A131.8°120.5°
CANHN104.5°122.8°
NCACB110.8°111.1°
NCAC117.1°111.1°
NCAHA1104.2°106.2°
C1ANHN104.5°116.7°
NC1AC1F117.2°126.3°
NC1AC1B124.5°114.6°
CBCAC113.0°110.0°
CBCAHA1109.2°111.4°
CACBCG112.8°113.0°
CACBHB1111.0°110.4°
CACBHB2111.0°110.1°
CCAHA1101.5°106.9°
CACO2117.4°123.0°
CACO1120.1°114.8°
CGCBHB1111.0°108.1°
CGCBHB2111.0°109.7°
CBCGCD1119.6°119.3°
CBCGCD2120.6°119.4°
HB1CBHB299.3°105.2°
CD1CGCD2119.8°121.3°
CGCD1CE1119.9°119.3°
CGCD1HD11120.8°121.2°
CGCD2CE2119.9°119.3°
CGCD2HD21121.3°121.2°
CE1CD1HD11119.4°119.5°
CD1CE1CZ120.7°120.0°
CD1CE1HE11119.7°119.6°
CE2CD2HD21118.8°119.5°
CD2CE2CZ121.1°120.1°
CD2CE2HE21117.2°119.6°
CZCE1HE11119.6°120.3°
CE1CZCE2118.7°120.0°
CE1CZOH115.8°120.0°
CZCE2HE21121.7°120.3°
CE2CZOH125.5°120.0°
CZOHC3A119.4°117.0°
OHC3AC3B107.8°109.7°
OHC3AH3A1112.8°107.8°
OHC3AH3A2112.9°108.9°
C1FC1AC1B118.3°119.1°
C1AC1FC1G128.5°123.5°
C1AC1FH1F1115.7°119.5°
C1AC1BH1B1106.9°112.6°
C1AC1BH1B2124.5°110.3°
C1AC1BH1B3106.9°110.2°
C1GC1FH1F1115.7°117.0°
C1FC1GC1H122.8°117.5°
C1FC1GO1G118.6°122.9°
H1B1C1BH1B2106.9°107.6°
H1B1C1BH1B3102.7°107.6°
H1B2C1BH1B3106.9°108.4°
C1IC1HC1M118.6°122.1°
C1IC1HC1G118.9°119.0°
C1HC1IC1J120.9°119.0°
C1HC1IH1I1120.8°121.6°
C1MC1HC1G122.5°119.0°
C1HC1MC1L120.3°119.0°
C1HC1MH1M1120.4°121.6°
C1HC1GO1G118.6°119.5°
C1JC1IH1I1118.3°119.4°
C1IC1JC1K119.6°120.0°
C1IC1JH1J1119.9°120.0°
C1KC1JH1J1120.4°120.0°
C1JC1KC1L120.3°120.0°
C1JC1KH1K1119.5°120.0°
C1LC1KH1K1120.2°120.0°
C1KC1LC1M120.2°120.0°
C1KC1LH1L1120.3°120.0°
C1MC1LH1L1119.5°120.0°
C1LC1MH1M1119.3°119.4°
C3GO3FC3D107.7°103.6°
O3FC3GN3H110.4°115.4°
O3FC3GC3I123.6°115.2°
O3FC3DC3C108.0°106.8°
O3FC3DC3E122.8°117.1°
N3HC3GC3I126.0°129.4°
C3GN3HC3C105.0°101.9°
C3GC3IC3N122.5°120.3°
C3GC3IC3J119.3°120.2°
N3HC3CC3D108.9°112.3°
N3HC3CC3B122.1°119.8°
C3DC3CC3B129.0°127.9°
C3CC3DC3E129.3°136.0°
C3CC3BC3A112.7°112.9°
C3CC3BH3B1111.0°109.6°
C3CC3BH3B2111.0°109.1°
C3DC3EH3E1107.5°111.6°
C3DC3EH3E2122.8°112.4°
C3DC3EH3E3107.5°112.4°
H3E1C3EH3E2107.5°107.2°
H3E1C3EH3E3102.3°107.3°
H3E2C3EH3E3107.5°105.6°
C3NC3IC3J118.2°119.6°
C3IC3NC3M120.6°120.2°
C3IC3NH3N1120.6°120.6°
C3IC3JC3K120.7°120.2°
C3IC3JH3J1120.0°120.7°
C3MC3NH3N1118.7°119.2°
C3NC3MC3L120.1°120.0°
C3NC3MH3M1120.1°119.9°
C3LC3MH3M1119.8°120.1°
C3MC3LC3K120.1°120.0°
C3MC3LH3L1119.7°120.0°
C3KC3LH3L1120.2°119.9°
C3LC3KC3J120.2°120.0°
C3LC3KH3K1119.9°120.0°
C3JC3KH3K1119.9°120.0°
C3KC3JH3J1119.4°119.1°
C3BC3AH3A1112.9°109.8°
C3BC3AH3A2112.8°111.8°
C3AC3BH3B1111.0°109.6°
C3AC3BH3B2111.0°109.0°
H3A1C3AH3A297.6°108.8°
H3B1C3BH3B299.3°106.6°
O2CO1122.6°122.2°
CO1HO11120.1°114.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANC1AHN125.3°179.9°
NCACBC133.7°123.5°
NCACBHA1114.2°118.2°
NCACHA1112.6°115.5°
NCACBCG51.1°61.8°
NCACBHB1176.4°177.0°
NCACBHB274.1°61.3°
CANC1AC1F178.8°150.1°
CANC1AC1B0.8°29.6°
NCACO2148.2°34.5°
NCACO131.4°145.1°
C1ANCACB173.8°178.7°
C1ANCAC54.6°55.9°
C1ANCAHA156.4°60.0°
NC1AC1FC1B179.7°179.7°
NC1AC1FC1G0.7°0.9°
NC1AC1FH1F1179.3°179.9°
NC1AC1BH1B154.7°179.1°
NC1AC1BH1B2180.0°59.0°
NC1AC1BH1B354.7°60.7°
HNNCACB48.5°1.4°
HNNCAC179.9°124.2°
HNNCAHA168.8°119.9°
HNNC1AC1F53.6°30.0°
HNNC1AC1B126.1°150.3°
CBCACHA1116.8°121.1°
CACBCGHB1125.3°122.5°
CACBCGHB2125.3°123.3°
CACBHB1HB2116.9°118.8°
CACBCGCD1102.7°90.0°
CACBCGCD277.1°90.0°
CBCACO281.2°88.9°
CBCACO199.2°91.4°
CCACBCG175.2°61.6°
CCACBHB149.9°59.5°
CCACBHB259.6°175.3°
CACO2O1179.6°179.6°
CACO1HO11180.0°179.7°
HA1CACBCG63.1°180.0°
HA1CACBHB162.2°58.9°
HA1CACBHB2171.7°56.9°
HA1CACO235.6°150.0°
HA1CACO1144.0°29.6°
CGCBHB1HB2116.9°117.2°
CBCGCD1CD2179.8°180.0°
CBCGCD1CE1179.6°179.9°
CBCGCD1HD110.4°0.0°
CBCGCD2CE2179.7°180.0°
CBCGCD2HD210.4°0.0°
HB1CBCGCD1132.0°147.5°
HB1CBCGCD248.1°32.5°
HB2CBCGCD122.6°33.3°
HB2CBCGCD2157.6°146.7°
CGCD1CE1HD11180.0°179.9°
CD1CGCD2CE20.2°0.0°
CD1CGCD2HD21179.8°180.0°
CGCD1CE1CZ0.2°0.1°
CGCD1CE1HE11179.8°180.0°
CD2CGCD1CE10.2°0.0°
CD2CGCD1HD11179.8°180.0°
CGCD2CE2HD21180.0°180.0°
CGCD2CE2CZ0.1°0.0°
CGCD2CE2HE21179.9°179.9°
CD1CE1CZHE11180.0°180.0°
CD1CE1CZCE20.1°0.0°
CD1CE1CZOH179.9°179.9°
HD11CD1CE1CZ179.8°180.0°
HD11CD1CE1HE110.2°0.0°
CD2CE2CZCE10.1°0.0°
CD2CE2CZHE21180.0°179.9°
CD2CE2CZOH179.9°179.9°
HD21CD2CE2CZ179.9°180.0°
HD21CD2CE2HE210.1°0.0°
CE1CZCE2OH179.8°179.9°
CE1CZCE2HE21179.9°179.9°
CE1CZOHC3A172.4°150.0°
HE11CE1CZCE2179.9°180.0°
HE11CE1CZOH0.1°0.1°
CE2CZOHC3A7.8°30.1°
HE21CE2CZOH0.1°0.0°
CZOHC3AC3B166.0°150.4°
CZOHC3AH3A140.7°90.1°
CZOHC3AH3A268.8°27.8°
OHC3AC3BC3C70.7°61.7°
OHC3AC3BH3A1125.3°118.3°
OHC3AC3BH3A2125.3°120.9°
OHC3AH3A1H3A2118.8°117.9°
OHC3AC3BH3B154.6°60.7°
OHC3AC3BH3B2164.1°177.0°
C1AC1FC1GH1F1180.0°179.0°
C1FC1AC1BH1B1125.6°0.6°
C1FC1AC1BH1B20.4°120.7°
C1FC1AC1BH1B3124.9°119.6°
C1AC1FC1GC1H178.4°151.0°
C1AC1FC1GO1G2.0°30.8°
C1BC1AC1FC1G179.6°179.4°
C1BC1AC1FH1F10.4°0.4°
C1AC1BH1B1H1B2135.3°121.7°
C1AC1BH1B1H1B3112.4°121.6°
C1AC1BH1B2H1B3125.3°120.8°
C1FC1GC1HC1I145.7°30.0°
C1FC1GC1HC1M34.0°150.0°
C1FC1GC1HO1G179.6°178.3°
H1F1C1FC1GC1H1.6°30.0°
H1F1C1FC1GO1G178.0°148.3°
H1B1C1BH1B2H1B3109.4°116.1°
C1IC1HC1MC1G179.8°180.0°
C1HC1IC1JH1I1180.0°179.9°
C1HC1IC1JC1K0.0°0.1°
C1HC1IC1JH1J1180.0°179.9°
C1IC1HC1MC1L0.4°0.0°
C1IC1HC1MH1M1179.6°179.9°
C1IC1HC1GO1G34.7°151.7°
C1MC1HC1IC1J0.4°0.1°
C1MC1HC1IH1I1179.6°179.9°
C1HC1MC1LC1K0.0°0.1°
C1HC1MC1LH1M1180.0°179.9°
C1HC1MC1LH1L1180.0°180.0°
C1MC1HC1GO1G145.6°28.3°
C1GC1HC1IC1J179.8°179.9°
C1GC1HC1IH1I10.2°0.1°
C1GC1HC1MC1L179.8°180.0°
C1GC1HC1MH1M10.2°0.1°
C1IC1JC1KH1J1180.0°179.9°
C1IC1JC1KC1L0.4°0.0°
C1IC1JC1KH1K1179.6°179.9°
H1I1C1IC1JC1K180.0°180.0°
H1I1C1IC1JH1J10.0°0.2°
C1JC1KC1LH1K1180.0°180.0°
C1JC1KC1LC1M0.4°0.0°
C1JC1KC1LH1L1179.6°180.0°
H1J1C1JC1KC1L179.6°179.9°
H1J1C1JC1KH1K10.4°0.1°
C1KC1LC1MH1L1180.0°179.9°
C1KC1LC1MH1M1180.0°180.0°
H1K1C1KC1LC1M179.6°180.0°
H1K1C1KC1LH1L10.4°0.0°
H1L1C1LC1MH1M10.0°0.1°
O3FC3GN3HC3I178.3°180.0°
O3FC3GN3HC3C0.8°0.0°
C3GO3FC3DC3C0.7°0.1°
C3GO3FC3DC3E179.7°179.9°
O3FC3GC3IC3N179.7°160.0°
O3FC3GC3IC3J1.3°19.9°
C3DO3FC3GN3H0.9°0.1°
C3DO3FC3GC3I179.3°180.0°
O3FC3DC3CN3H0.2°0.1°
O3FC3DC3CC3E179.6°179.8°
O3FC3DC3CC3B179.6°180.0°
O3FC3DC3EH3E154.7°122.8°
O3FC3DC3EH3E2180.0°2.4°
O3FC3DC3EH3E354.7°116.6°
C3GN3HC3CC3D0.4°0.0°
C3GN3HC3CC3B179.8°180.0°
N3HC3GC3IC3N1.7°20.0°
N3HC3GC3IC3J179.3°160.0°
C3IC3GN3HC3C179.1°180.0°
C3GC3IC3NC3J179.0°180.0°
C3GC3IC3NC3M179.3°180.0°
C3GC3IC3NH3N10.7°0.0°
C3GC3IC3JC3K179.3°180.0°
C3GC3IC3JH3J10.7°0.1°
N3HC3CC3DC3B179.8°179.9°
N3HC3CC3DC3E179.8°179.9°
N3HC3CC3BC3A90.3°89.9°
N3HC3CC3BH3B1144.4°32.5°
N3HC3CC3BH3B234.9°148.8°
C3CC3DC3EH3E1125.7°56.9°
C3CC3DC3EH3E20.4°177.4°
C3CC3DC3EH3E3124.9°63.6°
C3DC3CC3BC3A89.9°90.0°
C3DC3CC3BH3B135.4°147.6°
C3DC3CC3BH3B2144.9°31.3°
C3BC3CC3DC3E0.0°0.2°
C3CC3BC3AH3B1125.2°122.4°
C3CC3BC3AH3B2125.3°121.4°
C3CC3BC3AH3A154.6°180.0°
C3CC3BC3AH3A2164.1°59.2°
C3CC3BH3B1H3B2116.9°117.9°
C3DC3EH3E1H3E2133.9°123.5°
C3DC3EH3E1H3E3113.0°123.5°
C3DC3EH3E2H3E3125.3°122.9°
H3E1C3EH3E2H3E3109.5°114.2°
C3IC3NC3MH3N1180.0°180.0°
C3IC3NC3MC3L0.0°0.0°
C3IC3NC3MH3M1180.0°179.9°
C3NC3IC3JC3K0.3°0.0°
C3NC3IC3JH3J1179.7°179.9°
C3JC3IC3NC3M0.3°0.0°
C3JC3IC3NH3N1179.7°180.0°
C3IC3JC3KC3L0.0°0.0°
C3IC3JC3KH3J1180.0°179.9°
C3IC3JC3KH3K1180.0°179.9°
C3NC3MC3LH3M1180.0°180.0°
C3NC3MC3LC3K0.3°0.1°
C3NC3MC3LH3L1179.7°180.0°
H3N1C3NC3MC3L180.0°180.0°
H3N1C3NC3MH3M10.1°0.0°
C3MC3LC3KH3L1180.0°179.9°
C3MC3LC3KC3J0.3°0.0°
C3MC3LC3KH3K1179.7°180.0°
H3M1C3MC3LC3K179.7°179.9°
H3M1C3MC3LH3L10.2°0.0°
C3LC3KC3JH3K1180.0°179.9°
C3LC3KC3JH3J1180.0°179.9°
H3L1C3LC3KC3J179.7°180.0°
H3L1C3LC3KH3K10.3°0.1°
H3K1C3KC3JH3J10.0°0.0°
C3BC3AH3A1H3A2118.7°122.6°
C3AC3BH3B1H3B2116.9°117.8°
H3A1C3AC3BH3B1179.9°57.6°
H3A1C3AC3BH3B270.7°58.6°
H3A2C3AC3BH3B170.7°178.4°
H3A2C3AC3BH3B238.8°62.1°
O2CO1HO110.4°0.0°

246905

PDB entries from 2025-12-31

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