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DBP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCBsing1.47Å1.46Å
NHN1sing1.01Å1.00Å
NHN21sing1.01Å1.00Å
CBCGsing1.51Å1.49Å
CBHB11sing1.09Å1.10Å
CBHB21sing1.09Å1.10Å
CGCD1doub1.38Å1.42ÅAromatic
CGCD2sing1.38Å1.40ÅAromatic
CD1CE1sing1.38Å1.39ÅAromatic
CD1HD11sing1.08Å1.08Å
CE1CZdoub1.38Å1.40ÅAromatic
CE1HC11sing1.08Å1.08Å
CD2CE2doub1.39Å1.39ÅAromatic
CD2HC21sing1.08Å1.08Å
CE2CZsing1.39Å1.41ÅAromatic
CE2NE2sing1.40Å1.32Å
CZHCZ1sing1.08Å1.08Å
NE2HE21sing0.97Å1.00Å
NE2HE22sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBNHN1109.5°106.7°
CBNHN21109.5°106.7°
NCBCG129.1°109.5°
NCBHB1198.8°109.4°
NCBHB21103.4°109.4°
HN1NHN21109.5°106.7°
CGCBHB1198.8°109.6°
CGCBHB21103.4°109.4°
CBCGCD1120.7°119.9°
CBCGCD2120.1°120.0°
HB11CBHB21126.6°109.4°
CD1CGCD2119.0°120.1°
CGCD1CE1121.8°120.1°
CGCD1HD11119.1°120.0°
CGCD2CE2119.2°119.9°
CGCD2HC21120.4°120.1°
CE1CD1HD11119.1°119.9°
CD1CE1CZ118.8°120.1°
CD1CE1HC11120.6°120.0°
CZCE1HC11120.6°119.9°
CE1CZCE2119.7°119.9°
CE1CZHCZ1120.2°120.1°
CE2CD2HC21120.4°120.0°
CD2CE2CZ121.5°119.8°
CD2CE2NE2116.7°120.1°
CZCE2NE2121.6°120.1°
CE2CZHCZ1120.2°120.0°
CE2NE2HE21109.5°120.0°
CE2NE2HE22109.5°120.0°
HE21NE2HE22109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBNHN1HN21120.0°113.8°
NCBCGHB11109.0°120.0°
NCBCGHB21120.0°120.0°
NCBHB11HB21114.0°119.9°
NCBCGCD132.7°90.0°
NCBCGCD2152.6°90.3°
HN1NCBCG169.3°66.2°
HN1NCBHB1181.8°53.9°
HN1NCBHB2149.3°173.8°
HN21NCBCG70.7°180.0°
HN21NCBHB1138.2°59.9°
HN21NCBHB21169.3°60.0°
CGCBHB11HB21114.0°120.0°
CBCGCD1CD2174.7°179.7°
CBCGCD1CE1173.3°180.0°
CBCGCD1HD116.7°0.0°
CBCGCD2CE2173.2°179.7°
CBCGCD2HC216.7°0.3°
HB11CBCGCD1141.7°30.0°
HB11CBCGCD243.7°149.7°
HB21CBCGCD187.3°150.0°
HB21CBCGCD287.4°29.7°
CGCD1CE1HD11180.0°180.0°
CGCD1CE1CZ1.0°0.1°
CGCD1CE1HC11179.0°180.0°
CD1CGCD2CE21.5°0.6°
CD1CGCD2HC21178.5°180.0°
CD2CGCD1CE11.4°0.3°
CD2CGCD1HD11178.6°179.7°
CGCD2CE2HC21180.0°179.5°
CGCD2CE2CZ1.2°0.5°
CGCD2CE2NE2175.3°179.7°
CD1CE1CZHC11180.0°179.9°
CD1CE1CZCE20.7°0.1°
CD1CE1CZHCZ1179.3°179.9°
HD11CD1CE1CZ179.0°180.0°
HD11CD1CE1HC111.0°0.1°
CE1CZCE2CD20.8°0.2°
CE1CZCE2HCZ1180.0°180.0°
CE1CZCE2NE2175.6°179.9°
HC11CE1CZCE2179.3°180.0°
HC11CE1CZHCZ10.7°0.0°
CD2CE2CZNE2176.4°179.7°
CD2CE2CZHCZ1179.2°179.8°
CD2CE2NE2HE2136.0°179.8°
CD2CE2NE2HE2284.0°0.3°
HC21CD2CE2CZ178.8°180.0°
HC21CD2CE2NE24.7°0.3°
CZCE2NE2HE21147.5°0.0°
CZCE2NE2HE2292.5°179.9°
NE2CE2CZHCZ14.4°0.0°
CE2NE2HE21HE22120.1°179.9°

223532

PDB entries from 2024-08-07

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