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SummaryGeometryRelated PDB entries

BAO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C1C2sing1.40Å1.42ÅAromatic
C1C6doub1.39Å1.43ÅAromatic
C1C7sing1.48Å1.41Å
C2C3doub1.36Å1.41ÅAromatic
C2H2sing1.08Å1.10Å
C3C4sing1.40Å1.39ÅAromatic
C3H3sing1.08Å1.10Å
C4C5doub1.41Å1.36ÅAromatic
C4N3sing1.34Å1.34ÅAromatic
C5C6sing1.39Å1.40ÅAromatic
C5N4sing1.38Å1.34ÅAromatic
C6H6sing1.08Å1.10Å
C7N1doub1.30Å1.31Å
C7N2sing1.38Å1.34Å
N1HN1sing0.97Å1.02Å
N2HN21sing0.97Å1.02Å
N2HN22sing0.97Å1.02Å
N3C8doub1.31Å1.33ÅAromatic
N4C8sing1.37Å1.34ÅAromatic
N4HN4sing0.97Å1.02Å
C8C9sing1.48Å1.43Å
C1'C2'sing1.40Å1.42ÅAromatic
C1'C6'doub1.39Å1.43ÅAromatic
C1'C7'sing1.48Å1.42Å
C2'C3'doub1.36Å1.42ÅAromatic
C2'H2'sing1.08Å1.10Å
C3'C4'sing1.40Å1.40ÅAromatic
C3'H3'sing1.08Å1.10Å
C4'C5'doub1.41Å1.36ÅAromatic
C4'N3'sing1.34Å1.34ÅAromatic
C5'C6'sing1.39Å1.40ÅAromatic
C5'N4'sing1.38Å1.34ÅAromatic
C6'H6'sing1.08Å1.10Å
C7'N1'doub1.30Å1.34Å
C7'N2'sing1.38Å1.35Å
N1'H1'sing0.97Å1.02Å
N2'H2'1sing0.97Å1.02Å
N2'H2'2sing0.97Å1.02Å
N3'C8'doub1.31Å1.33ÅAromatic
N4'C8'sing1.37Å1.33ÅAromatic
N4'HN4'sing0.97Å1.02Å
C8'C9sing1.48Å1.43Å
C9O9doub1.22Å1.24Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C2C1C6116.0°120.3°
C2C1C7121.6°119.9°
C1C2C3122.7°120.6°
C1C2H2118.9°119.7°
C6C1C7121.9°119.8°
C1C6C5121.2°119.6°
C1C6H6120.4°120.2°
C1C7N1119.7°120.0°
C1C7N2124.1°120.0°
C3C2H2118.4°119.7°
C2C3C4117.1°120.1°
C2C3H3122.2°119.9°
C4C3H3120.7°120.0°
C3C4C5122.9°119.5°
C3C4N3126.8°133.2°
C5C4N3110.3°107.2°
C4C5C6120.1°120.0°
C4C5N4109.2°106.2°
C4N3C8102.1°109.8°
C6C5N4130.7°133.9°
C5C6H6118.4°120.2°
C5N4C8102.2°107.0°
C5N4HN4128.8°126.5°
N1C7N2116.1°120.0°
C7N1HN172.7°120.0°
C7N2HN21124.2°120.0°
C7N2HN22107.1°120.0°
HN21N2HN22107.0°120.0°
N3C8N4116.1°109.7°
N3C8C9121.9°125.1°
C8N4HN4129.0°126.5°
N4C8C9121.9°125.2°
C8C9C8'126.0°120.0°
C8C9O9116.8°120.0°
C2'C1'C6'116.8°120.2°
C2'C1'C7'121.2°119.9°
C1'C2'C3'121.5°120.6°
C1'C2'H2'119.4°119.7°
C6'C1'C7'121.7°119.9°
C1'C6'C5'121.0°119.6°
C1'C6'H6'120.5°120.2°
C1'C7'N1'118.7°120.0°
C1'C7'N2'123.8°120.0°
C3'C2'H2'119.1°119.7°
C2'C3'C4'118.4°120.0°
C2'C3'H3'121.3°120.0°
C4'C3'H3'120.3°120.0°
C3'C4'C5'122.0°119.5°
C3'C4'N3'127.8°133.2°
C5'C4'N3'110.2°107.3°
C4'C5'C6'120.2°120.0°
C4'C5'N4'108.7°106.1°
C4'N3'C8'102.2°109.8°
C6'C5'N4'131.1°133.9°
C5'C6'H6'118.5°120.2°
C5'N4'C8'103.2°107.1°
C5'N4'HN4'128.6°126.5°
N1'C7'N2'117.5°120.0°
C7'N1'H1'119.0°120.0°
C7'N2'H2'1123.9°120.0°
C7'N2'H2'2107.2°120.0°
H2'1N2'H2'2107.1°120.0°
N3'C8'N4'115.7°109.8°
N3'C8'C9123.4°125.1°
C8'N4'HN4'128.2°126.5°
N4'C8'C9120.8°125.1°
C8'C9O9116.6°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C2C1C6C7171.9°179.8°
C1C2C3H2180.0°180.0°
C1C2C3C40.2°0.0°
C1C2C3H3179.9°180.0°
C2C1C6C50.1°0.5°
C2C1C6H6180.0°179.6°
C2C1C7N1163.1°180.0°
C2C1C7N217.7°0.0°
C6C1C2C30.1°0.2°
C6C1C2H2179.9°179.8°
C1C6C5C40.2°0.5°
C1C6C5H6180.0°179.9°
C1C6C5N4179.7°179.8°
C6C1C7N125.4°0.2°
C6C1C7N2153.8°179.8°
C7C1C2C3172.1°180.0°
C7C1C2H27.9°0.0°
C7C1C6C5171.9°179.8°
C7C1C6H68.1°0.1°
C1C7N1N2179.3°180.0°
C1C7N1HN188.5°0.0°
C1C7N2HN21180.0°179.9°
C1C7N2HN2254.7°0.2°
C2C3C4H3180.0°180.0°
C2C3C4C50.0°0.0°
C2C3C4N3180.0°180.0°
H2C2C3C4179.8°180.0°
H2C2C3H30.2°0.0°
C3C4C5N3180.0°180.0°
C3C4C5C60.1°0.2°
C3C4C5N4179.8°180.0°
C3C4N3C8180.0°180.0°
H3C3C4C5180.0°180.0°
H3C3C4N30.0°0.0°
C4C5C6N4179.5°179.7°
C4C5C6H6179.8°179.6°
C5C4N3C80.0°0.0°
C4C5N4C80.3°0.0°
C4C5N4HN4179.6°180.0°
N3C4C5C6179.8°179.8°
N3C4C5N40.2°0.0°
C4N3C8N40.3°0.0°
C4N3C8C9178.4°180.0°
C6C5N4C8179.9°179.7°
C6C5N4HN40.1°0.3°
N4C5C6H60.3°0.0°
C5N4C8N30.4°0.0°
C5N4C8HN4180.0°180.0°
C5N4C8C9178.2°180.0°
N1C7N2HN210.7°0.1°
N1C7N2HN22126.0°179.8°
N2C7N1HN192.2°180.0°
C7N2HN21HN22125.3°179.9°
N3C8N4C9178.7°180.0°
N3C8N4HN4179.6°180.0°
N3C8C9C8'17.8°0.0°
N3C8C9O9152.8°180.0°
N4C8C9C8'163.6°180.0°
N4C8C9O925.8°0.0°
HN4N4C8C91.8°0.0°
C8C9C8'N3'23.4°0.3°
C8C9C8'N4'158.8°180.0°
C8C9C8'O9170.6°180.0°
C2'C1'C6'C7'174.0°180.0°
C1'C2'C3'H2'180.0°180.0°
C1'C2'C3'C4'0.0°0.0°
C1'C2'C3'H3'180.0°180.0°
C2'C1'C6'C5'0.1°0.0°
C2'C1'C6'H6'179.9°180.0°
C2'C1'C7'N1'162.9°180.0°
C2'C1'C7'N2'17.8°0.0°
C6'C1'C2'C3'0.1°0.0°
C6'C1'C2'H2'180.0°180.0°
C1'C6'C5'C4'0.0°0.0°
C1'C6'C5'H6'180.0°180.0°
C1'C6'C5'N4'179.9°180.0°
C6'C1'C7'N1'23.3°0.0°
C6'C1'C7'N2'156.0°180.0°
C7'C1'C2'C3'174.0°180.0°
C7'C1'C2'H2'6.0°0.0°
C7'C1'C6'C5'174.0°180.0°
C7'C1'C6'H6'6.0°0.0°
C1'C7'N1'N2'179.3°180.0°
C1'C7'N1'H1'65.2°179.9°
C1'C7'N2'H2'1180.0°179.9°
C1'C7'N2'H2'254.7°0.0°
C2'C3'C4'H3'180.0°180.0°
C2'C3'C4'C5'0.1°0.0°
C2'C3'C4'N3'179.8°179.7°
H2'C2'C3'C4'180.0°180.0°
H2'C2'C3'H3'0.0°0.0°
C3'C4'C5'N3'179.9°179.8°
C3'C4'C5'C6'0.1°0.0°
C3'C4'C5'N4'179.9°180.0°
C3'C4'N3'C8'179.7°179.9°
H3'C3'C4'C5'179.9°180.0°
H3'C3'C4'N3'0.2°0.3°
C4'C5'C6'N4'179.9°180.0°
C4'C5'C6'H6'180.0°180.0°
C5'C4'N3'C8'0.2°0.4°
C4'C5'N4'C8'0.5°0.0°
C4'C5'N4'HN4'179.5°180.0°
N3'C4'C5'C6'179.8°179.8°
N3'C4'C5'N4'0.2°0.2°
C4'N3'C8'N4'0.5°0.4°
C4'N3'C8'C9177.3°179.8°
C6'C5'N4'C8'179.5°180.0°
C6'C5'N4'HN4'0.5°0.0°
N4'C5'C6'H6'0.0°0.0°
C5'N4'C8'N3'0.7°0.2°
C5'N4'C8'HN4'180.0°180.0°
C5'N4'C8'C9177.2°180.0°
N1'C7'N2'H2'10.7°0.1°
N1'C7'N2'H2'2124.6°180.0°
N2'C7'N1'H1'115.5°0.1°
C7'N2'H2'1H2'2125.3°179.9°
N3'C8'N4'C9177.9°179.8°
N3'C8'N4'HN4'179.3°179.8°
N3'C8'C9O9147.2°179.7°
N4'C8'C9O930.6°0.0°
HN4'N4'C8'C92.8°0.0°

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