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MEF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OE2CDdoub1.21Å1.23Å
CGCDsing1.51Å1.53Å
CDOE1sing1.34Å1.33Å
OE1HOE1sing0.97Å0.95Å
CBCGsing1.53Å1.54Å
CGHGsing1.09Å1.10Å
CGHGAsing1.09Å1.10Å
CACBsing1.53Å1.55Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
CANsing1.47Å1.45Å
CACTsing1.51Å1.51Å
CAHAsing1.09Å1.10Å
O2CTdoub1.21Å1.22Å
CTO1sing1.34Å1.35Å
O1HO1sing0.97Å0.95Å
CNsing1.35Å1.33Å
NHNsing0.97Å1.00Å
OCdoub1.22Å1.22Å
CC11sing1.48Å1.50Å
CMN10sing1.49Å1.48Å
C9N10sing1.49Å1.50Å
C14N10sing1.39Å1.51Å
N5CMsing1.46Å1.50Å
CMHMsing1.09Å1.10Å
CMHMAsing1.09Å1.10Å
C4AN5sing1.40Å1.36Å
N5C6sing1.48Å1.50Å
C6C9sing1.54Å1.52Å
C9H9sing1.09Å1.10Å
C9H9Asing1.09Å1.10Å
C7C6sing1.53Å1.48Å
C6H6sing1.09Å1.10Å
N8C7sing1.47Å1.49Å
C7H7sing1.09Å1.10Å
C7H7Asing1.09Å1.10Å
C8AN8sing1.38Å1.35Å
N8HN8sing0.97Å1.00Å
N1C8Asing1.34Å1.35Å
C8AC4Adoub1.40Å1.39Å
C4C4Asing1.39Å1.41Å
C2N1doub1.32Å1.35Å
NA2C2sing1.37Å1.33Å
C2N3sing1.36Å1.35Å
NA2HNA2sing0.97Å1.00Å
NA2HNAAsing0.97Å1.00Å
N3C4sing1.35Å1.35Å
N3HN3sing0.97Å1.00Å
C4O4doub1.22Å1.25Å
C16C11doub1.40Å1.39ÅAromatic
C11C12sing1.40Å1.40ÅAromatic
C12C13doub1.38Å1.38ÅAromatic
C12H12sing1.08Å1.08Å
C14C13sing1.39Å1.39ÅAromatic
C13H13sing1.08Å1.08Å
C16C15sing1.38Å1.38ÅAromatic
C16H16sing1.08Å1.08Å
C15C14doub1.39Å1.40ÅAromatic
C15H15sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OE2CDCG123.1°120.0°
OE2CDOE1116.2°120.0°
CGCDOE1120.8°120.0°
CDCGCB113.0°109.5°
CDCGHG108.3°109.5°
CDCGHGA107.5°109.4°
CDOE1HOE1109.5°117.0°
CBCGHG108.3°109.5°
CBCGHGA107.5°109.4°
CGCBCA114.0°109.5°
CGCBHB108.0°109.5°
CGCBHBA107.0°109.4°
HGCGHGA112.3°109.5°
CACBHB108.0°109.5°
CACBHBA107.0°109.5°
CBCAN110.0°109.5°
CBCACT114.6°109.5°
CBCAHA105.6°109.5°
HBCBHBA113.0°109.5°
NCACT110.0°109.5°
NCAHA110.6°109.4°
CANC120.1°120.0°
CANHN120.0°120.0°
CTCAHA105.7°109.5°
CACTO2114.9°120.0°
CACTO1124.4°120.0°
O2CTO1120.7°120.0°
CTO1HO1109.5°117.0°
CNHN120.0°120.0°
NCO122.9°120.0°
NCC11118.0°120.0°
OCC11119.2°119.9°
CC11C16118.6°120.1°
CC11C12120.8°120.1°
CMN10C9106.4°103.4°
CMN10C14106.1°111.0°
N10CMN5100.4°106.6°
N10CMHM112.6°110.1°
N10CMHMA114.5°110.0°
C9N10C14114.6°111.0°
N10C9C6104.5°102.3°
N10C9H9111.2°110.8°
N10C9H9A112.3°110.8°
N10C14C13116.7°120.0°
N10C14C15123.3°119.9°
N5CMHM112.6°110.0°
N5CMHMA114.5°110.2°
CMN5C4A129.8°130.4°
CMN5C6103.7°107.9°
HMCMHMA102.7°110.0°
C4AN5C6126.4°121.6°
N5C4AC8A116.7°117.3°
N5C4AC4126.0°123.2°
N5C6C9105.0°104.5°
N5C6C7107.6°106.1°
N5C6H6115.4°111.3°
C6C9H9111.2°110.8°
C6C9H9A112.3°111.0°
C9C6C7114.7°111.4°
C9C6H6108.5°111.2°
H9C9H9A105.7°110.8°
C7C6H6106.0°111.9°
C6C7N8106.9°108.2°
C6C7H7110.3°109.7°
C6C7H7A110.9°109.7°
N8C7H7110.4°109.7°
N8C7H7A110.9°109.7°
C7N8C8A120.1°121.1°
C7N8HN8106.1°119.5°
H7C7H7A107.5°109.8°
C8AN8HN8106.0°119.4°
N8C8AN1120.3°121.0°
N8C8AC4A118.2°120.0°
N1C8AC4A121.5°119.1°
C8AN1C2119.3°121.1°
C8AC4AC4117.3°119.6°
C4AC4N3119.5°118.4°
C4AC4O4121.5°120.8°
N1C2NA2118.5°119.0°
N1C2N3121.6°121.9°
NA2C2N3120.0°119.1°
C2NA2HNA2110.1°120.0°
C2NA2HNAA124.9°120.0°
C2N3C4120.9°120.0°
C2N3HN3119.5°120.0°
HNA2NA2HNAA125.0°120.0°
C4N3HN3119.5°120.0°
N3C4O4119.0°120.8°
C16C11C12120.6°119.9°
C11C16C15119.3°119.9°
C11C16H16120.3°120.0°
C11C12C13119.9°119.9°
C11C12H12120.1°120.1°
C13C12H12120.0°120.0°
C12C13C14119.9°120.1°
C12C13H13120.1°120.0°
C14C13H13120.1°119.9°
C13C14C15120.0°120.1°
C15C16H16120.4°120.1°
C16C15C14120.3°120.1°
C16C15H15119.9°119.9°
C14C15H15119.8°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OE2CDCGOE1179.2°179.8°
OE2CDOE1HOE10.0°0.0°
OE2CDCGCB1.6°0.1°
OE2CDCGHG118.4°120.0°
OE2CDCGHGA120.0°120.0°
CGCDOE1HOE1179.3°179.8°
CDCGCBHG120.0°120.0°
CDCGCBHGA118.5°119.9°
CDCGHGHGA118.6°120.0°
CDCGCBCA147.1°180.0°
CDCGCBHB27.1°60.0°
CDCGCBHBA94.9°60.0°
OE1CDCGCB177.7°179.7°
OE1CDCGHG62.3°60.3°
OE1CDCGHGA59.2°59.8°
CBCGHGHGA118.5°120.0°
CGCBCAHB120.0°120.0°
CGCBCAHBA118.0°120.0°
CGCBHBHBA118.2°119.9°
CGCBCAN61.1°64.9°
CGCBCACT63.5°175.0°
CGCBCAHA179.4°55.0°
HGCGCBCA92.9°60.0°
HGCGCBHB147.1°NaN°
HGCGCBHBA25.1°60.0°
HGACGCBCA28.7°60.0°
HGACGCBHB91.3°60.0°
HGACGCBHBA146.7°179.9°
CACBHBHBA118.1°120.0°
CBCANCT127.2°120.0°
CBCANHA116.4°120.0°
CBCACTHA115.9°120.1°
CBCACTO269.3°120.0°
CBCACTO1111.0°60.0°
CBCANC86.6°155.0°
CBCANHN93.3°25.1°
HBCBCAN58.9°175.1°
HBCBCACT176.5°55.0°
HBCBCAHA60.5°65.0°
HBACBCAN179.1°55.0°
HBACBCACT54.5°65.0°
HBACBCAHA61.4°174.9°
NCACTHA119.5°119.9°
NCACTO2166.0°0.0°
NCACTO113.6°180.0°
CANCHN180.0°179.9°
CANCO3.5°0.1°
CANCC11175.8°180.0°
CACTO2O1179.7°180.0°
CACTO1HO1179.6°180.0°
CTCANC146.2°84.9°
CTCANHN33.9°94.9°
HACACTO246.6°119.9°
HACACTO1133.1°60.1°
HACANC29.7°35.0°
HACANHN150.3°145.1°
O2CTO1HO10.0°0.0°
NCOC11179.2°180.0°
NCC11C16157.9°0.3°
NCC11C1222.1°180.0°
HNNCO176.5°180.0°
HNNCC114.3°0.1°
OCC11C1622.9°179.7°
OCC11C12157.1°0.0°
CC11C16C12180.0°179.7°
CC11C12C13178.9°180.0°
CC11C12H121.1°0.0°
CC11C16C15179.0°180.0°
CC11C16H161.0°0.0°
CMN10C9C14116.9°119.1°
N10CMN5HM120.0°119.3°
N10CMN5HMA123.1°119.3°
N10CMHMHMA123.7°121.4°
N10CMN5C4A138.8°171.3°
N10CMN5C644.4°12.9°
CMN10C9C619.4°39.1°
CMN10C9H9100.6°157.3°
CMN10C9H9A141.2°79.2°
CMN10C14C1374.2°119.9°
CMN10C14C15104.1°59.9°
C9N10CMN539.3°32.9°
C9N10CMHM159.3°86.3°
C9N10CMHMA83.8°152.3°
N10C9C6N58.6°31.4°
N10C9C6H9120.0°118.2°
N10C9C6H9A121.9°118.3°
N10C9H9H9A122.0°123.4°
N10C9C6C7126.5°145.5°
N10C9C6H6115.3°88.8°
C9N10C14C13168.6°5.5°
C9N10C14C1513.0°174.3°
C14N10CMN583.2°152.0°
C14N10CMHM36.8°32.7°
C14N10CMHMA153.7°88.6°
C14N10C9C697.6°158.2°
C14N10C9H9142.4°83.6°
C14N10C9H9A24.3°39.9°
N10C14C13C12179.8°180.0°
N10C14C13C15178.4°179.8°
N10C14C13H130.3°0.0°
N10C14C15C16179.8°180.0°
N10C14C15H150.2°0.0°
N5CMHMHMA123.7°121.5°
CMN5C4AC6176.1°175.4°
CMN5C6C933.2°11.7°
CMN5C6C7155.8°129.5°
CMN5C6H686.2°108.5°
CMN5C4AC8A176.8°156.1°
CMN5C4AC43.6°23.7°
HMCMN5C4A18.8°69.4°
HMCMN5C6164.4°106.4°
HMACMN5C4A98.0°52.0°
HMACMN5C678.7°132.2°
C4AN5C6C9149.9°164.6°
C4AN5C6C727.3°46.8°
C4AN5C6H690.7°75.2°
N5C4AC8AN80.3°0.8°
N5C4AC8AN1179.1°179.2°
N5C4AC8AC4179.7°179.8°
N5C4AC4N3179.2°179.6°
N5C4AC4O40.7°0.4°
N5C6C9C7117.9°114.1°
N5C6C9H6123.9°120.2°
N5C6C9H9128.7°149.6°
N5C6C9H9A113.2°86.9°
N5C6C7H6124.0°121.6°
N5C6C7N848.4°54.6°
N5C6C7H7168.4°174.3°
N5C6C7H7A72.6°65.1°
C6N5C4AC8A0.7°19.3°
C6N5C4AC4179.7°160.9°
C6C9H9H9A122.0°123.6°
C9C6C7H6119.6°125.3°
C9C6C7N8164.8°167.7°
C9C6C7H775.2°72.6°
C9C6C7H7A43.8°48.0°
H9C9C6C7113.5°96.3°
H9C9C6H64.7°29.4°
H9AC9C6C74.6°27.3°
H9AC9C6H6122.8°152.9°
C6C7N8H7120.0°119.7°
C6C7N8H7A121.0°119.7°
C6C7H7H7A121.0°120.6°
C6C7N8C8A55.4°43.9°
C6C7N8HN864.6°136.0°
H6C6C7N875.6°67.0°
H6C6C7H744.4°52.6°
H6C6C7H7A163.4°173.3°
N8C7H7H7A121.0°120.6°
C7N8C8AHN8120.0°179.9°
C7N8C8AN1150.0°164.6°
C7N8C8AC4A29.4°15.5°
H7C7N8C8A175.4°163.5°
H7C7N8HN855.4°16.4°
H7AC7N8C8A65.6°75.8°
H7AC7N8HN8174.4°104.3°
N8C8AN1C4A179.4°179.9°
N8C8AC4AC4180.0°179.3°
N8C8AN1C2179.8°179.4°
HN8N8C8AN190.0°15.5°
HN8N8C8AC4A90.6°164.4°
N1C8AC4AC40.6°0.6°
C8AN1C2NA2179.3°179.9°
C8AN1C2N30.8°0.1°
C4AC8AN1C20.8°0.5°
C8AC4AC4N30.4°0.2°
C8AC4AC4O4179.6°179.8°
C4AC4N3C20.5°0.2°
C4AC4N3O4179.9°179.9°
C4AC4N3HN3179.5°179.8°
N1C2NA2N3179.9°180.0°
N1C2NA2HNA2180.0°0.0°
N1C2NA2HNAA0.0°180.0°
N1C2N3C40.7°0.2°
N1C2N3HN3179.3°179.7°
C2NA2HNA2HNAA180.0°180.0°
NA2C2N3C4179.4°179.7°
NA2C2N3HN30.6°0.4°
N3C2NA2HNA20.1°180.0°
N3C2NA2HNAA179.9°0.0°
C2N3C4HN3180.0°179.9°
C2N3C4O4179.6°179.8°
HN3N3C4O40.4°0.3°
C16C11C12C131.1°0.3°
C16C11C12H12178.9°179.8°
C11C16C15H16180.0°180.0°
C11C16C15C140.3°0.0°
C11C16C15H15179.7°180.0°
C11C12C13H12180.0°180.0°
C11C12C13C140.1°0.0°
C11C12C13H13180.0°180.0°
C12C11C16C151.0°0.3°
C12C11C16H16179.0°179.8°
C12C13C14H13180.0°180.0°
C12C13C14C151.3°0.2°
H12C12C13C14179.9°180.0°
H12C12C13H130.0°0.0°
C13C14C15C161.5°0.2°
C13C14C15H15178.5°179.8°
H13C13C14C15178.7°179.8°
C16C15C14H15180.0°180.0°
H16C16C15C14179.7°180.0°
H16C16C15H150.3°0.0°

217705

PDB entries from 2024-03-27

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