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66C

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBBCBAdoub1.38Å1.39ÅAromatic
CBBCBCsing1.37Å1.39ÅAromatic
CBACAZsing1.38Å1.39ÅAromatic
CBCCAWdoub1.42Å1.40ÅAromatic
CAZCAVdoub1.40Å1.40ÅAromatic
NCAsing1.47Å1.45Å
CACsing1.51Å1.53Å
CACBsing1.53Å1.52Å
CAWCAVsing1.37Å1.41ÅAromatic
CAWCAXsing1.47Å1.50Å
CASCANdoub1.38Å1.40ÅAromatic
CASCARsing1.38Å1.37ÅAromatic
CAVCATsing1.51Å1.51Å
COdoub1.21Å1.23Å
CANCAOsing1.38Å1.40ÅAromatic
CARCAQdoub1.39Å1.39ÅAromatic
CAXCAYdoub1.36Å1.47ÅAromatic
CAXN01sing1.40Å1.33ÅAromatic
CAQCAPsing1.38Å1.40ÅAromatic
CAQCAYsing1.49Å1.46Å
CAOCAPdoub1.39Å1.37ÅAromatic
CBCGsing1.51Å1.50Å
CD1CGdoub1.38Å1.35ÅAromatic
CD1CE1sing1.38Å1.39ÅAromatic
CATNAUsing1.46Å1.46Å
CGCD2sing1.38Å1.38ÅAromatic
CAPNAUsing1.40Å1.42Å
CE1CZdoub1.39Å1.40ÅAromatic
CAYN03sing1.36Å1.35ÅAromatic
CD2CE2doub1.38Å1.38ÅAromatic
CZCE2sing1.39Å1.38ÅAromatic
CZN01sing1.40Å1.34Å
N01N02sing1.39Å1.39ÅAromatic
NAUCBDsing1.35Å1.38Å
N03N02doub1.28Å1.38ÅAromatic
CBDOBEdoub1.21Å1.22Å
CBDCFsing1.51Å1.54Å
CFCHsing1.53Å1.53Å
CHNBHsing1.47Å1.48Å
CFH1sing1.09Å1.10Å
CFH24sing1.09Å1.10Å
CHH3sing1.09Å1.10Å
CHH4sing1.09Å1.10Å
NBHH5sing1.01Å1.00Å
NBHH6sing1.01Å1.00Å
CATH8sing1.09Å1.10Å
CATH9sing1.09Å1.10Å
CAOH10sing1.08Å1.08Å
CANH11sing1.08Å1.08Å
CASH12sing1.08Å1.08Å
CARH13sing1.08Å1.08Å
CAZH14sing1.08Å1.08Å
CBAH15sing1.08Å1.08Å
CBBH16sing1.08Å1.08Å
CBCH17sing1.08Å1.08Å
CE2H18sing1.08Å1.08Å
CD2H19sing1.08Å1.08Å
CE1H20sing1.08Å1.08Å
CD1H21sing1.08Å1.08Å
CBH22sing1.09Å1.10Å
CBH23sing1.09Å1.10Å
CAHAsing1.09Å1.10Å
NHsing1.01Å1.00Å
NH2sing1.01Å1.00Å
COXTsing1.34Å1.32Å
OXTHXTsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBACBBCBC119.6°119.5°
CBBCBACAZ119.9°119.0°
CBBCBAH15120.0°120.5°
CBACBBH16120.2°120.2°
CBBCBCCAW121.3°122.1°
CBCCBBH16120.2°120.3°
CBBCBCH17119.3°118.9°
CBACAZCAV120.8°122.0°
CBACAZH14119.6°119.0°
CAZCBAH15120.0°120.5°
CBCCAWCAV119.0°117.7°
CBCCAWCAX116.0°110.9°
CAWCBCH17119.3°119.0°
CAZCAVCAW119.3°119.7°
CAZCAVCAT114.3°112.8°
CAVCAZH14119.6°119.1°
NCAC108.2°109.4°
NCACB108.2°109.5°
NCAHA111.1°109.4°
CANH109.5°111.0°
CANH2109.5°111.0°
CCACB109.3°109.5°
CACO121.6°120.0°
CCAHA109.9°109.5°
CACOXT115.7°120.0°
CACBCG109.2°109.5°
CACBH22109.5°109.5°
CACBH23109.6°109.5°
CBCAHA110.1°109.5°
CAVCAWCAX125.0°131.4°
CAWCAVCAT126.3°127.5°
CAWCAXCAY128.1°138.5°
CAWCAXN01131.1°116.6°
CANCASCAR118.9°120.4°
CASCANCAO122.6°120.5°
CASCANH11118.7°119.8°
CANCASH12120.6°119.8°
CASCARCAQ117.3°119.2°
CARCASH12120.6°119.8°
CASCARH13121.3°120.4°
CAVCATNAU117.3°112.4°
CAVCATH8107.5°108.9°
CAVCATH9107.5°108.8°
OCOXT122.6°120.0°
CANCAOCAP118.9°119.5°
CANCAOH10120.5°120.3°
CAOCANH11118.7°119.7°
CARCAQCAP124.8°120.5°
CARCAQCAY119.8°120.4°
CAQCARH13121.4°120.4°
CAYCAXN01100.8°104.9°
CAXCAYCAQ124.9°131.2°
CAXCAYN03111.4°109.3°
CAXN01CZ124.6°126.4°
CAXN01N02114.8°107.2°
CAPCAQCAY115.3°119.1°
CAQCAPCAO117.4°119.9°
CAQCAPNAU120.6°120.2°
CAQCAYN03123.5°119.5°
CAOCAPNAU121.9°119.9°
CAPCAOH10120.6°120.2°
CBCGCD1120.5°119.9°
CBCGCD2121.8°120.0°
CGCBH22109.5°109.5°
CGCBH23109.5°109.5°
CGCD1CE1118.7°120.1°
CD1CGCD2117.8°120.1°
CGCD1H21120.7°120.0°
CD1CE1CZ125.4°119.9°
CD1CE1H20117.3°120.1°
CE1CD1H21120.6°120.0°
CATNAUCAP120.9°115.9°
CATNAUCBD119.9°122.0°
NAUCATH8107.5°108.9°
NAUCATH9107.5°108.9°
CGCD2CE2123.4°120.1°
CGCD2H19118.3°119.9°
CAPNAUCBD119.2°122.0°
CE1CZCE2114.2°119.8°
CE1CZN01120.7°120.1°
CZCE1H20117.3°120.0°
CAYN03N02107.4°110.1°
CD2CE2CZ120.6°119.9°
CD2CE2H18119.7°120.1°
CE2CD2H19118.3°119.9°
CE2CZN01125.1°120.1°
CZCE2H18119.7°120.0°
CZN01N02120.4°126.4°
N01N02N03105.6°108.4°
NAUCBDOBE120.7°120.0°
NAUCBDCF123.5°120.0°
OBECBDCF115.8°120.0°
CBDCFCH114.5°109.5°
CBDCFH1108.2°109.5°
CBDCFH24108.2°109.5°
CFCHNBH107.2°109.5°
CHCFH1108.2°109.4°
CHCFH24108.2°109.5°
CFCHH3110.1°109.5°
CFCHH4110.1°109.5°
NBHCHH3110.0°109.5°
NBHCHH4110.0°109.4°
CHNBHH5109.5°110.9°
CHNBHH6109.5°111.0°
H1CFH24109.5°109.5°
H3CHH4109.4°109.4°
H5NBHH6109.5°111.0°
H8CATH9109.5°108.9°
H22CBH23109.4°109.5°
HNH2109.5°111.0°
COXTHXT109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBACBBCBCH16180.0°179.9°
CBBCBACAZH15180.0°179.9°
CBACBBCBCCAW0.2°0.2°
CBBCBACAZCAV0.8°0.3°
CBBCBACAZH14179.2°179.7°
CBACBBCBCH17179.7°179.9°
CBCCBBCBACAZ0.0°0.9°
CBBCBCCAWH17180.0°180.0°
CBBCBCCAWCAV0.2°1.8°
CBBCBCCAWCAX179.5°176.3°
CBCCBBCBAH15180.0°179.1°
CBACAZCAVH14180.0°180.0°
CBACAZCAVCAW1.3°1.4°
CBACAZCAVCAT179.4°178.4°
CAZCBACBBH16179.9°179.2°
CBCCAWCAVCAZ1.0°2.4°
CBCCAWCAVCAX179.7°177.6°
CBCCAWCAVCAT178.9°177.4°
CBCCAWCAXCAY119.3°151.4°
CBCCAWCAXN0161.5°28.4°
CAWCBCCBBH16179.8°179.8°
CAZCAVCAWCAT177.9°179.8°
CAZCAVCAWCAX178.7°175.2°
CAZCAVCATNAU153.4°157.7°
CAZCAVCATH885.5°36.9°
CAZCAVCATH932.3°81.6°
CAVCAZCBAH15179.2°179.7°
NCACCB117.6°120.0°
NCACHA121.5°119.9°
NCACBHA121.6°120.0°
NCACO28.0°20.0°
NCACBCG149.9°65.0°
NCACBH2229.9°175.0°
NCACBH2390.1°55.0°
CANHH2120.0°124.0°
NCACOXT150.4°159.9°
CCACBHA120.8°120.0°
CACOOXT178.3°179.9°
CCACBCG92.5°175.0°
CCACBH22147.6°55.0°
CCACBH2327.5°65.0°
CCANH180.0°63.9°
CCANH260.0°60.0°
CACOXTHXT178.4°180.0°
CBCACO89.6°100.0°
CACBCGH22120.0°120.0°
CACBCGH23120.0°120.0°
CACBCGCD1112.8°90.0°
CACBCGCD268.7°90.8°
CACBH22H23120.1°120.0°
CBCANH61.7°176.1°
CBCANH2178.3°60.0°
CBCACOXT92.0°80.1°
CAVCAWCAXCAY61.1°30.8°
CAVCAWCAXN01118.2°149.3°
CAWCAVCATNAU28.6°22.5°
CAWCAVCATH892.6°143.3°
CAWCAVCATH9149.7°98.1°
CAWCAVCAZH14178.8°178.6°
CAVCAWCBCH17179.8°178.2°
CAXCAWCAVCAT0.8°5.0°
CAWCAXCAYN01179.5°179.9°
CAWCAXCAYCAQ4.3°2.7°
CAWCAXCAYN03178.9°177.4°
CAWCAXN01CZ4.6°2.2°
CAWCAXN01N02179.9°177.8°
CAXCAWCBCH170.5°3.7°
CANCASCARH12180.0°180.0°
CASCANCAOH11180.0°180.0°
CANCASCARCAQ2.1°0.2°
CASCANCAOCAP1.1°0.1°
CASCANCAOH10178.9°179.8°
CANCASCARH13177.9°179.9°
CARCASCANCAO0.5°0.9°
CASCARCAQH13180.0°179.9°
CASCARCAQCAP2.5°2.0°
CASCARCAQCAY178.7°175.2°
CARCASCANH11179.5°179.0°
CAVCATNAUH8121.1°120.7°
CAVCATNAUH9121.1°120.7°
CAVCATNAUCAP54.5°102.5°
CAVCATNAUCBD125.6°77.5°
CAVCATH8H9116.4°118.5°
CATCAVCAZH140.6°1.6°
OCCAHA149.6°139.9°
OCOXTHXT0.0°0.1°
CANCAOCAPCAQ0.8°1.8°
CANCAOCAPH10180.0°179.9°
CANCAOCAPNAU177.7°178.0°
CAOCANCASH12179.6°179.0°
CARCAQCAYCAX124.3°137.9°
CARCAQCAPCAY176.4°177.3°
CARCAQCAPCAO1.0°2.9°
CARCAQCAPNAU176.0°176.9°
CARCAQCAYN0361.7°42.3°
CAQCARCASH12177.9°179.9°
CAXCAYCAQCAP59.1°44.8°
CAXCAYCAQN03174.0°179.9°
CAYCAXN01CZ176.0°177.9°
CAYCAXN01N020.6°2.1°
CAXCAYN03N021.5°1.9°
N01CAXCAYCAQ175.2°177.5°
CAXN01CZCE1127.0°50.8°
N01CAXCAYN030.6°2.4°
CAXN01CZCE252.1°129.4°
CAXN01CZN02175.1°180.0°
CAXN01N02N031.6°1.0°
CAQCAPCAONAU176.9°179.8°
CAQCAPNAUCAT99.8°96.2°
CAPCAQCAYN03114.9°135.1°
CAQCAPNAUCBD80.2°83.8°
CAQCAPCAOH10179.2°178.3°
CAPCAQCARH13177.5°178.0°
CAYCAQCAPCAO177.3°174.5°
CAYCAQCAPNAU0.4°5.7°
CAQCAYN03N02176.2°178.0°
CAYCAQCARH131.3°4.7°
CAOCAPNAUCAT83.4°83.6°
CAOCAPNAUCBD96.6°96.5°
CAPCAOCANH11178.9°179.9°
CBCGCD1CD2178.6°179.1°
CBCGCD1CE1179.8°180.0°
CBCGCD2CE2179.4°179.7°
CBCGCD2H190.6°0.3°
CBCGCD1H210.2°0.8°
CGCBH22H23120.1°120.0°
CGCBCAHA28.3°55.0°
CGCD1CE1H21180.0°179.1°
CGCD1CE1CZ0.6°0.6°
CD1CGCD2CE22.0°0.6°
CD1CGCD2H19177.9°179.4°
CGCD1CE1H20179.4°179.5°
CD1CGCBH227.1°149.9°
CD1CGCBH23127.2°29.9°
CE1CD1CGCD21.6°0.9°
CD1CE1CZH20180.0°179.9°
CD1CE1CZCE20.1°0.0°
CD1CE1CZN01179.1°179.7°
CATNAUCAPCBD179.9°180.0°
CATNAUCBDOBE21.1°0.0°
CATNAUCBDCF159.0°179.7°
NAUCATH8H9116.5°118.6°
CGCD2CE2H19180.0°180.0°
CGCD2CE2CZ1.3°0.1°
CGCD2CE2H18178.7°179.9°
CD2CGCD1H21178.4°180.0°
CD2CGCBH22171.4°29.2°
CD2CGCBH2351.3°149.2°
CAPNAUCBDOBE158.8°180.0°
CAPNAUCBDCF21.0°0.3°
CAPNAUCATH8175.6°136.8°
CAPNAUCATH966.6°18.2°
NAUCAPCAOH102.2°1.9°
CE1CZCE2CD20.2°0.2°
CE1CZCE2N01179.2°179.7°
CE1CZN01N0248.1°129.2°
CE1CZCE2H18179.8°179.8°
CZCE1CD1H21179.4°179.7°
CAYN03N02N011.8°0.5°
CD2CE2CZH18180.0°180.0°
CD2CE2CZN01179.4°180.0°
CE2CZN01N02132.7°50.6°
CZCE2CD2H19178.7°180.0°
CE2CZCE1H20179.9°180.0°
CZN01N02N03177.1°179.0°
N01CZCE2H180.6°0.0°
N01CZCE1H200.9°0.2°
NAUCBDOBECF179.9°179.7°
NAUCBDCFCH147.1°179.7°
NAUCBDCFH126.4°59.7°
NAUCBDCFH2492.2°60.3°
CBDNAUCATH84.4°43.2°
CBDNAUCATH9113.3°161.8°
OBECBDCFCH32.8°0.0°
OBECBDCFH1153.5°120.0°
OBECBDCFH2487.9°120.0°
CBDCFCHH1120.8°120.0°
CBDCFCHH24120.7°120.0°
CBDCFCHNBH179.5°180.0°
CBDCFH1H24117.7°120.0°
CBDCFCHH359.8°60.0°
CBDCFCHH460.9°60.0°
CFCHNBHH3119.7°120.1°
CFCHNBHH4119.7°120.0°
CHCFH1H24117.7°120.0°
CFCHH3H4121.1°120.0°
CFCHNBHH5180.0°56.0°
CFCHNBHH660.0°180.0°
NBHCHCFH159.8°60.0°
NBHCHCFH2458.7°60.0°
NBHCHH3H4121.0°119.9°
CHNBHH5H6120.0°124.0°
H1CFCHH3179.4°180.0°
H1CFCHH459.9°60.0°
H24CFCHH360.9°60.1°
H24CFCHH4178.4°180.0°
H3CHNBHH560.3°64.0°
H3CHNBHH6179.7°59.9°
H4CHNBHH560.3°176.0°
H4CHNBHH659.7°60.0°
H10CAOCANH111.1°0.2°
H11CANCASH120.4°1.0°
H12CASCARH132.1°0.1°
H14CAZCBAH150.8°0.4°
H15CBACBBH160.1°0.9°
H16CBBCBCH170.2°0.2°
H18CE2CD2H191.3°0.0°
H20CE1CD1H210.6°0.3°
H22CBCAHA91.6°65.0°
H23CBCAHA148.3°175.0°
HACANH59.2°56.0°
HACANH260.8°180.0°
HACACOXT28.8°40.0°

222415

PDB entries from 2024-07-10

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