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5MR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CD2CE2sing1.40Å1.39ÅAromatic
CD2CGsing1.40Å1.39ÅAromatic
CD2CE3doub1.41Å1.39ÅAromatic
CE3CZ3sing1.40Å1.39ÅAromatic
CE3HE3sing1.09Å1.08Å
CZ3CH2doub1.39Å1.39ÅAromatic
CZ3HZ3sing1.09Å1.08Å
CH2CZ2sing1.40Å1.39ÅAromatic
CH2HH2sing1.09Å1.08Å
CZ2CE2doub1.40Å1.39ÅAromatic
CZ2HZ2sing1.08Å1.08Å
CE2NE1sing1.38Å1.33ÅAromatic
NE1CD1sing1.37Å1.33ÅAromatic
NE1HNE1sing1.01Å1.00Å
CD1CGdoub1.36Å1.33ÅAromatic
CD1HD1sing1.08Å1.08Å
CGCBsing1.51Å1.53Å
CBCAsing1.53Å1.53Å
CBHB1sing1.10Å1.10Å
CBHB2sing1.10Å1.10Å
CANsing1.44Å1.47Å
CACsing1.52Å1.53Å
CAHAsing1.10Å1.10Å
COdoub1.23Å1.23Å
CNAAsing1.38Å1.33Å
NAAHAA1sing1.01Å1.00Å
NAAHAA2sing1.02Å1.00Å
NCBDsing1.39Å1.33Å
NHNsing1.01Å1.00Å
CBDCBLsing1.53Å1.53Å
CBDOACdoub1.23Å1.23Å
CBLCAXsing1.53Å1.53Å
CBLCAVsing1.54Å1.53Å
CBLHBLsing1.10Å1.10Å
CAXPBNsing1.81Å1.81Å
CAXHAX1sing1.10Å1.10Å
CAXHAX2sing1.10Å1.10Å
PBNCBGsing1.76Å1.80Å
PBNOADdoub1.50Å1.48Å
PBNOAEsing1.62Å1.61Å
OAEHOAEsing0.98Å0.95Å
CBGCAPdoub1.40Å1.39ÅAromatic
CBGCAQsing1.40Å1.39ÅAromatic
CAPCAJsing1.39Å1.39ÅAromatic
CAPHAPsing1.09Å1.08Å
CAJCAGdoub1.39Å1.39ÅAromatic
CAJHAJsing1.09Å1.08Å
CAGCAKsing1.40Å1.39ÅAromatic
CAGHAGsing1.09Å1.08Å
CAKCAQdoub1.39Å1.39ÅAromatic
CAKHAKsing1.09Å1.08Å
CAQHAQsing1.09Å1.08Å
CAVCBFsing1.51Å1.53Å
CAVHAV1sing1.10Å1.10Å
CAVHAV2sing1.10Å1.10Å
CBFCAUdoub1.34Å1.33ÅAromatic
CBFOBBsing1.34Å1.36ÅAromatic
CAUCBHsing1.41Å1.33ÅAromatic
CAUHAUsing1.08Å1.08Å
OBBNAYsing1.39Å1.41ÅAromatic
NAYCBHdoub1.34Å1.33ÅAromatic
CBHCBEsing1.44Å1.39ÅAromatic
CBECANsing1.39Å1.39ÅAromatic
CBECAOdoub1.39Å1.39ÅAromatic
CANCAHdoub1.39Å1.39ÅAromatic
CANHANsing1.09Å1.08Å
CAHCAFsing1.39Å1.39ÅAromatic
CAHHAHsing1.09Å1.08Å
CAFCAIdoub1.39Å1.39ÅAromatic
CAFHAFsing1.09Å1.08Å
CAICAOsing1.39Å1.39ÅAromatic
CAIHAIsing1.09Å1.08Å
CAOHAOsing1.09Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CE2CD2CG106.2°106.0°
CE2CD2CE3120.3°118.8°
CD2CE2CZ2120.0°122.7°
CD2CE2NE1107.5°107.1°
CGCD2CE3133.5°135.2°
CD2CGCD1107.0°109.9°
CD2CGCB127.1°125.5°
CD2CE3CZ3119.7°119.2°
CD2CE3HE3120.1°120.9°
CZ3CE3HE3120.1°119.9°
CE3CZ3CH2120.1°120.8°
CE3CZ3HZ3120.0°119.5°
CH2CZ3HZ3119.9°119.7°
CZ3CH2CZ2120.1°121.0°
CZ3CH2HH2120.0°119.6°
CZ2CH2HH2119.9°119.4°
CH2CZ2CE2119.8°117.5°
CH2CZ2HZ2120.1°121.0°
CE2CZ2HZ2120.1°121.5°
CZ2CE2NE1132.5°130.2°
CE2NE1CD1109.4°110.2°
CE2NE1HNE1125.3°124.9°
CD1NE1HNE1125.3°124.9°
NE1CD1CG109.9°106.8°
NE1CD1HD1125.0°120.5°
CGCD1HD1125.0°132.7°
CD1CGCB125.9°124.6°
CGCBCA111.6°112.8°
CGCBHB1108.8°109.7°
CGCBHB2108.3°108.2°
CACBHB1108.8°110.2°
CACBHB2108.3°110.4°
CBCAN108.4°112.2°
CBCAC109.2°110.4°
CBCAHA111.3°111.3°
HB1CBHB2111.2°105.2°
NCAC112.1°107.1°
NCAHA108.4°106.6°
CANCBD123.0°122.1°
CANHN118.5°119.0°
CCAHA107.5°109.1°
CACO122.0°123.9°
CACNAA114.3°112.8°
OCNAA123.6°123.3°
CNAAHAA1109.9°118.9°
CNAAHAA2125.0°122.3°
HAA1NAAHAA2125.1°118.8°
CBDNHN118.5°118.9°
NCBDCBL114.6°112.5°
NCBDOAC123.9°124.5°
CBLCBDOAC121.5°123.0°
CBDCBLCAX107.6°109.1°
CBDCBLCAV112.0°112.4°
CBDCBLHBL108.9°107.7°
CAXCBLCAV109.0°110.8°
CAXCBLHBL111.9°107.5°
CBLCAXPBN112.0°114.4°
CBLCAXHAX1108.6°109.9°
CBLCAXHAX2108.1°110.5°
CAVCBLHBL107.5°109.2°
CBLCAVCBF115.1°113.0°
CBLCAVHAV1107.6°109.9°
CBLCAVHAV2106.4°110.8°
PBNCAXHAX1108.6°107.7°
PBNCAXHAX2108.0°107.1°
CAXPBNCBG108.4°109.1°
CAXPBNOAD108.1°110.4°
CAXPBNOAE103.9°100.9°
HAX1CAXHAX2111.5°107.0°
CBGPBNOAD118.5°118.0°
CBGPBNOAE107.4°106.1°
PBNCBGCAP120.0°120.5°
PBNCBGCAQ119.9°120.4°
OADPBNOAE109.6°111.1°
PBNOAEHOAE109.5°119.1°
CAPCBGCAQ120.0°119.2°
CBGCAPCAJ120.1°120.4°
CBGCAPHAP120.0°119.8°
CBGCAQCAK120.0°120.4°
CBGCAQHAQ120.0°119.9°
CAJCAPHAP120.0°119.8°
CAPCAJCAG119.9°120.0°
CAPCAJHAJ120.0°120.0°
CAGCAJHAJ120.0°120.0°
CAJCAGCAK120.0°120.0°
CAJCAGHAG120.0°120.0°
CAKCAGHAG120.0°120.0°
CAGCAKCAQ120.0°120.0°
CAGCAKHAK120.0°119.9°
CAQCAKHAK120.0°120.0°
CAKCAQHAQ120.0°119.7°
CBFCAVHAV1107.6°107.6°
CBFCAVHAV2106.3°109.4°
CAVCBFCAU129.9°132.5°
CAVCBFOBB121.5°114.9°
HAV1CAVHAV2114.0°105.7°
CAUCBFOBB108.3°112.6°
CBFCAUCBH109.5°102.4°
CBFCAUHAU125.3°128.6°
CBFOBBNAY105.8°107.6°
CBHCAUHAU125.2°129.0°
CAUCBHNAY109.1°112.3°
CAUCBHCBE126.5°126.9°
OBBNAYCBH107.3°105.0°
NAYCBHCBE124.4°120.8°
CBHCBECAN120.7°119.9°
CBHCBECAO119.7°119.9°
CANCBECAO119.5°120.1°
CBECANCAH120.4°119.9°
CBECANHAN119.8°120.9°
CBECAOCAI120.2°119.9°
CBECAOHAO119.9°120.9°
CAHCANHAN119.8°119.1°
CANCAHCAF120.0°120.0°
CANCAHHAH120.0°120.0°
CAFCAHHAH120.0°120.0°
CAHCAFCAI119.7°120.0°
CAHCAFHAF120.2°120.0°
CAICAFHAF120.1°120.0°
CAFCAICAO120.2°120.0°
CAFCAIHAI119.9°120.0°
CAOCAIHAI119.9°120.0°
CAICAOHAO119.9°119.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CE2CD2CGCE3180.0°180.0°
CE2CD2CE3CZ30.1°0.0°
CE2CD2CE3HE3179.9°179.9°
CD2CE2CZ2CH20.1°0.0°
CD2CE2CZ2NE1179.8°179.9°
CD2CE2CZ2HZ2180.0°179.9°
CD2CE2NE1CD10.0°0.0°
CD2CE2NE1HNE1180.0°180.0°
CE2CD2CGCD10.2°0.0°
CE2CD2CGCB179.3°180.0°
CGCD2CE3CZ3179.8°180.0°
CGCD2CE3HE30.1°0.0°
CGCD2CE2CZ2179.9°180.0°
CGCD2CE2NE10.1°0.0°
CD2CGCD1NE10.2°0.0°
CD2CGCD1CB179.4°180.0°
CD2CGCD1HD1179.8°179.9°
CD2CGCBCA91.7°90.0°
CD2CGCBHB128.3°146.8°
CD2CGCBHB2149.2°32.5°
CD2CE3CZ3HE3180.0°180.0°
CD2CE3CZ3CH20.1°0.0°
CD2CE3CZ3HZ3179.9°180.0°
CE3CD2CE2CZ20.0°0.0°
CE3CD2CE2NE1179.9°180.0°
CE3CD2CGCD1179.8°180.0°
CE3CD2CGCB0.8°0.0°
CE3CZ3CH2HZ3180.0°180.0°
CE3CZ3CH2CZ20.0°0.0°
CE3CZ3CH2HH2180.0°180.0°
HE3CE3CZ3CH2179.9°180.0°
HE3CE3CZ3HZ30.1°0.1°
CZ3CH2CZ2HH2180.0°180.0°
CZ3CH2CZ2CE20.1°0.0°
CZ3CH2CZ2HZ2179.9°179.9°
HZ3CZ3CH2CZ2180.0°180.0°
HZ3CZ3CH2HH20.0°0.0°
CH2CZ2CE2HZ2180.0°180.0°
CH2CZ2CE2NE1179.7°180.0°
HH2CH2CZ2CE2179.9°180.0°
HH2CH2CZ2HZ20.1°0.0°
CZ2CE2NE1CD1179.8°180.0°
CZ2CE2NE1HNE10.2°0.0°
HZ2CZ2CE2NE10.2°0.0°
CE2NE1CD1HNE1180.0°180.0°
CE2NE1CD1CG0.1°0.0°
CE2NE1CD1HD1179.9°180.0°
NE1CD1CGHD1180.0°180.0°
NE1CD1CGCB179.3°180.0°
HNE1NE1CD1CG179.9°180.0°
HNE1NE1CD1HD10.1°0.0°
CD1CGCBCA87.6°90.0°
CD1CGCBHB1152.4°33.2°
CD1CGCBHB231.5°147.5°
HD1CD1CGCB0.8°0.0°
CGCBCAHB1120.0°122.9°
CGCBCAHB2119.1°121.2°
CGCBHB1HB2119.2°116.2°
CGCBCAN51.1°59.4°
CGCBCAC173.6°178.8°
CGCBCAHA67.9°59.9°
CACBHB1HB2119.1°119.1°
CBCANC120.6°121.3°
CBCANHA120.9°122.0°
CBCACHA120.9°122.6°
CBCACO80.6°87.5°
CBCACNAA98.0°94.8°
CBCANCBD133.3°152.1°
CBCANHN46.7°28.0°
HB1CBCAN171.1°177.7°
HB1CBCAC66.5°58.3°
HB1CBCAHA52.1°63.0°
HB2CBCAN68.0°61.8°
HB2CBCAC54.4°57.5°
HB2CBCAHA173.0°178.8°
NCACHA119.0°115.0°
NCACO39.5°34.9°
NCACNAA141.9°142.8°
CANCBDHN180.0°180.0°
CANCBDCBL176.6°178.6°
CANCBDOAC2.7°0.0°
CACONAA178.5°177.5°
CACNAAHAA10.6°178.8°
CACNAAHAA2179.4°1.2°
CCANCBD106.1°86.7°
CCANHN73.9°93.3°
HACACO158.5°150.0°
HACACNAA22.9°27.7°
HACANCBD12.4°30.0°
HACANHN167.6°150.0°
OCNAAHAA1179.2°1.1°
OCNAAHAA20.8°178.9°
CNAAHAA1HAA2180.0°180.0°
NCBDCBLOAC179.4°178.7°
NCBDCBLCAX104.8°87.8°
NCBDCBLCAV135.4°148.9°
NCBDCBLHBL16.7°28.6°
HNNCBDCBL3.4°1.3°
HNNCBDOAC177.3°180.0°
CBDCBLCAXCAV121.6°124.2°
CBDCBLCAXHBL119.6°116.6°
CBDCBLCAVHBL119.6°119.5°
CBDCBLCAXPBN167.5°61.3°
CBDCBLCAXHAX172.5°60.0°
CBDCBLCAXHAX248.6°177.8°
CBDCBLCAVCBF74.6°79.4°
CBDCBLCAVHAV1165.4°40.8°
CBDCBLCAVHAV242.8°157.3°
OACCBDCBLCAX74.5°93.5°
OACCBDCBLCAV45.2°29.8°
OACCBDCBLHBL164.0°150.1°
CAXCBLCAVHBL121.5°118.2°
CBLCAXPBNHAX1120.0°122.5°
CBLCAXPBNHAX2118.9°122.8°
CBLCAXHAX1HAX2119.0°120.0°
CBLCAXPBNCBG176.8°177.5°
CBLCAXPBNOAD47.1°46.4°
CBLCAXPBNOAE69.2°71.1°
CAXCBLCAVCBF166.4°158.3°
CAXCBLCAVHAV146.5°81.5°
CAXCBLCAVHAV276.1°35.0°
CAVCBLCAXPBN70.9°62.9°
CAVCBLCAXHAX149.1°175.8°
CAVCBLCAXHAX2170.2°58.0°
CBLCAVCBFHAV1120.0°121.6°
CBLCAVCBFHAV2117.5°124.0°
CBLCAVHAV1HAV2117.7°119.7°
CBLCAVCBFCAU35.7°90.0°
CBLCAVCBFOBB150.9°90.0°
HBLCBLCAXPBN47.9°177.8°
HBLCBLCAXHAX1167.9°56.6°
HBLCBLCAXHAX271.0°61.2°
HBLCBLCAVCBF45.0°40.0°
HBLCBLCAVHAV175.0°160.3°
HBLCBLCAVHAV2162.4°83.3°
PBNCAXHAX1HAX2118.9°114.8°
CAXPBNCBGOAD123.6°126.9°
CAXPBNCBGOAE111.7°107.9°
CAXPBNOADOAE112.6°111.0°
CAXPBNOAEHOAE158.5°6.1°
CAXPBNCBGCAP108.3°60.1°
CAXPBNCBGCAQ73.5°120.0°
HAX1CAXPBNCBG63.2°60.0°
HAX1CAXPBNOAD167.2°168.8°
HAX1CAXPBNOAE50.8°51.4°
HAX2CAXPBNCBG57.9°54.7°
HAX2CAXPBNOAD71.8°76.4°
HAX2CAXPBNOAE171.9°166.1°
CBGPBNOADOAE123.7°122.7°
CBGPBNOAEHOAE43.9°119.8°
PBNCBGCAPCAQ178.2°180.0°
PBNCBGCAPCAJ178.0°180.0°
PBNCBGCAPHAP2.0°0.0°
PBNCBGCAQCAK178.0°180.0°
PBNCBGCAQHAQ2.0°0.0°
OADPBNOAEHOAE86.2°110.9°
OADPBNCBGCAP128.1°173.0°
OADPBNCBGCAQ50.1°6.9°
OAEPBNCBGCAP3.3°47.8°
OAEPBNCBGCAQ174.8°132.1°
CBGCAPCAJHAP180.0°180.0°
CBGCAPCAJCAG0.1°0.0°
CBGCAPCAJHAJ179.9°180.0°
CAPCBGCAQCAK0.2°0.0°
CAPCBGCAQHAQ179.8°180.0°
CAQCBGCAPCAJ0.2°0.0°
CAQCBGCAPHAP179.8°180.0°
CBGCAQCAKCAG0.0°0.0°
CBGCAQCAKHAQ180.0°180.0°
CBGCAQCAKHAK179.9°180.0°
CAPCAJCAGHAJ180.0°179.9°
CAPCAJCAGCAK0.0°0.0°
CAPCAJCAGHAG179.9°180.0°
HAPCAPCAJCAG179.9°180.0°
HAPCAPCAJHAJ0.1°0.0°
CAJCAGCAKHAG180.0°179.9°
CAJCAGCAKCAQ0.1°0.0°
CAJCAGCAKHAK180.0°180.0°
HAJCAJCAGCAK180.0°179.9°
HAJCAJCAGHAG0.0°0.0°
CAGCAKCAQHAK180.0°180.0°
CAGCAKCAQHAQ179.9°180.0°
HAGCAGCAKCAQ179.9°180.0°
HAGCAGCAKHAK0.0°0.0°
HAKCAKCAQHAQ0.1°0.0°
CBFCAVHAV1HAV2117.7°116.9°
CAVCBFCAUOBB174.1°180.0°
CAVCBFCAUCBH173.9°180.0°
CAVCBFCAUHAU6.1°0.0°
CAVCBFOBBNAY174.4°180.0°
HAV1CAVCBFCAU84.3°31.6°
HAV1CAVCBFOBB89.1°148.4°
HAV2CAVCBFCAU153.2°146.0°
HAV2CAVCBFOBB33.4°34.0°
CBFCAUCBHHAU180.0°180.0°
CAUCBFOBBNAY0.2°0.0°
CBFCAUCBHNAY0.0°0.0°
CBFCAUCBHCBE178.5°180.0°
OBBCBFCAUCBH0.2°0.0°
OBBCBFCAUHAU179.8°180.0°
CBFOBBNAYCBH0.2°0.0°
CAUCBHNAYOBB0.2°0.0°
CAUCBHNAYCBE178.5°180.0°
CAUCBHCBECAN5.4°30.0°
CAUCBHCBECAO175.6°150.1°
HAUCAUCBHNAY180.0°180.0°
HAUCAUCBHCBE1.5°0.0°
OBBNAYCBHCBE178.7°180.0°
NAYCBHCBECAN172.8°150.0°
NAYCBHCBECAO6.1°29.9°
CBHCBECANCAO179.0°179.9°
CBHCBECANCAH178.9°180.0°
CBHCBECANHAN1.1°0.1°
CBHCBECAOCAI178.9°180.0°
CBHCBECAOHAO1.1°0.1°
CBECANCAHHAN180.0°179.9°
CBECANCAHCAF0.0°0.1°
CBECANCAHHAH180.0°179.9°
CANCBECAOCAI0.1°0.1°
CANCBECAOHAO179.9°179.9°
CAOCBECANCAH0.1°0.1°
CAOCBECANHAN179.9°180.0°
CBECAOCAICAF0.1°0.0°
CBECAOCAIHAO180.0°179.9°
CBECAOCAIHAI180.0°180.0°
CANCAHCAFHAH180.0°179.9°
CANCAHCAFCAI0.0°0.0°
CANCAHCAFHAF180.0°180.0°
HANCANCAHCAF180.0°180.0°
HANCANCAHHAH0.0°0.1°
CAHCAFCAIHAF180.0°180.0°
CAHCAFCAICAO0.0°0.0°
CAHCAFCAIHAI180.0°180.0°
HAHCAHCAFCAI180.0°179.9°
HAHCAHCAFHAF0.0°0.1°
CAFCAICAOHAI180.0°180.0°
CAFCAICAOHAO179.9°179.9°
HAFCAFCAICAO180.0°180.0°
HAFCAFCAIHAI0.0°0.0°
HAICAICAOHAO0.1°0.1°

248636

PDB entries from 2026-02-04

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