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2XW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NADCABsing1.38Å1.33Å
CABNACsing1.35Å1.33ÅAromatic
CABNBOdoub1.32Å1.32ÅAromatic
NACNBNsing1.40Å1.22ÅAromatic
NBOCBPsing1.34Å1.32ÅAromatic
NBNCBPdoub1.31Å1.33ÅAromatic
CBPNBHsing1.40Å1.33Å
NBHCBIsing1.36Å1.33ÅAromatic
NBHNBGsing1.29Å1.26ÅAromatic
C8C7sing1.51Å1.53Å
CBICBEdoub1.35Å1.32ÅAromatic
NBGNBFdoub1.29Å1.24ÅAromatic
O3C3sing1.43Å1.43Å
OAWCAUsing1.43Å1.44Å
N2C7sing1.35Å1.34Å
N2C2sing1.46Å1.47Å
C7O7doub1.21Å1.23Å
C3C2sing1.53Å1.52Å
C3C4sing1.53Å1.53Å
CBENBFsing1.34Å1.32ÅAromatic
CBECBDsing1.51Å1.53Å
OAXCBDsing1.43Å1.43Å
OAXCBBsing1.43Å1.43Å
O4C4sing1.43Å1.43Å
O4CATsing1.43Å1.43Å
CBAOAYsing1.43Å1.43Å
CBACBBsing1.53Å1.52Å
CBACATsing1.53Å1.52Å
C2C1sing1.53Å1.52Å
OASCATsing1.43Å1.43Å
OASCAVsing1.43Å1.43Å
CAUCBBsing1.53Å1.51Å
CAUCAVsing1.53Å1.52Å
C4C5sing1.53Å1.53Å
C1O1sing1.43Å1.44Å
C1O5sing1.43Å1.43Å
CAZCAVsing1.53Å1.53Å
CAZOBCsing1.43Å1.43Å
O1CAPsing1.43Å1.43Å
C5O5sing1.43Å1.44Å
C5C6sing1.53Å1.53Å
CAPCAQsing1.51Å1.53Å
C6O6sing1.43Å1.43Å
CAQCARdoub1.31Å1.53Å
C8H83sing1.09Å1.10Å
C8H82sing1.09Å1.10Å
C8H81sing1.09Å1.10Å
N2H22sing0.97Å1.00Å
C2H21sing1.09Å1.10Å
C3H31sing1.09Å1.10Å
O3H32sing0.97Å0.95Å
C1H1sing1.09Å1.10Å
CAPH63sing1.09Å1.10Å
CAPHAPsing1.09Å1.10Å
CAQHAQsing1.08Å1.08Å
CARH64sing1.08Å1.08Å
CARHARsing1.08Å1.08Å
C5H5sing1.09Å1.10Å
C6H62sing1.09Å1.10Å
C6H61sing1.09Å1.10Å
O6H67sing0.97Å0.95Å
C4H4sing1.09Å1.10Å
CATHATsing1.09Å1.10Å
CBAHBAsing1.09Å1.10Å
OAYHAYsing0.97Å0.95Å
CAVHAVsing1.09Å1.10Å
CAZHAZsing1.09Å1.10Å
CAZH65sing1.09Å1.10Å
OBCHBCsing0.97Å0.95Å
CAUHAUsing1.09Å1.10Å
OAWHAWsing0.97Å0.95Å
CBBHBBsing1.09Å1.10Å
CBDH66sing1.09Å1.10Å
CBDHBDsing1.09Å1.10Å
CBIHBIsing1.08Å1.08Å
NACHACsing0.97Å1.00Å
NADHADsing0.97Å1.00Å
NADH84sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NADCABNAC125.1°126.1°
NADCABNBO124.8°126.0°
CABNADHAD109.5°120.0°
CABNADH84109.5°120.0°
NACCABNBO110.1°107.9°
CABNACNBN108.6°106.5°
CABNACHAC125.7°126.7°
CABNBOCBP102.8°109.7°
NACNBNCBP108.6°106.9°
NBNNACHAC125.7°126.8°
NBOCBPNBN110.0°109.0°
NBOCBPNBH124.6°125.6°
NBNCBPNBH125.5°125.5°
CBPNBHCBI123.9°126.0°
CBPNBHNBG127.3°125.9°
CBINBHNBG108.9°108.1°
NBHCBICBE104.7°106.0°
NBHCBIHBI127.7°127.0°
NBHNBGNBF111.0°110.2°
C8C7N2115.0°120.0°
C8C7O7120.9°120.0°
C7C8H83109.5°109.5°
C7C8H82109.5°109.5°
C7C8H81109.4°109.4°
CBICBENBF108.2°106.6°
CBICBECBD125.1°126.7°
CBECBIHBI127.7°127.0°
NBGNBFCBE107.3°109.1°
O3C3C2110.0°109.6°
O3C3C4109.6°109.5°
O3C3H31109.9°109.6°
C3O3H32109.5°114.0°
OAWCAUCBB108.7°109.5°
OAWCAUCAV110.1°109.5°
OAWCAUHAU110.3°109.6°
CAUOAWHAW109.5°114.0°
C7N2C2121.4°120.0°
N2C7O7124.1°120.0°
C7N2H22119.3°120.0°
N2C2C3110.3°109.5°
N2C2C1109.7°109.5°
C2N2H22119.3°120.0°
N2C2H21110.2°109.5°
C2C3C4110.0°109.0°
C3C2C1107.5°109.2°
C3C2H21109.5°109.5°
C2C3H31108.7°109.6°
C3C4O4108.6°109.5°
C3C4C5110.5°109.2°
C4C3H31108.6°109.5°
C3C4H4109.2°109.5°
NBFCBECBD126.7°126.7°
CBECBDOAX107.6°109.5°
CBECBDH66110.0°109.4°
CBECBDHBD109.9°109.5°
CBDOAXCBB113.0°114.0°
OAXCBDH66109.9°109.5°
OAXCBDHBD110.0°109.4°
OAXCBBCBA107.5°109.6°
OAXCBBCAU109.3°109.6°
OAXCBBHBB110.8°109.6°
C4O4CAT113.3°114.0°
O4C4C5108.6°109.6°
O4C4H4110.6°109.6°
O4CATCBA107.7°109.5°
O4CATOAS108.8°109.5°
O4CATHAT110.3°109.5°
OAYCBACBB108.9°109.6°
OAYCBACAT109.1°109.5°
OAYCBAHBA109.8°109.5°
CBAOAYHAY109.5°114.1°
CBBCBACAT111.8°109.2°
CBACBBCAU110.1°109.0°
CBBCBAHBA108.7°109.6°
CBACBBHBB109.5°109.5°
CBACATOAS110.5°109.4°
CBACATHAT109.0°109.5°
CATCBAHBA108.6°109.5°
C2C1O1111.4°109.5°
C2C1O5108.4°109.4°
C1C2H21109.6°109.5°
C2C1H1108.0°109.5°
CATOASCAV110.2°114.1°
OASCATHAT110.3°109.5°
OASCAVCAU109.5°109.4°
OASCAVCAZ108.9°109.5°
OASCAVHAV110.3°109.4°
CBBCAUCAV109.2°109.2°
CBBCAUHAU109.3°109.5°
CAUCBBHBB109.6°109.5°
CAUCAVCAZ110.2°109.5°
CAUCAVHAV109.0°109.5°
CAVCAUHAU109.2°109.5°
C4C5O5110.7°109.4°
C4C5C6109.7°109.4°
C4C5H5109.0°109.5°
C5C4H4109.3°109.6°
O1C1O5110.9°109.5°
C1O1CAP114.1°114.0°
O1C1H1108.9°109.5°
C1O5C5110.4°114.1°
O5C1H1109.1°109.5°
CAVCAZOBC109.4°109.5°
CAZCAVHAV108.9°109.5°
CAVCAZHAZ109.5°109.5°
CAVCAZH65109.5°109.5°
OBCCAZHAZ109.5°109.5°
OBCCAZH65109.5°109.4°
CAZOBCHBC109.5°114.0°
O1CAPCAQ110.5°109.5°
O1CAPH63109.2°109.5°
O1CAPHAP109.2°109.4°
O5C5C6108.3°109.5°
O5C5H5110.2°109.5°
C5C6O6109.5°109.4°
C6C5H5108.9°109.5°
C5C6H62109.5°109.5°
C5C6H61109.5°109.5°
CAPCAQCAR119.8°120.0°
CAQCAPH63109.2°109.5°
CAQCAPHAP109.2°109.5°
CAPCAQHAQ120.1°120.0°
O6C6H62109.5°109.5°
O6C6H61109.5°109.5°
C6O6H67109.5°114.0°
CARCAQHAQ120.1°120.1°
CAQCARH64120.0°120.1°
CAQCARHAR120.0°119.9°
H83C8H82109.5°109.6°
H83C8H81109.5°109.5°
H82C8H81109.5°109.4°
H63CAPHAP109.5°109.5°
H64CARHAR120.0°120.0°
H62C6H61109.4°109.5°
HAZCAZH65109.5°109.4°
H66CBDHBD109.4°109.5°
HADNADH84109.4°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NADCABNACNBO179.9°179.9°
NADCABNACNBN179.9°180.0°
NADCABNBOCBP180.0°179.8°
NADCABNACHAC0.1°0.2°
CABNADHADH84120.0°179.9°
CABNACNBNHAC180.0°179.8°
NACCABNBOCBP0.1°0.1°
CABNACNBNCBP0.1°0.2°
NACCABNADHAD179.9°0.1°
NACCABNADH8460.1°180.0°
NBOCABNACNBN0.0°0.1°
CABNBOCBPNBN0.2°0.3°
CABNBOCBPNBH180.0°179.9°
NBOCABNACHAC180.0°179.9°
NBOCABNADHAD0.0°179.9°
NBOCABNADH84120.0°0.1°
NACNBNCBPNBO0.2°0.3°
NACNBNCBPNBH180.0°180.0°
NBOCBPNBNNBH179.8°179.7°
NBOCBPNBHCBI1.8°180.0°
NBOCBPNBHNBG178.1°0.2°
NBNCBPNBHCBI178.4°0.4°
NBNCBPNBHNBG1.6°179.4°
CBPNBNNACHAC179.9°180.0°
CBPNBHCBINBG180.0°179.8°
CBPNBHCBICBE180.0°180.0°
CBPNBHNBGNBF179.9°179.8°
CBPNBHCBIHBI0.1°0.1°
NBHCBICBEHBI180.0°180.0°
CBINBHNBGNBF0.0°0.4°
NBHCBICBENBF0.2°0.0°
NBHCBICBECBD179.7°179.7°
NBGNBHCBICBE0.1°0.2°
NBHNBGNBFCBE0.1°0.4°
NBGNBHCBIHBI179.9°179.7°
C8C7N2O7179.7°180.0°
C8C7N2C2179.5°180.0°
C7C8H83H82120.0°120.0°
C7C8H83H81120.0°119.9°
C7C8H82H81120.0°119.9°
C8C7N2H220.5°0.0°
CBICBENBFNBG0.2°0.2°
CBICBENBFCBD179.6°179.7°
CBICBECBDOAX39.5°0.3°
CBICBECBDH66159.2°119.7°
CBICBECBDHBD80.2°120.3°
NBGNBFCBECBD179.7°180.0°
O3C3C2N262.8°63.2°
O3C3C2C4120.8°119.9°
O3C3C2H31120.4°120.3°
O3C3C4H31120.1°120.2°
O3C3C4O468.1°63.2°
O3C3C2C1177.7°176.8°
O3C3C4C5172.8°176.9°
O3C3C2H2158.7°56.9°
O3C3C4H452.5°57.0°
OAWCAUCBBOAX50.9°57.0°
OAWCAUCBBCBA67.0°62.9°
OAWCAUCAVOAS57.7°62.3°
OAWCAUCBBCAV120.1°119.9°
OAWCAUCBBHAU120.5°120.2°
OAWCAUCAVHAU121.2°120.2°
OAWCAUCAVCAZ62.0°57.7°
OAWCAUCAVHAV178.5°177.8°
OAWCAUCBBHBB172.5°177.2°
C7N2C2H22180.0°180.0°
C7N2C2C3113.9°155.3°
C7N2C2C1127.9°85.0°
N2C7C8H83179.8°180.0°
N2C7C8H8259.7°59.9°
N2C7C8H8160.3°60.0°
C7N2C2H217.1°35.1°
C2N2C7O70.7°0.0°
N2C2C3C1119.5°119.9°
N2C2C3H21121.4°120.2°
N2C2C3C4176.4°176.9°
N2C2C1H21121.1°120.2°
N2C2C1O153.2°62.5°
N2C2C1O5175.6°177.5°
N2C2C3H3157.6°57.0°
N2C2C1H166.3°57.5°
O7C7C8H830.0°0.0°
O7C7C8H82120.0°120.1°
O7C7C8H81120.0°120.0°
O7C7N2H22179.3°180.0°
C2C3C4H31118.9°119.9°
C2C3C4O4170.8°176.9°
C3C2C1H21119.0°119.9°
C2C3C4C551.7°57.0°
C3C2C1O1173.1°177.6°
C3C2C1O564.5°57.6°
C3C2N2H2266.1°24.7°
C2C3O3H32180.0°60.0°
C3C2C1H153.6°62.4°
C2C3C4H468.5°62.9°
C3C4O4C5120.3°119.7°
C3C4O4H4119.8°120.1°
C3C4O4CAT132.5°140.9°
C4C3C2C156.9°57.0°
C3C4C5H4120.2°119.8°
C3C4C5O553.1°57.6°
C3C4C5C6172.6°177.6°
C4C3C2H2162.1°62.9°
C4C3O3H3258.9°179.5°
C3C4C5H568.2°62.4°
NBFCBECBDOAX140.0°179.9°
NBFCBECBDH6620.3°60.0°
NBFCBECBDHBD100.3°60.0°
NBFCBECBIHBI179.8°180.0°
CBECBDOAXH66119.7°120.0°
CBECBDOAXHBD119.7°120.1°
CBECBDOAXCBB179.8°180.0°
CBECBDH66HBD120.9°120.0°
CBDCBECBIHBI0.3°0.3°
CBDOAXCBBCBA153.6°90.0°
CBDOAXCBBCAU86.9°150.5°
CBDOAXCBBHBB34.0°30.2°
OAXCBDH66HBD120.9°119.9°
OAXCBBCBAOAY70.4°63.2°
OAXCBBCBACAU119.0°119.9°
OAXCBBCBAHBB120.5°120.3°
OAXCBBCBACAT168.9°176.8°
OAXCBBCAUHBB121.6°120.3°
OAXCBBCAUCAV171.0°176.9°
OAXCBBCBAHBA49.1°56.9°
OAXCBBCAUHAU69.6°63.3°
CBBOAXCBDH6660.1°60.0°
CBBOAXCBDHBD60.5°59.9°
C4O4CATCBA167.6°171.0°
C4O4CATOAS72.6°69.1°
O4C4C5H4120.8°120.3°
O4C4C5O5172.2°177.5°
O4C4C5C668.3°62.5°
O4C4C3H3151.9°57.0°
O4C4C5H550.9°57.5°
C4O4CATHAT48.6°51.0°
O4CATCBAOAY66.9°62.5°
O4CATCBACBB172.6°177.6°
O4CATCBAOAS118.8°120.0°
O4CATCBAHAT119.7°120.1°
O4CATOASHAT121.2°120.1°
O4CATOASCAV179.9°178.9°
CATO4C4C5107.3°99.5°
CATO4C4H412.7°20.8°
O4CATCBAHBA52.7°57.6°
OAYCBACBBCAT120.6°119.9°
OAYCBACBBHBA119.5°120.1°
OAYCBACATHBA119.6°120.1°
OAYCBACATOAS174.3°177.5°
OAYCBACBBCAU170.6°176.9°
OAYCBACATHAT52.8°57.6°
OAYCBACBBHBB50.0°57.0°
CBBCBACATHBA119.9°120.0°
CBBCBACATOAS53.8°57.6°
CBACBBCAUHBB120.5°119.8°
CBACBBCAUCAV53.2°57.0°
CBBCBACATHAT67.7°62.4°
CBBCBAOAYHAY180.0°180.0°
CBACBBCAUHAU172.6°176.8°
CBACATOASHAT120.7°120.0°
CBACATOASCAV61.8°61.1°
CATCBACBBCAU49.9°57.0°
CATCBAOAYHAY57.7°60.3°
CATCBACBBHBB70.6°62.9°
C2C1O1O5120.9°120.0°
C2C1O1H1119.0°120.0°
C2C1O5H1117.4°120.0°
C2C1O1CAP40.4°175.0°
C2C1O5C567.7°61.2°
C1C2N2H2252.1°95.0°
C1C2C3H3161.9°62.9°
CATOASCAVCAU66.2°61.2°
CATOASCAVCAZ173.3°178.8°
OASCATCBAHBA66.1°62.4°
CATOASCAVHAV53.8°58.8°
OASCAVCAUCBB61.6°57.6°
OASCAVCAUCAZ119.7°120.0°
OASCAVCAUHAV120.8°120.0°
OASCAVCAZHAV120.3°120.0°
OASCAVCAZOBC69.7°65.0°
CAVOASCATHAT58.9°58.8°
OASCAVCAZHAZ170.4°175.0°
OASCAVCAZH6550.3°55.0°
OASCAVCAUHAU179.0°177.5°
CBBCAUCAVHAU119.5°119.9°
CBBCAUCAVCAZ178.7°177.6°
CAUCBBCBAHBA69.9°63.0°
CBBCAUCAVHAV59.2°62.3°
CBBCAUOAWHAW180.0°179.9°
CAUCAVCAZHAV119.6°120.0°
CAUCAVCAZOBC170.2°175.1°
CAUCAVCAZHAZ50.2°55.0°
CAUCAVCAZH6569.8°65.0°
CAVCAUOAWHAW60.5°60.3°
CAVCAUCBBHBB67.4°62.9°
C4C5O5C161.6°61.2°
C4C5O5C6120.3°119.9°
C4C5O5H5120.6°120.0°
C4C5C6H5119.2°120.0°
C4C5C6O6169.6°175.1°
C5C4C3H3167.2°62.9°
C4C5C6H6270.4°55.1°
C4C5C6H6149.5°64.9°
O1C1O5H1120.0°120.0°
O1C1O5C5169.6°178.8°
C1O1CAPCAQ48.2°180.0°
O1C1C2H2167.9°57.7°
C1O1CAPH6372.0°60.0°
C1O1CAPHAP168.3°60.0°
O5C1O1CAP80.5°65.1°
C1O5C5C6178.1°178.9°
O5C1C2H2154.5°62.3°
C1O5C5H559.0°58.8°
CAVCAZOBCHAZ120.0°120.1°
CAVCAZOBCH65120.0°120.0°
CAVCAZHAZH65120.1°120.0°
CAVCAZOBCHBC180.0°180.0°
CAZCAVCAUHAU59.2°62.5°
OBCCAZCAVHAV50.6°55.0°
OBCCAZHAZH65120.1°119.9°
O1CAPCAQH63120.2°120.0°
O1CAPCAQHAP120.2°119.9°
O1CAPCAQCAR146.4°135.0°
CAPO1C1H1159.4°55.0°
O1CAPH63HAP119.5°120.0°
O1CAPCAQHAQ33.6°45.0°
O5C5C6H5119.9°120.1°
O5C5C6O648.6°65.0°
C5O5C1H149.6°58.8°
O5C5C6H62168.6°175.0°
O5C5C6H6171.4°55.0°
O5C5C4H467.1°62.2°
C5C6O6H62120.0°120.0°
C5C6O6H61120.0°120.0°
C5C6H62H61120.0°120.0°
C5C6O6H67180.0°180.0°
C6C5C4H452.4°57.7°
CAPCAQCARHAQ180.0°179.9°
CAQCAPH63HAP119.5°120.0°
CAPCAQCARH64180.0°0.0°
CAPCAQCARHAR0.0°180.0°
O6C6C5H571.2°55.1°
O6C6H62H61120.0°120.0°
CARCAQCAPH6326.2°15.0°
CARCAQCAPHAP93.5°105.0°
CAQCARH64HAR180.0°180.0°
H83C8H82H81120.0°120.0°
H22N2C2H21172.9°144.8°
H21C2C3H31179.0°177.2°
H21C2C1H1172.5°177.7°
H31C3O3H3260.4°60.3°
H31C3C4H4172.6°177.2°
H63CAPCAQHAQ153.8°165.0°
HAPCAPCAQHAQ86.5°74.9°
HAQCAQCARH640.0°180.0°
HAQCAQCARHAR180.0°0.0°
H5C5C6H6248.8°64.9°
H5C5C6H61168.7°175.1°
H5C5C4H4171.6°177.7°
H62C6O6H6760.0°60.0°
H61C6O6H6760.0°60.0°
HATCATCBAHBA172.4°177.6°
HBACBAOAYHAY61.2°59.8°
HBACBACBBHBB169.6°177.2°
HAVCAVCAZHAZ69.3°65.0°
HAVCAVCAZH65170.6°175.0°
HAVCAVCAUHAU60.3°57.5°
HAZCAZOBCHBC60.0°60.0°
H65CAZOBCHBC60.0°60.0°
HAUCAUOAWHAW60.1°59.8°
HAUCAUCBBHBB52.1°57.0°

223532

PDB entries from 2024-08-07

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