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4YY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NATCANdoub1.29Å1.34ÅAromatic
NATCBAsing1.31Å1.35ÅAromatic
CANSAWsing1.71Å1.66ÅAromatic
CAACBAsing1.51Å1.53Å
CBACBDdoub1.35Å1.35ÅAromatic
SAWCBDsing1.76Å1.70ÅAromatic
CBDCBCsing1.48Å1.35Å
CBCCALdoub1.40Å1.40ÅAromatic
CBCCAMsing1.40Å1.39ÅAromatic
CALCAJsing1.38Å1.40ÅAromatic
CAMCAKdoub1.38Å1.41ÅAromatic
CAJCBBdoub1.38Å1.39ÅAromatic
CAKCBBsing1.38Å1.40ÅAromatic
CBBCAQsing1.51Å1.44Å
CAQNAUsing1.47Å1.48Å
NAUCsing1.35Å1.35Å
CBCAsing1.54Å1.54Å
CBCGsing1.55Å1.51Å
COdoub1.21Å1.22Å
CCAsing1.51Å1.41Å
CANsing1.47Å1.52Å
CGOD1sing1.43Å1.44Å
CGCD2sing1.55Å1.53Å
NCD2sing1.47Å1.50Å
NCAZsing1.35Å1.36Å
OAGCAZdoub1.21Å1.22Å
CAZCBGsing1.51Å1.55Å
CABCBIsing1.53Å1.53Å
CBGCBIsing1.53Å1.55Å
CBGNAVsing1.47Å1.48Å
CACCBIsing1.53Å1.56Å
CBICADsing1.53Å1.53Å
NAVCAYsing1.35Å1.34Å
CAYOAFdoub1.21Å1.22Å
CAYCBJsing1.51Å1.54Å
FAICBJsing1.40Å1.28Å
CBJCAPsing1.53Å1.51Å
CBJCAOsing1.53Å1.53Å
CAPCAOsing1.53Å1.52Å
CAOH1sing1.09Å1.10Å
CAOH2sing1.09Å1.10Å
CAPH3sing1.09Å1.10Å
CAPH4sing1.09Å1.10Å
NAVH5sing0.97Å1.00Å
CBGH6sing1.09Å1.10Å
CADH7sing1.09Å1.10Å
CADH8sing1.09Å1.10Å
CADH9sing1.09Å1.10Å
CABH10sing1.09Å1.10Å
CABH11sing1.09Å1.10Å
CABH12sing1.09Å1.10Å
CACH13sing1.09Å1.10Å
CACH14sing1.09Å1.10Å
CACH15sing1.09Å1.10Å
CD2H16sing1.09Å1.10Å
CD2H17sing1.09Å1.10Å
CGH18sing1.09Å1.10Å
OD1H19sing0.97Å0.95Å
CBH20sing1.09Å1.10Å
CBH21sing1.09Å1.10Å
CAH22sing1.09Å1.10Å
NAUH23sing0.97Å1.00Å
CAQH24sing1.09Å1.10Å
CAQH25sing1.09Å1.10Å
CAJH26sing1.08Å1.08Å
CALH27sing1.08Å1.08Å
CAKH28sing1.08Å1.08Å
CAMH29sing1.08Å1.08Å
CANH30sing1.08Å1.08Å
CAAH31sing1.09Å1.10Å
CAAH32sing1.09Å1.10Å
CAAH33sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANNATCBA114.9°117.3°
NATCANSAW108.2°110.4°
NATCANH30125.9°124.8°
NATCBACAA118.8°122.9°
NATCBACBD115.3°114.2°
CANSAWCBD95.4°90.3°
SAWCANH30125.9°124.8°
CAACBACBD125.9°122.9°
CBACAAH31109.5°109.4°
CBACAAH32109.5°109.4°
CBACAAH33109.4°109.5°
CBACBDSAW106.2°107.8°
CBACBDCBC128.4°126.1°
SAWCBDCBC125.4°126.1°
CBDCBCCAL122.4°120.2°
CBDCBCCAM120.1°120.1°
CALCBCCAM117.5°119.7°
CBCCALCAJ121.6°119.9°
CBCCALH27119.2°120.0°
CBCCAMCAK120.8°119.8°
CBCCAMH29119.6°120.1°
CALCAJCBB121.2°120.1°
CALCAJH26119.4°120.0°
CAJCALH27119.2°120.1°
CAMCAKCBB121.5°120.2°
CAMCAKH28119.2°119.9°
CAKCAMH29119.6°120.1°
CAJCBBCAK117.4°120.2°
CAJCBBCAQ119.4°119.9°
CBBCAJH26119.4°119.9°
CAKCBBCAQ123.2°119.9°
CBBCAKH28119.3°119.9°
CBBCAQNAU112.3°109.5°
CBBCAQH24108.8°109.5°
CBBCAQH25108.7°109.5°
CAQNAUC123.5°120.0°
CAQNAUH23118.2°120.0°
NAUCAQH24108.7°109.5°
NAUCAQH25108.7°109.5°
NAUCO123.4°120.0°
NAUCCA116.4°120.0°
CNAUH23118.2°120.0°
CACBCG105.1°103.0°
CBCAC107.6°109.9°
CBCAN104.6°107.2°
CACBH20110.6°110.7°
CACBH21110.5°110.7°
CBCAH22109.6°109.9°
CBCGOD1109.1°111.0°
CBCGCD2103.4°101.6°
CBCGH18110.8°111.0°
CGCBH20110.6°111.0°
CGCBH21110.5°110.4°
OCCA120.1°120.0°
CCAN113.6°110.2°
CCAH22111.4°110.0°
CANCD2108.4°108.7°
CANCAZ120.7°125.6°
NCAH22109.7°109.5°
OD1CGCD2111.0°111.0°
OD1CGH18111.9°110.9°
CGOD1H19109.5°114.0°
CGCD2N104.4°104.8°
CGCD2H16110.7°110.4°
CGCD2H17110.7°110.5°
CD2CGH18110.4°111.0°
CD2NCAZ130.8°125.7°
NCD2H16110.7°110.3°
NCD2H17110.7°110.4°
NCAZOAG121.8°120.0°
NCAZCBG118.7°120.0°
OAGCAZCBG119.4°120.0°
CAZCBGCBI113.2°109.5°
CAZCBGNAV106.8°109.5°
CAZCBGH6108.5°109.5°
CABCBICBG110.0°109.5°
CABCBICAC108.6°109.5°
CABCBICAD109.5°109.5°
CBICABH10109.5°109.5°
CBICABH11109.4°109.5°
CBICABH12109.5°109.5°
CBICBGNAV110.4°109.5°
CBGCBICAC112.8°109.5°
CBGCBICAD107.2°109.5°
CBICBGH6108.5°109.5°
CBGNAVCAY125.4°120.0°
CBGNAVH5117.3°120.0°
NAVCBGH6109.4°109.4°
CACCBICAD108.6°109.4°
CBICACH13109.5°109.5°
CBICACH14109.5°109.5°
CBICACH15109.5°109.4°
CBICADH7109.5°109.5°
CBICADH8109.4°109.5°
CBICADH9109.5°109.4°
NAVCAYOAF125.7°120.0°
NAVCAYCBJ113.8°120.0°
CAYNAVH5117.3°120.0°
OAFCAYCBJ120.3°120.0°
CAYCBJFAI115.5°115.5°
CAYCBJCAP119.6°117.5°
CAYCBJCAO117.6°117.6°
FAICBJCAP116.6°117.5°
FAICBJCAO116.2°117.5°
CAPCBJCAO60.1°60.0°
CBJCAPCAO60.4°60.0°
CBJCAPH3119.9°117.5°
CBJCAPH4119.9°117.5°
CBJCAOCAP59.5°60.0°
CBJCAOH1120.1°117.5°
CBJCAOH2120.1°117.5°
CAPCAOH1120.1°117.5°
CAPCAOH2120.1°117.5°
CAOCAPH3119.9°117.5°
CAOCAPH4119.9°117.5°
H1CAOH2109.5°115.6°
H3CAPH4109.5°115.5°
H7CADH8109.5°109.5°
H7CADH9109.5°109.4°
H8CADH9109.5°109.5°
H10CABH11109.5°109.5°
H10CABH12109.5°109.5°
H11CABH12109.4°109.4°
H13CACH14109.5°109.5°
H13CACH15109.5°109.5°
H14CACH15109.5°109.4°
H16CD2H17109.4°110.3°
H20CBH21109.5°110.8°
H24CAQH25109.5°109.4°
H31CAAH32109.5°109.5°
H31CAAH33109.5°109.5°
H32CAAH33109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NATCANSAWH30180.0°180.0°
CANNATCBACAA179.2°180.0°
CANNATCBACBD0.2°0.6°
NATCANSAWCBD0.2°0.0°
CBANATCANSAW0.1°0.3°
NATCBACAACBD178.9°179.4°
NATCBACBDSAW0.3°0.5°
NATCBACBDCBC179.8°179.8°
CBANATCANH30179.9°179.7°
NATCBACAAH310.0°95.3°
NATCBACAAH32120.0°144.7°
NATCBACAAH33120.0°24.7°
CANSAWCBDCBA0.3°0.3°
CANSAWCBDCBC179.8°180.0°
CAACBACBDSAW179.2°179.9°
CAACBACBDCBC1.2°0.4°
CBACAAH31H32120.0°119.9°
CBACAAH31H33120.0°120.0°
CBACAAH32H33120.0°120.0°
CBACBDSAWCBC179.6°179.7°
CBACBDCBCCAL41.9°133.3°
CBACBDCBCCAM138.6°46.9°
CBDCBACAAH31178.9°85.3°
CBDCBACAAH3258.9°34.6°
CBDCBACAAH3361.1°154.7°
SAWCBDCBCCAL138.6°47.1°
SAWCBDCBCCAM40.9°132.7°
CBDSAWCANH30179.8°180.0°
CBDCBCCALCAM179.5°179.8°
CBDCBCCALCAJ179.8°180.0°
CBDCBCCAMCAK179.9°179.9°
CBDCBCCALH270.2°0.1°
CBDCBCCAMH290.1°0.1°
CBCCALCAJH27180.0°179.9°
CALCBCCAMCAK0.6°0.3°
CBCCALCAJCBB0.5°0.1°
CBCCALCAJH26179.5°179.9°
CALCBCCAMH29179.4°179.8°
CAMCBCCALCAJ0.7°0.2°
CBCCAMCAKH29180.0°180.0°
CBCCAMCAKCBB0.4°0.0°
CAMCBCCALH27179.3°179.7°
CBCCAMCAKH28179.7°180.0°
CALCAJCBBH26180.0°180.0°
CALCAJCBBCAK0.2°0.3°
CALCAJCBBCAQ179.4°180.0°
CAMCAKCBBCAJ0.1°0.2°
CAMCAKCBBH28180.0°180.0°
CAMCAKCBBCAQ179.3°180.0°
CAJCBBCAKCAQ179.2°179.7°
CAJCBBCAQNAU163.3°90.0°
CAJCBBCAQH2476.3°30.0°
CAJCBBCAQH2542.9°150.0°
CBBCAJCALH27179.5°180.0°
CAJCBBCAKH28179.9°179.7°
CAKCBBCAQNAU17.5°90.3°
CAKCBBCAQH24102.9°149.7°
CAKCBBCAQH25137.9°29.8°
CAKCBBCAJH26179.8°179.7°
CBBCAKCAMH29179.7°180.0°
CBBCAQNAUH24120.4°120.0°
CBBCAQNAUH25120.4°120.0°
CBBCAQNAUC93.2°180.0°
CBBCAQNAUH2386.8°0.0°
CBBCAQH24H25118.7°120.0°
CAQCBBCAJH260.6°0.0°
CAQCBBCAKH280.7°0.0°
CAQNAUCH23180.0°180.0°
CAQNAUCO0.2°0.1°
CAQNAUCCA175.7°180.0°
NAUCAQH24H25118.7°120.0°
NAUCCACB94.8°61.4°
NAUCOCA175.8°179.9°
NAUCCAN149.9°179.4°
NAUCCAH2225.3°59.7°
CNAUCAQH24146.4°60.0°
CNAUCAQH2527.2°59.9°
CACBCGH20119.3°118.5°
CACBCGH21119.3°118.2°
CBCACO81.3°118.5°
CBCACN115.3°118.0°
CBCACH22120.1°121.1°
CBCANH22117.5°119.2°
CACBCGOD181.6°82.8°
CACBCGCD236.6°35.4°
CBCANCD21.3°1.4°
CBCANCAZ179.6°178.9°
CACBCGH18154.9°153.4°
CACBH20H21122.0°123.2°
CGCBCAC144.7°141.6°
CGCBCAN23.6°21.9°
CBCGOD1CD2113.3°112.2°
CBCGOD1H18122.9°123.9°
CBCGCD2H18118.5°118.1°
CBCGCD2N35.5°37.1°
CBCGCD2H1683.7°155.9°
CBCGCD2H17154.8°81.8°
CBCGOD1H19180.0°173.6°
CGCBH20H21122.0°123.1°
CGCBCAH2293.9°97.1°
OCCAN34.0°0.5°
OCCAH22158.6°120.4°
OCNAUH23179.8°180.0°
CCANH22125.5°121.2°
CCANCD2118.4°118.1°
CCANCAZ62.6°61.5°
CCACBH2025.4°99.7°
CCACBH2196.0°23.6°
CACNAUH234.3°0.0°
CANCD2CG21.1°24.4°
CANCD2CAZ178.9°179.7°
CANCAZOAG1.3°4.8°
CANCAZCBG177.8°175.3°
CANCD2H1698.1°143.2°
CANCD2H17140.3°94.6°
NCACBH2095.7°140.5°
NCACBH21142.9°96.2°
OD1CGCD2H18124.7°123.8°
OD1CGCD2N81.3°81.1°
OD1CGCD2H16159.5°37.7°
OD1CGCD2H1737.9°160.0°
OD1CGCBH20159.1°35.7°
OD1CGCBH2137.7°159.0°
CGCD2NH16119.2°118.8°
CGCD2NH17119.2°119.0°
CGCD2NCAZ157.8°155.9°
CGCD2H16H17122.3°122.4°
CD2CGOD1H1966.8°61.4°
CD2CGCBH2082.7°153.8°
CD2CGCBH21155.9°82.9°
CD2NCAZOAG177.5°175.6°
CD2NCAZCBG1.0°4.4°
NCD2H16H17122.3°122.2°
NCD2CGH18154.0°155.1°
CD2NCAH22116.1°120.7°
NCAZOAGCBG176.5°179.9°
NCAZCBGCBI101.2°90.7°
NCAZCBGNAV137.1°149.3°
NCAZCBGH619.2°29.3°
CAZNCD2H1683.0°37.1°
CAZNCD2H1738.6°85.1°
CAZNCAH2262.9°59.6°
OAGCAZCBGCBI82.2°89.3°
OAGCAZCBGNAV39.5°30.6°
OAGCAZCBGH6157.3°150.6°
CAZCBGCBICAB56.1°55.7°
CAZCBGCBINAV119.6°120.0°
CAZCBGCBIH6120.5°120.0°
CAZCBGNAVH6117.3°120.0°
CAZCBGCBICAC65.4°175.7°
CAZCBGCBICAD175.1°64.3°
CAZCBGNAVCAY109.0°155.0°
CAZCBGNAVH571.0°25.0°
CABCBICBGCAC121.5°120.0°
CABCBICBGCAD119.0°120.0°
CABCBICBGNAV175.7°175.7°
CABCBICACCAD119.0°120.0°
CABCBICBGH664.4°64.4°
CABCBICADH7180.0°60.0°
CABCBICADH860.0°60.0°
CABCBICADH960.0°180.0°
CBICABH10H11120.0°120.0°
CBICABH10H12120.0°120.0°
CBICABH11H12120.0°119.9°
CABCBICACH13180.0°180.0°
CABCBICACH1460.0°60.0°
CABCBICACH1560.0°60.0°
CBICBGNAVH6119.3°120.0°
CBGCBICACCAD118.7°120.0°
CBICBGNAVCAY127.6°85.0°
CBICBGNAVH552.4°95.0°
CBGCBICADH760.7°59.9°
CBGCBICADH8179.3°180.0°
CBGCBICADH959.3°60.0°
CBGCBICABH10180.0°63.8°
CBGCBICABH1160.0°176.2°
CBGCBICABH1260.0°56.3°
CBGCBICACH1357.8°60.0°
CBGCBICACH1462.2°180.0°
CBGCBICACH15177.8°60.0°
NAVCBGCBICAC54.3°64.3°
NAVCBGCBICAD65.3°55.7°
CBGNAVCAYH5180.0°180.0°
CBGNAVCAYOAF4.2°0.0°
CBGNAVCAYCBJ179.5°180.0°
CACCBICBGH6174.2°55.6°
CACCBICADH761.5°180.0°
CACCBICADH858.5°60.0°
CACCBICADH9178.5°60.0°
CACCBICABH1056.1°56.2°
CACCBICABH1164.0°63.8°
CACCBICABH12176.1°176.3°
CBICACH13H14120.0°120.0°
CBICACH13H15120.0°120.0°
CBICACH14H15120.0°119.9°
CADCBICBGH654.6°175.6°
CBICADH7H8120.0°120.0°
CBICADH7H9120.0°120.0°
CBICADH8H9120.0°120.0°
CADCBICABH1062.4°176.2°
CADCBICABH11177.6°56.2°
CADCBICABH1257.6°63.7°
CADCBICACH1361.0°60.0°
CADCBICACH14179.1°60.0°
CADCBICACH1559.0°179.9°
NAVCAYOAFCBJ175.0°180.0°
NAVCAYCBJFAI0.4°24.4°
NAVCAYCBJCAP146.8°170.0°
NAVCAYCBJCAO143.7°121.4°
CAYNAVCBGH68.2°35.0°
OAFCAYCBJFAI175.2°155.7°
OAFCAYCBJCAP37.6°10.0°
OAFCAYCBJCAO31.9°58.6°
OAFCAYNAVH5175.8°180.0°
CAYCBJFAICAP148.2°145.7°
CAYCBJFAICAO143.8°145.7°
CAYCBJCAPCAO106.8°107.5°
CAYCBJCAOH1140.7°0.0°
CAYCBJCAOH20.6°145.0°
CAYCBJCAPH32.8°144.9°
CAYCBJCAPH4143.6°0.0°
CBJCAYNAVH50.5°0.1°
FAICBJCAPCAO106.4°107.5°
FAICBJCAOH12.3°145.0°
FAICBJCAOH2143.6°0.0°
FAICBJCAPH3144.0°0.0°
FAICBJCAPH43.2°145.0°
CBJCAPCAOH3109.6°107.4°
CBJCAPCAOH4109.5°107.5°
CAPCBJCAOH1109.4°107.5°
CAPCBJCAOH2109.3°107.5°
CBJCAPH3H4144.5°145.6°
CBJCAOH1H2145.0°145.7°
CAPCAOH1H2145.0°145.7°
CAOCAPH3H4144.6°145.8°
H1CAOCAPH3141.1°145.1°
H1CAOCAPH40.2°0.0°
H2CAOCAPH30.2°0.1°
H2CAOCAPH4141.1°145.0°
H5NAVCBGH6171.7°145.0°
H7CADH8H9120.0°120.0°
H10CABH11H12120.0°120.0°
H13CACH14H15120.0°120.0°
H16CD2CGH1834.8°86.1°
H17CD2CGH1886.7°36.2°
H18CGOD1H1957.1°62.5°
H18CGCBH2035.6°88.1°
H18CGCBH2185.8°35.2°
H20CBCAH22146.7°21.5°
H21CBCAH2225.4°144.8°
H23NAUCAQH2433.6°120.0°
H23NAUCAQH25152.8°120.0°
H26CAJCALH270.5°0.0°
H28CAKCAMH290.3°0.0°
H31CAAH32H33120.0°120.1°

222415

PDB entries from 2024-07-10

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