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3JF

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NARCANdoub1.29Å1.34ÅAromatic
NARCAZsing1.31Å1.34ÅAromatic
CANSAUsing1.71Å1.66ÅAromatic
CABCAZsing1.51Å1.53Å
CAZCBBdoub1.35Å1.35ÅAromatic
SAUCBBsing1.76Å1.69ÅAromatic
CBBCBAsing1.48Å1.35Å
CBACALdoub1.40Å1.40ÅAromatic
CBACAMsing1.40Å1.40ÅAromatic
CALCAJsing1.38Å1.39ÅAromatic
CAMCAKdoub1.38Å1.41ÅAromatic
CAJCAYdoub1.38Å1.40ÅAromatic
CAKCAYsing1.38Å1.40ÅAromatic
CAYCAOsing1.51Å1.43Å
CAONASsing1.47Å1.47Å
NASCsing1.35Å1.36Å
CBCAsing1.54Å1.54Å
CBCGsing1.55Å1.50Å
COdoub1.21Å1.23Å
CCAsing1.51Å1.41Å
CANsing1.47Å1.53Å
CGOD1sing1.43Å1.44Å
CGCD2sing1.55Å1.53Å
NCD2sing1.47Å1.50Å
NCAXsing1.35Å1.35Å
OAHCAXdoub1.21Å1.23Å
CAXCBEsing1.51Å1.56Å
CAECBGsing1.53Å1.54Å
CBECBGsing1.53Å1.55Å
CBENATsing1.47Å1.48Å
CACCBGsing1.53Å1.55Å
CBGCADsing1.53Å1.53Å
NATCAVsing1.35Å1.35Å
CAVOAFdoub1.21Å1.22Å
CAVCAAsing1.51Å1.54Å
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
NATH4sing0.97Å1.00Å
CBEH5sing1.09Å1.10Å
CADH6sing1.09Å1.10Å
CADH7sing1.09Å1.10Å
CADH8sing1.09Å1.10Å
CAEH9sing1.09Å1.10Å
CAEH10sing1.09Å1.10Å
CAEH11sing1.09Å1.10Å
CACH12sing1.09Å1.10Å
CACH13sing1.09Å1.10Å
CACH14sing1.09Å1.10Å
CD2H15sing1.09Å1.10Å
CD2H16sing1.09Å1.10Å
CGH17sing1.09Å1.10Å
OD1H18sing0.97Å0.95Å
CBH19sing1.09Å1.10Å
CBH20sing1.09Å1.10Å
CAH21sing1.09Å1.10Å
NASH22sing0.97Å1.00Å
CAOH23sing1.09Å1.10Å
CAOH24sing1.09Å1.10Å
CAKH25sing1.08Å1.08Å
CAMH26sing1.08Å1.08Å
CAJH27sing1.08Å1.08Å
CALH28sing1.08Å1.08Å
CANH29sing1.08Å1.08Å
CABH30sing1.09Å1.10Å
CABH31sing1.09Å1.10Å
CABH32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANNARCAZ114.9°117.3°
NARCANSAU108.0°110.3°
NARCANH29126.0°124.9°
NARCAZCAB118.9°122.9°
NARCAZCBB115.4°114.2°
CANSAUCBB95.5°90.3°
SAUCANH29126.0°124.8°
CABCAZCBB125.7°122.9°
CAZCABH30109.5°109.5°
CAZCABH31109.5°109.5°
CAZCABH32109.5°109.6°
CAZCBBSAU106.3°107.8°
CAZCBBCBA126.5°126.1°
SAUCBBCBA127.3°126.1°
CBBCBACAL121.6°120.1°
CBBCBACAM121.1°120.2°
CALCBACAM117.2°119.7°
CBACALCAJ121.3°119.9°
CBACALH28119.3°120.1°
CBACAMCAK121.4°119.8°
CBACAMH26119.3°120.1°
CALCAJCAY121.6°120.1°
CALCAJH27119.2°119.9°
CAJCALH28119.3°120.1°
CAMCAKCAY121.1°120.2°
CAMCAKH25119.5°119.9°
CAKCAMH26119.3°120.1°
CAJCAYCAK117.3°120.3°
CAJCAYCAO118.4°119.8°
CAYCAJH27119.2°119.9°
CAKCAYCAO124.2°119.9°
CAYCAKH25119.5°119.9°
CAYCAONAS110.1°109.5°
CAYCAOH23109.3°109.4°
CAYCAOH24109.3°109.5°
CAONASC121.0°120.0°
CAONASH22119.5°120.0°
NASCAOH23109.3°109.5°
NASCAOH24109.3°109.5°
NASCO122.6°120.0°
NASCCA117.3°120.0°
CNASH22119.5°120.0°
CACBCG106.4°103.0°
CBCAC108.3°109.8°
CBCAN104.6°107.3°
CACBH19110.2°110.7°
CACBH20110.3°110.7°
CBCAH21108.9°109.8°
CBCGOD1108.6°111.0°
CBCGCD2103.8°101.6°
CBCGH17110.6°111.1°
CGCBH19110.2°110.9°
CGCBH20110.2°110.5°
OCCA119.8°120.0°
CCAN115.1°110.2°
CCAH21110.6°110.0°
CANCD2108.3°108.7°
CANCAX119.2°125.6°
NCAH21109.0°109.6°
OD1CGCD2112.1°111.0°
OD1CGH17111.5°110.9°
CGOD1H18109.5°114.0°
CGCD2N104.5°104.8°
CGCD2H15110.7°110.4°
CGCD2H16110.7°110.5°
CD2CGH17110.0°111.0°
CD2NCAX132.5°125.7°
NCD2H15110.7°110.4°
NCD2H16110.7°110.3°
NCAXOAH121.1°120.0°
NCAXCBE119.6°120.0°
OAHCAXCBE119.3°120.0°
CAXCBECBG113.5°109.5°
CAXCBENAT104.7°109.4°
CAXCBEH5108.6°109.4°
CAECBGCBE109.8°109.5°
CAECBGCAC109.8°109.5°
CAECBGCAD108.3°109.5°
CBGCAEH9109.5°109.5°
CBGCAEH10109.5°109.5°
CBGCAEH11109.5°109.5°
CBGCBENAT111.5°109.5°
CBECBGCAC112.6°109.5°
CBECBGCAD109.5°109.5°
CBGCBEH5108.7°109.5°
CBENATCAV124.1°120.0°
CBENATH4118.0°120.0°
NATCBEH5109.7°109.4°
CACCBGCAD106.8°109.5°
CBGCACH12109.5°109.5°
CBGCACH13109.5°109.5°
CBGCACH14109.5°109.5°
CBGCADH6109.5°109.5°
CBGCADH7109.4°109.5°
CBGCADH8109.5°109.4°
NATCAVOAF125.1°120.0°
NATCAVCAA115.5°120.0°
CAVNATH4118.0°120.0°
OAFCAVCAA119.3°120.0°
CAVCAAH1109.5°109.5°
CAVCAAH2109.5°109.5°
CAVCAAH3109.4°109.4°
H1CAAH2109.5°109.5°
H1CAAH3109.5°109.4°
H2CAAH3109.5°109.5°
H6CADH7109.5°109.5°
H6CADH8109.4°109.4°
H7CADH8109.5°109.5°
H9CAEH10109.4°109.5°
H9CAEH11109.5°109.5°
H10CAEH11109.5°109.5°
H12CACH13109.5°109.4°
H12CACH14109.5°109.5°
H13CACH14109.5°109.5°
H15CD2H16109.5°110.4°
H19CBH20109.5°110.8°
H23CAOH24109.5°109.5°
H30CABH31109.5°109.4°
H30CABH32109.5°109.4°
H31CABH32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NARCANSAUH29180.0°180.0°
CANNARCAZCAB179.4°180.0°
CANNARCAZCBB0.2°0.4°
NARCANSAUCBB0.3°0.0°
CAZNARCANSAU0.1°0.2°
NARCAZCABCBB179.1°179.6°
NARCAZCBBSAU0.4°0.4°
NARCAZCBBCBA180.0°179.9°
CAZNARCANH29179.9°179.8°
NARCAZCABH300.0°95.3°
NARCAZCABH31120.0°144.8°
NARCAZCABH32120.0°24.7°
CANSAUCBBCAZ0.4°0.2°
CANSAUCBBCBA180.0°180.0°
CABCAZCBBSAU179.6°180.0°
CABCAZCBBCBA0.9°0.3°
CAZCABH30H31120.0°120.0°
CAZCABH30H32120.0°120.1°
CAZCABH31H32120.0°120.1°
CAZCBBSAUCBA179.6°179.8°
CAZCBBCBACAL46.0°46.8°
CAZCBBCBACAM133.5°133.5°
CBBCAZCABH30179.1°85.1°
CBBCAZCABH3159.1°34.8°
CBBCAZCABH3260.9°154.8°
SAUCBBCBACAL134.5°132.9°
SAUCBBCBACAM46.0°46.8°
CBBSAUCANH29179.8°180.0°
CBBCBACALCAM179.5°179.7°
CBBCBACALCAJ179.3°180.0°
CBBCBACAMCAK179.2°180.0°
CBBCBACAMH260.8°0.0°
CBBCBACALH280.7°0.0°
CBACALCAJH28180.0°180.0°
CALCBACAMCAK0.4°0.3°
CBACALCAJCAY0.1°0.1°
CALCBACAMH26179.6°179.7°
CBACALCAJH27179.9°180.0°
CAMCBACALCAJ0.2°0.3°
CBACAMCAKH26180.0°180.0°
CBACAMCAKCAY0.2°0.0°
CBACAMCAKH25179.8°179.9°
CAMCBACALH28179.8°179.7°
CALCAJCAYH27180.0°180.0°
CALCAJCAYCAK0.3°0.2°
CALCAJCAYCAO179.7°180.0°
CAMCAKCAYCAJ0.2°0.3°
CAMCAKCAYH25180.0°179.9°
CAMCAKCAYCAO179.6°180.0°
CAJCAYCAKCAO179.4°179.8°
CAJCAYCAONAS163.7°90.2°
CAJCAYCAOH2376.2°149.8°
CAJCAYCAOH2443.6°29.8°
CAJCAYCAKH25179.9°179.8°
CAYCAJCALH28179.9°180.0°
CAKCAYCAONAS15.7°90.0°
CAKCAYCAOH23104.4°30.0°
CAKCAYCAOH24135.8°150.0°
CAYCAKCAMH26179.8°180.0°
CAKCAYCAJH27179.7°179.7°
CAYCAONASH23120.1°119.9°
CAYCAONASH24120.1°120.0°
CAYCAONASC99.5°180.0°
CAYCAONASH2280.5°0.0°
CAYCAOH23H24119.7°120.0°
CAOCAYCAKH250.5°0.1°
CAOCAYCAJH270.2°0.0°
CAONASCH22180.0°179.9°
CAONASCO2.0°0.1°
CAONASCCA176.5°180.0°
NASCAOH23H24119.7°120.1°
NASCCACB90.2°61.5°
NASCOCA174.4°179.9°
NASCCAN153.2°179.4°
NASCCAH2129.1°59.5°
CNASCAOH23140.4°60.0°
CNASCAOH2420.6°60.0°
CACBCGH19119.5°118.5°
CACBCGH20119.5°118.3°
CBCACO84.5°118.6°
CBCACN116.6°117.9°
CBCACH21119.3°121.0°
CBCANH21116.3°119.2°
CACBCGOD185.7°82.7°
CACBCGCD233.8°35.3°
CBCANCD21.8°1.4°
CBCANCAX175.5°178.9°
CACBCGH17151.7°153.4°
CACBH19H20121.5°123.2°
CGCBCAC143.3°141.6°
CGCBCAN20.1°21.9°
CBCGOD1CD2114.1°112.2°
CBCGOD1H17122.0°124.0°
CBCGCD2H17118.3°118.1°
CBCGCD2N34.4°37.1°
CBCGCD2H1584.8°155.9°
CBCGCD2H16153.6°81.8°
CBCGOD1H18180.0°173.7°
CGCBH19H20121.4°123.0°
CGCBCAH2196.3°97.2°
OCCAN32.1°0.6°
OCCAH21156.2°120.4°
OCNASH22178.0°180.0°
CCANH21124.9°121.2°
CCANCD2117.0°118.1°
CCANCAX65.8°61.6°
CCACBH1923.8°99.7°
CCACBH2097.2°23.6°
CACNASH223.5°0.1°
CANCD2CG22.2°24.4°
CANCD2CAX176.7°179.7°
CANCAXOAH1.0°4.7°
CANCAXCBE177.0°175.2°
CANCD2H1597.0°143.2°
CANCD2H16141.4°94.6°
NCACBH1999.4°140.5°
NCACBH20139.6°96.2°
OD1CGCD2H17124.6°123.8°
OD1CGCD2N82.6°81.0°
OD1CGCD2H15158.2°37.8°
OD1CGCD2H1636.6°160.1°
OD1CGCBH19154.8°35.8°
OD1CGCBH2033.8°159.0°
CGCD2NH15119.2°118.8°
CGCD2NH16119.2°118.9°
CGCD2NCAX154.5°155.9°
CGCD2H15H16122.3°122.4°
CD2CGOD1H1865.9°61.5°
CD2CGCBH1985.7°153.8°
CD2CGCBH20153.3°82.9°
CD2NCAXOAH177.4°175.6°
CD2NCAXCBE0.5°4.4°
NCD2H15H16122.3°122.2°
NCD2CGH17152.7°155.2°
CD2NCAH21118.1°120.6°
NCAXOAHCBE178.0°179.9°
NCAXCBECBG101.1°90.7°
NCAXCBENAT137.0°149.3°
NCAXCBEH519.9°29.4°
CAXNCD2H1586.3°37.1°
CAXNCD2H1635.3°85.1°
CAXNCAH2159.2°59.7°
OAHCAXCBECBG80.9°89.3°
OAHCAXCBENAT40.9°30.8°
OAHCAXCBEH5158.1°150.7°
CAXCBECBGCAE60.2°55.7°
CAXCBECBGNAT118.0°120.0°
CAXCBECBGH5121.0°120.0°
CAXCBENATH5116.4°119.9°
CAXCBECBGCAC62.5°175.7°
CAXCBECBGCAD178.9°64.3°
CAXCBENATCAV112.5°155.0°
CAXCBENATH467.5°25.1°
CAECBGCBECAC122.7°120.0°
CAECBGCBECAD118.7°120.0°
CAECBGCBENAT178.2°175.7°
CAECBGCACCAD117.2°120.0°
CAECBGCBEH560.8°64.3°
CAECBGCADH6180.0°60.0°
CAECBGCADH760.0°60.0°
CAECBGCADH860.0°180.0°
CBGCAEH9H10120.0°120.0°
CBGCAEH9H11120.0°120.0°
CBGCAEH10H11120.0°120.0°
CAECBGCACH12180.0°180.0°
CAECBGCACH1360.0°60.0°
CAECBGCACH1460.0°60.0°
CBGCBENATH5120.4°120.1°
CBECBGCACCAD120.2°120.0°
CBGCBENATCAV124.3°84.9°
CBGCBENATH455.7°94.9°
CBECBGCADH660.3°60.0°
CBECBGCADH7179.6°180.0°
CBECBGCADH859.6°60.0°
CBECBGCAEH9180.0°63.8°
CBECBGCAEH1060.0°176.2°
CBECBGCAEH1160.0°56.3°
CBECBGCACH1257.3°60.0°
CBECBGCACH1362.7°180.0°
CBECBGCACH14177.3°60.0°
NATCBECBGCAC55.5°64.3°
NATCBECBGCAD63.1°55.7°
CBENATCAVH4180.0°179.9°
CBENATCAVOAF6.2°0.1°
CBENATCAVCAA177.8°180.0°
CACCBGCBEH5176.5°55.7°
CACCBGCADH661.8°180.0°
CACCBGCADH758.2°60.0°
CACCBGCADH8178.2°60.0°
CACCBGCAEH955.7°56.2°
CACCBGCAEH1064.3°63.8°
CACCBGCAEH11175.7°176.2°
CBGCACH12H13120.0°120.0°
CBGCACH12H14120.0°120.0°
CBGCACH13H14120.0°120.0°
CADCBGCBEH558.0°175.7°
CBGCADH6H7120.0°120.0°
CBGCADH6H8120.0°120.0°
CBGCADH7H8120.0°120.0°
CADCBGCAEH960.5°176.2°
CADCBGCAEH10179.5°56.2°
CADCBGCAEH1159.5°63.8°
CADCBGCACH1262.8°60.0°
CADCBGCACH13177.2°60.0°
CADCBGCACH1457.2°180.0°
NATCAVOAFCAA175.8°179.9°
NATCAVCAAH1176.2°179.9°
NATCAVCAAH263.8°59.9°
NATCAVCAAH356.2°60.1°
CAVNATCBEH53.9°35.1°
OAFCAVCAAH10.0°0.1°
OAFCAVCAAH2120.0°119.9°
OAFCAVCAAH3120.0°120.0°
OAFCAVNATH4173.8°180.0°
CAVCAAH1H2120.0°120.0°
CAVCAAH1H3120.0°119.9°
CAVCAAH2H3120.0°120.0°
CAACAVNATH42.2°0.1°
H1CAAH2H3120.0°120.0°
H4NATCBEH5176.1°145.0°
H6CADH7H8120.0°120.0°
H9CAEH10H11120.0°120.0°
H12CACH13H14120.0°120.0°
H15CD2CGH1733.6°86.0°
H16CD2CGH1788.1°36.3°
H17CGOD1H1858.0°62.4°
H17CGCBH1932.2°88.1°
H17CGCBH2088.7°35.1°
H19CBCAH21144.2°21.4°
H20CBCAH2123.2°144.7°
H22NASCAOH2339.6°119.9°
H22NASCAOH24159.4°120.0°
H25CAKCAMH260.2°0.1°
H27CAJCALH280.1°0.0°
H30CABH31H32120.0°119.9°

222415

PDB entries from 2024-07-10

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