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UVU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAKCAJdoub1.35Å1.34ÅAromatic
CAKNBGsing1.35Å1.34ÅAromatic
CAJCAZsing1.41Å1.34ÅAromatic
CACNBGsing1.46Å1.49Å
NBGNASsing1.40Å1.33ÅAromatic
CABCAVsing1.51Å1.54Å
CAZNASdoub1.32Å1.33ÅAromatic
CAZCAYsing1.48Å1.36Å
CALCAVdoub1.32Å1.35ÅAromatic
CALNBJsing1.38Å1.36ÅAromatic
CAHCAYdoub1.39Å1.40ÅAromatic
CAHCAFsing1.38Å1.40ÅAromatic
CAVSAUsing1.77Å1.69ÅAromatic
O2C2doub1.22Å1.23Å
CAYCAIsing1.39Å1.39ÅAromatic
CANN3sing1.47Å1.48Å
CANCAAsing1.53Å1.54Å
C2N3sing1.35Å1.34Å
C2N1sing1.34Å1.38Å
NBJCAMsing1.39Å1.35ÅAromatic
NBJCBDsing1.36Å1.36ÅAromatic
CAFCAWdoub1.38Å1.40ÅAromatic
N3C4sing1.39Å1.34Å
N1C6sing1.35Å1.37Å
CAMCAXdoub1.34Å1.34ÅAromatic
CAICAGdoub1.38Å1.40ÅAromatic
SAUCBDsing1.77Å1.72ÅAromatic
C4C5doub1.39Å1.36ÅAromatic
C4N9sing1.34Å1.33ÅAromatic
C6C5sing1.41Å1.35Å
C6O6doub1.22Å1.24Å
CBDNAQdoub1.31Å1.32ÅAromatic
C5N7sing1.38Å1.35ÅAromatic
N9C8doub1.31Å1.32ÅAromatic
CAWCAGsing1.38Å1.40ÅAromatic
CAWCAPsing1.51Å1.45Å
CAXNAQsing1.34Å1.34ÅAromatic
CAXCAOsing1.51Å1.51Å
C8N7sing1.35Å1.34ÅAromatic
C8CAOsing1.51Å1.54Å
N7CAPsing1.46Å1.53Å
N1H1sing0.97Å1.00Å
CACH2sing1.09Å1.10Å
CACH3sing1.09Å1.10Å
CACH4sing1.09Å1.10Å
CAKH5sing1.08Å1.08Å
CAJH6sing1.08Å1.08Å
CAIH7sing1.08Å1.08Å
CAGH8sing1.08Å1.08Å
CAHH9sing1.08Å1.08Å
CAFH10sing1.08Å1.08Å
CAPH11sing1.09Å1.10Å
CAPH12sing1.09Å1.10Å
CANH13sing1.09Å1.10Å
CANH14sing1.09Å1.10Å
CAAH15sing1.09Å1.10Å
CAAH16sing1.09Å1.10Å
CAAH17sing1.09Å1.10Å
CAOH18sing1.09Å1.10Å
CAOH19sing1.09Å1.10Å
CABH20sing1.09Å1.10Å
CABH21sing1.09Å1.10Å
CABH22sing1.09Å1.10Å
CALH23sing1.08Å1.08Å
CAMH24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAJCAKNBG108.0°108.0°
CAKCAJCAZ107.7°107.8°
CAJCAKH5126.0°126.0°
CAKCAJH6126.2°126.1°
CAKNBGCAC126.4°125.9°
CAKNBGNAS107.9°108.1°
NBGCAKH5126.0°126.0°
CAJCAZNAS108.2°108.0°
CAJCAZCAY126.7°126.0°
CAZCAJH6126.1°126.1°
CACNBGNAS125.7°125.9°
NBGCACH2109.5°109.4°
NBGCACH3109.5°109.5°
NBGCACH4109.5°109.5°
NBGNASCAZ108.3°108.1°
CABCAVCAL125.9°127.2°
CABCAVSAU122.8°127.2°
CAVCABH20109.5°109.5°
CAVCABH21109.4°109.5°
CAVCABH22109.5°109.5°
NASCAZCAY125.1°126.0°
CAZCAYCAH123.1°120.1°
CAZCAYCAI120.0°120.1°
CAVCALNBJ114.7°118.7°
CALCAVSAU111.3°105.6°
CAVCALH23122.6°120.6°
CALNBJCAM141.2°138.9°
CALNBJCBD111.5°115.5°
NBJCALH23122.7°120.7°
CAYCAHCAF120.5°119.9°
CAHCAYCAI116.8°119.7°
CAYCAHH9119.8°120.1°
CAHCAFCAW123.1°120.1°
CAFCAHH9119.7°120.0°
CAHCAFH10118.4°119.9°
CAVSAUCBD90.4°94.3°
O2C2N3121.0°119.2°
O2C2N1119.5°119.2°
CAYCAICAG122.2°119.9°
CAYCAIH7118.9°120.1°
N3CANCAA110.6°109.5°
CANN3C2120.2°119.9°
CANN3C4120.5°119.9°
N3CANH13109.2°109.4°
N3CANH14109.2°109.5°
CAACANH13109.2°109.5°
CAACANH14109.2°109.5°
CANCAAH15109.5°109.5°
CANCAAH16109.5°109.5°
CANCAAH17109.5°109.5°
N3C2N1119.5°121.6°
C2N3C4119.3°120.1°
C2N1C6121.0°121.0°
C2N1H1119.5°119.4°
CAMNBJCBD107.4°105.6°
NBJCAMCAX106.4°107.4°
NBJCAMH24126.8°126.3°
NBJCBDSAU112.1°105.8°
NBJCBDNAQ109.3°109.6°
CAFCAWCAG115.4°120.2°
CAFCAWCAP123.4°119.9°
CAWCAFH10118.4°120.0°
N3C4C5122.3°118.8°
N3C4N9128.3°133.9°
N1C6C5118.4°119.3°
N1C6O6116.7°120.4°
C6N1H1119.5°119.6°
CAMCAXNAQ110.5°108.4°
CAMCAXCAO129.8°125.8°
CAXCAMH24126.8°126.3°
CAICAGCAW121.9°120.1°
CAGCAIH7118.9°120.0°
CAICAGH8119.1°120.0°
SAUCBDNAQ138.6°144.6°
C5C4N9109.4°107.2°
C4C5C6119.5°119.1°
C4C5N7106.9°106.2°
C4N9C8106.5°109.8°
C5C6O6124.8°120.3°
C6C5N7133.5°134.6°
CBDNAQCAX106.5°109.0°
C5N7C8106.3°107.0°
C5N7CAP126.8°126.5°
N9C8N7110.9°109.7°
N9C8CAO122.2°125.1°
CAGCAWCAP121.2°119.9°
CAWCAGH8119.0°119.9°
CAWCAPN7111.6°109.5°
CAWCAPH11108.9°109.4°
CAWCAPH12109.0°109.4°
NAQCAXCAO119.6°125.8°
CAXCAOC8116.9°109.5°
CAXCAOH18107.6°109.4°
CAXCAOH19107.6°109.5°
N7C8CAO126.8°125.1°
C8N7CAP126.9°126.5°
C8CAOH18107.6°109.5°
C8CAOH19107.6°109.5°
N7CAPH11108.9°109.5°
N7CAPH12108.9°109.5°
H2CACH3109.5°109.5°
H2CACH4109.4°109.5°
H3CACH4109.5°109.5°
H11CAPH12109.4°109.5°
H13CANH14109.5°109.5°
H15CAAH16109.5°109.5°
H15CAAH17109.4°109.4°
H16CAAH17109.5°109.4°
H18CAOH19109.5°109.5°
H20CABH21109.5°109.5°
H20CABH22109.4°109.4°
H21CABH22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAJCAKNBGH5180.0°179.8°
CAKCAJCAZH6180.0°179.8°
CAJCAKNBGCAC179.7°180.0°
CAJCAKNBGNAS0.9°0.3°
CAKCAJCAZNAS1.1°0.0°
CAKCAJCAZCAY178.1°180.0°
NBGCAKCAJCAZ0.1°0.2°
CAKNBGCACNAS179.3°179.7°
CAKNBGNASCAZ1.6°0.2°
CAKNBGCACH2179.3°90.3°
CAKNBGCACH360.7°29.7°
CAKNBGCACH459.3°149.8°
NBGCAKCAJH6179.9°180.0°
CAJCAZNASNBG1.7°0.1°
CAJCAZNASCAY177.1°180.0°
CAJCAZCAYCAH11.5°0.3°
CAJCAZCAYCAI166.9°180.0°
CAZCAJCAKH5179.9°180.0°
CACNBGNASCAZ179.0°180.0°
NBGCACH2H3120.0°120.0°
NBGCACH2H4120.0°120.0°
NBGCACH3H4120.0°120.0°
CACNBGCAKH50.3°0.2°
NBGNASCAZCAY178.8°179.9°
NASNBGCACH20.0°90.0°
NASNBGCACH3120.0°150.0°
NASNBGCACH4120.0°29.9°
NASNBGCAKH5179.1°179.9°
CABCAVCALSAU179.1°180.0°
CABCAVCALNBJ179.8°180.0°
CABCAVSAUCBD179.9°180.0°
CAVCABH20H21120.0°120.0°
CAVCABH20H22120.0°120.0°
CAVCABH21H22120.0°120.0°
CABCAVCALH230.2°0.0°
NASCAZCAYCAH172.0°179.7°
NASCAZCAYCAI9.6°0.0°
NASCAZCAJH6178.9°179.8°
CAZCAYCAHCAI178.4°179.7°
CAZCAYCAHCAF178.2°180.0°
CAZCAYCAICAG179.1°180.0°
CAYCAZCAJH61.9°0.2°
CAZCAYCAIH70.9°0.1°
CAZCAYCAHH91.8°0.1°
CAVCALNBJH23180.0°180.0°
CAVCALNBJCAM179.6°179.6°
CAVCALNBJCBD0.2°0.0°
CALCAVSAUCBD0.7°0.0°
CALCAVCABH20179.0°180.0°
CALCAVCABH2161.0°60.0°
CALCAVCABH2259.0°60.0°
NBJCALCAVSAU0.6°0.0°
CALNBJCAMCBD179.8°179.6°
CALNBJCAMCAX179.5°179.9°
CALNBJCBDSAU0.4°0.0°
CALNBJCBDNAQ179.8°180.0°
CALNBJCAMH240.5°0.0°
CAYCAHCAFH9180.0°179.9°
CAYCAHCAFCAW0.2°0.0°
CAHCAYCAICAG0.6°0.3°
CAHCAYCAIH7179.4°179.8°
CAYCAHCAFH10179.8°180.0°
CAFCAHCAYCAI0.2°0.3°
CAHCAFCAWH10180.0°180.0°
CAHCAFCAWCAG1.4°0.3°
CAHCAFCAWCAP179.9°180.0°
CAVSAUCBDNBJ0.6°0.0°
CAVSAUCBDNAQ179.6°180.0°
SAUCAVCABH200.0°0.1°
SAUCAVCABH21120.0°119.9°
SAUCAVCABH22120.0°120.1°
SAUCAVCALH23179.3°179.9°
O2C2N3CAN1.5°0.5°
O2C2N3N1179.0°179.5°
O2C2N3C4179.2°179.9°
O2C2N1C6179.2°179.7°
O2C2N1H10.8°0.2°
CAYCAICAGH7180.0°179.9°
CAYCAICAGCAW1.9°0.0°
CAYCAICAGH8178.1°180.0°
CAICAYCAHH9179.8°179.7°
N3CANCAAH13120.2°120.0°
N3CANCAAH14120.2°120.0°
CANN3C2C4179.4°179.6°
CANN3C2N1179.5°180.0°
CANN3C4C5179.5°180.0°
CANN3C4N90.1°0.3°
N3CANH13H14119.5°120.0°
N3CANCAAH15180.0°180.0°
N3CANCAAH1660.0°60.0°
N3CANCAAH1760.0°60.0°
CAACANN3C287.0°90.5°
CAACANN3C492.3°90.0°
CAACANH13H14119.5°120.0°
CANCAAH15H16120.0°120.1°
CANCAAH15H17120.0°120.0°
CANCAAH16H17120.0°120.0°
N3C2N1C60.1°0.2°
C2N3C4C50.1°0.4°
C2N3C4N9179.2°179.8°
N3C2N1H1179.9°179.8°
C2N3CANH13152.8°29.5°
C2N3CANH1433.1°149.5°
N1C2N3C40.2°0.4°
C2N1C6H1180.0°179.9°
C2N1C6C50.1°0.1°
C2N1C6O6179.1°179.9°
NBJCAMCAXH24180.0°179.9°
CAMNBJCBDSAU179.7°179.8°
CAMNBJCBDNAQ0.1°0.3°
NBJCAMCAXNAQ1.2°0.4°
NBJCAMCAXCAO178.3°179.8°
CAMNBJCALH230.4°0.3°
CBDNBJCAMCAX0.7°0.4°
NBJCBDSAUNAQ179.7°180.0°
NBJCBDNAQCAX0.8°0.0°
CBDNBJCALH23179.8°179.9°
CBDNBJCAMH24179.3°179.6°
CAFCAWCAGCAI2.2°0.3°
CAFCAWCAGCAP178.5°179.7°
CAFCAWCAPN714.5°95.5°
CAFCAWCAGH8177.8°179.8°
CAWCAFCAHH9179.8°180.0°
CAFCAWCAPH11134.9°144.5°
CAFCAWCAPH12105.8°24.5°
N3C4C5N9179.5°179.8°
N3C4C5C60.0°0.1°
N3C4C5N7179.8°179.8°
N3C4N9C8179.2°179.8°
C4N3CANH1327.9°150.0°
C4N3CANH14147.5°30.0°
N1C6C5C40.0°0.1°
N1C6C5O6179.1°180.0°
N1C6C5N7179.8°180.0°
CAMCAXNAQCBD1.3°0.3°
CAMCAXNAQCAO177.4°179.7°
CAMCAXCAOC810.2°124.8°
CAMCAXCAOH18110.9°4.8°
CAMCAXCAOH19131.3°115.2°
CAICAGCAWH8180.0°179.9°
CAICAGCAWCAP179.3°180.0°
SAUCBDNAQCAX179.0°180.0°
C4C5C6N7179.8°179.9°
C4C5C6O6179.1°179.9°
C5C4N9C81.4°0.0°
C4C5N7C80.3°0.0°
C4C5N7CAP178.4°180.0°
N9C4C5C6179.4°180.0°
N9C4C5N70.7°0.0°
C4N9C8N71.6°0.0°
C4N9C8CAO178.3°180.0°
C6C5N7C8179.6°180.0°
C6C5N7CAP1.4°0.1°
C5C6N1H1179.9°180.0°
O6C6C5N71.1°0.0°
O6C6N1H10.9°0.0°
CBDNAQCAXCAO178.7°180.0°
C5N7C8N91.2°0.0°
C5N7CAPCAW72.6°85.1°
C5N7C8CAP178.2°180.0°
C5N7C8CAO177.7°180.0°
C5N7CAPH1147.8°154.9°
C5N7CAPH12167.1°34.8°
N9C8CAOCAX84.6°84.2°
N9C8N7CAO176.5°180.0°
N9C8N7CAP179.3°180.0°
N9C8CAOH18154.3°35.7°
N9C8CAOH1936.5°155.8°
CAGCAWCAPN7163.9°84.8°
CAWCAGCAIH7178.1°179.9°
CAGCAWCAFH10178.6°179.7°
CAGCAWCAPH1143.5°35.3°
CAGCAWCAPH1275.8°155.2°
CAWCAPN7C8105.2°94.8°
CAWCAPN7H11120.3°120.0°
CAWCAPN7H12120.3°120.0°
CAPCAWCAGH80.7°0.0°
CAPCAWCAFH100.1°0.0°
CAWCAPH11H12119.0°119.9°
NAQCAXCAOC8173.0°54.9°
NAQCAXCAOH1865.9°174.8°
NAQCAXCAOH1951.9°65.1°
NAQCAXCAMH24178.8°179.6°
CAXCAOC8N799.2°95.8°
CAXCAOC8H18121.1°119.9°
CAXCAOC8H19121.1°120.0°
CAXCAOH18H19116.6°120.0°
CAOCAXCAMH241.7°0.1°
C8N7CAPH11134.4°25.1°
C8N7CAPH1215.1°145.2°
N7C8CAOH1821.8°144.3°
N7C8CAOH19139.7°24.2°
CAOC8N7CAP4.2°0.0°
C8CAOH18H19116.6°120.0°
N7CAPH11H12119.0°120.1°
H2CACH3H4120.0°120.0°
H5CAKCAJH60.1°0.2°
H7CAICAGH81.9°0.0°
H9CAHCAFH100.2°0.0°
H13CANCAAH1559.8°60.0°
H13CANCAAH16179.9°179.9°
H13CANCAAH1760.1°60.0°
H14CANCAAH1559.8°60.0°
H14CANCAAH1660.2°60.0°
H14CANCAAH17179.8°180.0°
H15CAAH16H17120.0°119.9°
H20CABH21H22120.0°120.0°

227344

PDB entries from 2024-11-13

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