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4K4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAOCAQsing1.53Å1.56Å
CAOCBKsing1.53Å1.55Å
CAQNBMsing1.47Å1.51Å
CATCAVsing1.53Å1.55Å
CATNBLsing1.47Å1.50Å
CAVNBNsing1.47Å1.50Å
OAECBAdoub1.22Å1.23Å
CABNBLsing1.47Å1.47Å
NBLCASsing1.47Å1.48Å
NBNCBKsing1.47Å1.50Å
NBNCAUsing1.47Å1.50Å
CBKCAPsing1.53Å1.53Å
NBMCBAsing1.35Å1.38Å
NBMCARsing1.47Å1.51Å
CBACBBsing1.48Å1.41Å
CAPCARsing1.53Å1.52Å
CASCAUsing1.53Å1.55Å
CBBCANdoub1.40Å1.39ÅAromatic
CBBCAIsing1.40Å1.39ÅAromatic
CANCBEsing1.38Å1.41ÅAromatic
CAICAJdoub1.38Å1.39ÅAromatic
CAAOAZsing1.43Å1.41Å
CBEOAZsing1.36Å1.40Å
CBECBCdoub1.40Å1.40ÅAromatic
CAJCBCsing1.39Å1.38ÅAromatic
CBCNAYsing1.39Å1.35Å
NAYC2sing1.39Å1.32Å
C2N3doub1.32Å1.35ÅAromatic
C2N1sing1.32Å1.36ÅAromatic
N3C4sing1.33Å1.36ÅAromatic
CALCAHdoub1.38Å1.39ÅAromatic
CALCBHsing1.39Å1.38ÅAromatic
N1C6doub1.33Å1.43ÅAromatic
CADNBPsing1.47Å1.49Å
CAHCAGsing1.39Å1.39ÅAromatic
C4NBPsing1.39Å1.34Å
C4C5doub1.40Å1.40ÅAromatic
NBPCBHsing1.39Å1.35Å
CBHCBGdoub1.40Å1.38ÅAromatic
C6C5sing1.39Å1.41ÅAromatic
CAGCAKdoub1.38Å1.38ÅAromatic
C5NBOsing1.39Å1.36Å
CBGCAKsing1.40Å1.39ÅAromatic
CBGCBFsing1.47Å1.38Å
NBOCBFsing1.33Å1.39Å
NBOCACsing1.47Å1.48Å
CBFOAFdoub1.22Å1.25Å
C6H1sing1.08Å1.08Å
CAUH2sing1.09Å1.10Å
CAUH3sing1.09Å1.10Å
CASH4sing1.09Å1.10Å
CASH5sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CABH8sing1.09Å1.10Å
CABH9sing1.09Å1.10Å
CATH10sing1.09Å1.10Å
CATH11sing1.09Å1.10Å
CAVH12sing1.09Å1.10Å
CAVH13sing1.09Å1.10Å
CBKH15sing1.09Å1.10Å
CAPH16sing1.09Å1.10Å
CAPH17sing1.09Å1.10Å
CARH18sing1.09Å1.10Å
CARH19sing1.09Å1.10Å
CAOH20sing1.09Å1.10Å
CAOH21sing1.09Å1.10Å
CAQH22sing1.09Å1.10Å
CAQH23sing1.09Å1.10Å
CANH24sing1.08Å1.08Å
CAAH25sing1.09Å1.10Å
CAAH26sing1.09Å1.10Å
CAAH27sing1.09Å1.10Å
CAIH28sing1.08Å1.08Å
CAJH29sing1.08Å1.08Å
NAYH30sing0.97Å1.00Å
CADH31sing1.09Å1.10Å
CADH32sing1.09Å1.10Å
CADH33sing1.09Å1.10Å
CALH34sing1.08Å1.08Å
CAHH35sing1.08Å1.08Å
CAGH36sing1.08Å1.08Å
CAKH37sing1.08Å1.08Å
CACH38sing1.09Å1.10Å
CACH39sing1.09Å1.10Å
CACH40sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAQCAOCBK113.5°109.3°
CAOCAQNBM117.0°108.8°
CAQCAOH20108.5°109.5°
CAQCAOH21108.5°109.5°
CAOCAQH22107.5°109.6°
CAOCAQH23107.6°109.6°
CAOCBKNBN112.4°109.5°
CAOCBKCAP107.2°109.5°
CAOCBKH15107.5°109.4°
CBKCAOH20108.5°109.5°
CBKCAOH21108.4°109.5°
CAQNBMCBA116.3°120.6°
CAQNBMCAR120.6°118.7°
NBMCAQH22107.6°109.6°
NBMCAQH23107.6°109.6°
CAVCATNBL110.5°109.3°
CATCAVNBN110.2°109.4°
CAVCATH10109.2°109.5°
CAVCATH11109.2°109.5°
CATCAVH12109.3°109.5°
CATCAVH13109.3°109.5°
CATNBLCAB113.8°111.0°
CATNBLCAS114.1°110.9°
NBLCATH10109.2°109.5°
NBLCATH11109.2°109.5°
CAVNBNCBK115.9°111.0°
CAVNBNCAU112.7°110.8°
NBNCAVH12109.3°109.5°
NBNCAVH13109.3°109.4°
OAECBANBM120.1°120.0°
OAECBACBB112.8°120.0°
CABNBLCAS113.8°111.0°
NBLCABH7109.5°109.5°
NBLCABH8109.5°109.4°
NBLCABH9109.5°109.5°
NBLCASCAU109.7°109.3°
NBLCASH4109.4°109.5°
NBLCASH5109.4°109.5°
CBKNBNCAU115.1°111.1°
NBNCBKCAP113.5°109.5°
NBNCBKH15108.2°109.5°
NBNCAUCAS111.5°109.4°
NBNCAUH2108.9°109.5°
NBNCAUH3108.9°109.5°
CBKCAPCAR109.9°109.3°
CAPCBKH15107.8°109.5°
CBKCAPH16109.3°109.5°
CBKCAPH17109.3°109.5°
CBANBMCAR123.0°120.6°
NBMCBACBB126.6°120.0°
NBMCARCAP115.6°108.7°
NBMCARH18107.9°109.6°
NBMCARH19107.9°109.7°
CBACBBCAN121.7°120.0°
CBACBBCAI118.9°120.1°
CARCAPH16109.4°109.5°
CARCAPH17109.4°109.6°
CAPCARH18107.9°109.6°
CAPCARH19107.9°109.6°
CASCAUH2109.0°109.5°
CASCAUH3109.0°109.5°
CAUCASH4109.4°109.5°
CAUCASH5109.4°109.5°
CANCBBCAI119.2°119.9°
CBBCANCBE120.0°119.9°
CBBCANH24120.0°120.0°
CBBCAICAJ121.2°120.0°
CBBCAIH28119.4°120.0°
CANCBEOAZ124.3°120.0°
CANCBECBC119.8°120.0°
CBECANH24120.0°120.1°
CAICAJCBC120.3°120.1°
CAJCAIH28119.4°119.9°
CAICAJH29119.8°119.9°
CAAOAZCBE123.0°117.0°
OAZCAAH25109.5°109.5°
OAZCAAH26109.5°109.5°
OAZCAAH27109.5°109.4°
OAZCBECBC115.8°120.0°
CBECBCCAJ119.5°120.1°
CBECBCNAY116.9°119.9°
CAJCBCNAY123.5°119.9°
CBCCAJH29119.9°120.0°
CBCNAYC2124.5°120.0°
CBCNAYH30117.7°120.0°
NAYC2N3121.6°119.2°
NAYC2N1117.0°119.1°
C2NAYH30117.7°120.0°
N3C2N1121.5°121.7°
C2N3C4121.1°120.6°
C2N1C6119.3°121.0°
N3C4NBP114.8°119.8°
N3C4C5121.1°119.1°
CAHCALCBH119.9°120.1°
CALCAHCAG120.8°120.2°
CAHCALH34120.0°120.0°
CALCAHH35119.6°119.8°
CALCBHNBP115.8°120.0°
CALCBHCBG118.5°119.8°
CBHCALH34120.0°119.9°
N1C6C5119.4°119.2°
N1C6H1120.3°120.4°
CADNBPC4118.8°120.5°
CADNBPCBH122.0°120.5°
NBPCADH31109.5°109.4°
NBPCADH32109.5°109.5°
NBPCADH33109.5°109.4°
CAHCAGCAK119.8°120.4°
CAGCAHH35119.6°119.9°
CAHCAGH36120.1°119.8°
NBPC4C5124.1°121.1°
C4NBPCBH119.1°119.0°
C4C5C6117.6°118.4°
C4C5NBO126.3°121.7°
NBPCBHCBG125.5°120.2°
CBHCBGCAK122.7°119.3°
CBHCBGCBF126.6°120.9°
C6C5NBO116.0°120.0°
C5C6H1120.3°120.4°
CAGCAKCBG118.2°120.1°
CAKCAGH36120.1°119.8°
CAGCAKH37120.9°119.9°
C5NBOCBF127.8°126.7°
C5NBOCAC113.0°116.6°
CAKCBGCBF110.6°119.8°
CBGCAKH37120.9°120.0°
CBGCBFNBO121.4°125.9°
CBGCBFOAF114.4°117.1°
CBFNBOCAC119.0°116.7°
NBOCBFOAF123.6°117.1°
NBOCACH38109.5°109.5°
NBOCACH39109.5°109.5°
NBOCACH40109.5°109.5°
H2CAUH3109.5°109.4°
H4CASH5109.4°109.5°
H7CABH8109.4°109.5°
H7CABH9109.5°109.5°
H8CABH9109.5°109.4°
H10CATH11109.5°109.5°
H12CAVH13109.5°109.5°
H16CAPH17109.5°109.5°
H18CARH19109.5°109.6°
H20CAOH21109.5°109.5°
H22CAQH23109.5°109.7°
H25CAAH26109.4°109.5°
H25CAAH27109.5°109.4°
H26CAAH27109.5°109.4°
H31CADH32109.4°109.5°
H31CADH33109.5°109.5°
H32CADH33109.5°109.5°
H38CACH39109.5°109.5°
H38CACH40109.4°109.5°
H39CACH40109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAQCAOCBKH20120.6°120.0°
CAQCAOCBKH21120.6°120.0°
CAOCAQNBMH22121.1°119.8°
CAOCAQNBMH23121.1°119.8°
CAQCAOCBKNBN179.6°178.6°
CAQCAOCBKCAP54.2°61.4°
CAOCAQNBMCBA162.9°126.4°
CAOCAQNBMCAR12.8°53.6°
CAQCAOCBKH1561.5°58.6°
CAQCAOH20H21118.2°120.1°
CAOCAQH22H23116.6°120.3°
CBKCAOCAQNBM14.5°54.6°
CAOCBKNBNCAV62.0°59.9°
CAOCBKNBNCAP121.8°120.0°
CAOCBKNBNH15118.6°120.0°
CAOCBKNBNCAU163.6°176.3°
CAOCBKCAPH15115.5°120.0°
CAOCBKCAPCAR68.9°61.4°
CAOCBKCAPH16171.0°178.7°
CAOCBKCAPH1751.2°58.7°
CBKCAOH20H21118.2°120.0°
CBKCAOCAQH22135.6°174.4°
CBKCAOCAQH23106.6°65.2°
CAQNBMCBAOAE6.6°5.4°
CAQNBMCBACAR175.6°180.0°
CAQNBMCBACBB178.1°174.6°
CAQNBMCARCAP1.5°53.6°
CAQNBMCARH18122.4°66.2°
CAQNBMCARH19119.4°173.5°
NBMCAQCAOH20135.0°65.3°
NBMCAQCAOH21106.1°174.6°
NBMCAQH22H23116.6°120.4°
CAVCATNBLH10120.2°120.0°
CAVCATNBLH11120.1°120.0°
CATCAVNBNH12120.1°120.0°
CATCAVNBNH13120.1°120.0°
CAVCATNBLCAB169.4°64.5°
CAVCATNBLCAS57.7°59.4°
CATCAVNBNCBK171.8°176.8°
CATCAVNBNCAU52.7°59.3°
CAVCATH10H11119.5°120.1°
CATCAVH12H13119.7°120.1°
NBLCATCAVNBN3.3°58.4°
CATNBLCABCAS133.1°123.8°
CATNBLCASCAU53.0°59.3°
CATNBLCASH467.0°60.6°
CATNBLCASH5173.1°179.3°
CATNBLCABH7180.0°63.8°
CATNBLCABH860.0°56.2°
CATNBLCABH960.0°176.2°
NBLCATH10H11119.6°120.0°
NBLCATCAVH12116.8°178.4°
NBLCATCAVH13123.4°61.5°
CAVNBNCBKCAU134.4°123.8°
CAVNBNCBKCAP176.2°180.0°
CAVNBNCAUCAS57.7°59.3°
CAVNBNCAUH2178.0°60.7°
CAVNBNCAUH362.7°179.3°
NBNCAVCATH10116.8°61.5°
NBNCAVCATH11123.5°178.4°
NBNCAVH12H13119.6°120.0°
CAVNBNCBKH1556.6°60.0°
OAECBANBMCBB171.5°180.0°
OAECBANBMCAR177.8°174.6°
OAECBACBBCAN61.2°33.2°
OAECBACBBCAI113.3°146.6°
CABNBLCASCAU174.0°64.6°
CABNBLCASH465.9°175.5°
CABNBLCASH554.0°55.4°
NBLCABH7H8120.0°120.0°
NBLCABH7H9120.0°120.1°
NBLCABH8H9120.0°120.0°
CABNBLCATH1070.5°175.5°
CABNBLCATH1149.3°55.5°
NBLCASCAUNBN4.3°58.4°
NBLCASCAUH4120.0°120.0°
NBLCASCAUH5120.1°120.0°
NBLCASCAUH2124.6°61.6°
NBLCASCAUH3116.0°178.4°
NBLCASH4H5119.9°120.1°
CASNBLCABH746.9°60.1°
CASNBLCABH873.1°179.9°
CASNBLCABH9166.9°60.0°
CASNBLCATH1062.5°60.6°
CASNBLCATH11177.8°179.3°
NBNCBKCAPH15119.8°120.0°
NBNCBKCAPCAR166.4°178.6°
CBKNBNCAUCAS166.5°176.8°
CBKNBNCAUH246.2°63.2°
CBKNBNCAUH373.2°56.8°
CBKNBNCAVH1251.7°56.8°
CBKNBNCAVH1368.1°63.2°
NBNCBKCAPH1646.3°58.7°
NBNCBKCAPH1773.5°61.4°
NBNCBKCAOH2059.8°61.4°
NBNCBKCAOH2159.0°58.6°
CAUNBNCBKCAP41.7°56.2°
NBNCAUCASH2120.3°120.0°
NBNCAUCASH3120.3°120.0°
NBNCAUH2H3119.0°120.0°
NBNCAUCASH4124.3°61.6°
NBNCAUCASH5115.8°178.4°
CAUNBNCAVH12172.8°179.3°
CAUNBNCAVH1367.5°60.7°
CAUNBNCBKH1577.9°63.8°
CBKCAPCARNBM42.7°54.7°
CBKCAPCARH16120.0°119.9°
CBKCAPCARH17120.0°120.0°
CBKCAPH16H17119.8°120.0°
CBKCAPCARH18163.6°65.1°
CBKCAPCARH1978.2°174.6°
CAPCBKCAOH20174.8°58.6°
CAPCBKCAOH2166.4°178.6°
CBANBMCARCAP176.9°126.4°
NBMCBACBBCAN126.7°146.8°
NBMCBACBBCAI58.7°33.5°
CBANBMCARH1862.2°113.8°
CBANBMCARH1956.0°6.6°
CBANBMCAQH2276.1°6.6°
CBANBMCAQH2341.8°113.8°
CARNBMCBACBB6.3°5.4°
NBMCARCAPH18120.9°119.8°
NBMCARCAPH19120.9°119.9°
NBMCARCAPH16162.8°174.6°
NBMCARCAPH1777.3°65.3°
NBMCARH18H19117.2°120.4°
CARNBMCAQH22108.2°173.4°
CARNBMCAQH23133.9°66.2°
CBACBBCANCAI174.5°179.8°
CBACBBCANCBE175.3°180.0°
CBACBBCAICAJ177.1°180.0°
CBACBBCANH244.7°0.0°
CBACBBCAIH282.9°0.1°
CARCAPCBKH1546.6°58.6°
CARCAPH16H17119.8°120.1°
CAPCARH18H19117.2°120.3°
CASCAUH2H3119.1°120.0°
CAUCASH4H5119.9°120.1°
CBBCANCBEH24180.0°180.0°
CANCBBCAICAJ2.4°0.2°
CBBCANCBEOAZ177.3°180.0°
CBBCANCBECBC1.6°0.0°
CANCBBCAIH28177.6°179.7°
CAICBBCANCBE0.8°0.2°
CBBCAICAJH28180.0°179.9°
CBBCAICAJCBC1.5°0.0°
CAICBBCANH24179.2°179.8°
CBBCAICAJH29178.5°180.0°
CANCBEOAZCAA81.6°0.1°
CANCBEOAZCBC175.9°180.0°
CANCBECBCCAJ2.4°0.3°
CANCBECBCNAY179.9°180.0°
CAICAJCBCCBE0.9°0.3°
CAICAJCBCH29180.0°180.0°
CAICAJCBCNAY178.4°180.0°
CAAOAZCBECBC102.5°179.9°
OAZCAAH25H26120.0°120.1°
OAZCAAH25H27120.0°119.9°
OAZCAAH26H27120.0°120.0°
OAZCBECBCCAJ178.5°179.7°
OAZCBECBCNAY3.8°0.0°
OAZCBECANH242.7°0.0°
CBEOAZCAAH25180.0°60.1°
CBEOAZCAAH2660.0°60.0°
CBEOAZCAAH2760.0°180.0°
CBECBCCAJNAY177.5°179.7°
CBECBCNAYC2143.8°147.8°
CBCCBECANH24178.4°180.0°
CBECBCCAJH29179.1°179.7°
CBECBCNAYH3036.2°32.2°
CAJCBCNAYC238.6°32.4°
CBCCAJCAIH28178.4°180.0°
CAJCBCNAYH30141.4°147.6°
CBCNAYC2H30180.0°180.0°
CBCNAYC2N32.0°174.0°
CBCNAYC2N1177.5°6.0°
NAYCBCCAJH291.5°0.0°
NAYC2N3N1179.4°180.0°
NAYC2N3C4179.7°179.8°
NAYC2N1C6179.6°179.0°
N3C2N1C60.2°1.0°
C2N3C4NBP178.7°177.9°
C2N3C4C51.4°1.7°
N3C2NAYH30178.0°6.0°
N1C2N3C40.9°0.1°
C2N1C6C50.0°0.0°
C2N1C6H1180.0°179.9°
N1C2NAYH302.5°174.0°
N3C4NBPCAD47.3°61.8°
N3C4NBPC5177.3°179.5°
N3C4NBPCBH129.7°118.2°
N3C4C5C61.1°2.6°
N3C4C5NBO178.8°176.0°
CAHCALCBHH34180.0°179.9°
CALCAHCAGH35180.0°179.9°
CAHCALCBHNBP177.7°178.2°
CAHCALCBHCBG2.3°1.4°
CALCAHCAGCAK1.4°0.9°
CALCAHCAGH36178.7°179.1°
CALCBHNBPCAD54.4°60.0°
CBHCALCAHCAG2.9°0.2°
CALCBHNBPC4122.5°120.0°
CALCBHNBPCBG175.1°179.6°
CALCBHCBGCAK0.2°2.4°
CALCBHCBGCBF175.8°175.3°
CBHCALCAHH35177.1°179.9°
N1C6C5C40.4°1.8°
N1C6C5H1180.0°180.0°
N1C6C5NBO178.4°176.9°
CADNBPC4CBH177.1°180.0°
CADNBPC4C5135.4°118.7°
CADNBPCBHCBG130.4°120.4°
NBPCADH31H32120.0°120.0°
NBPCADH31H33120.0°119.9°
NBPCADH32H33120.0°120.0°
CAHCAGCAKH36180.0°179.9°
CAHCAGCAKCBG0.7°0.1°
CAGCAHCALH34177.2°179.9°
CAHCAGCAKH37179.3°179.9°
C4NBPCBHCBG52.6°59.7°
NBPC4C5C6178.2°176.9°
NBPC4C5NBO4.0°4.4°
C4NBPCADH31180.0°0.1°
C4NBPCADH3260.0°119.9°
C4NBPCADH3360.0°120.0°
C5C4NBPCBH47.6°61.4°
C4C5C6NBO178.0°178.6°
C4C5NBOCBF26.8°40.0°
C4C5NBOCAC148.0°140.0°
C4C5C6H1179.6°178.3°
NBPCBHCBGCAK175.2°177.3°
NBPCBHCBGCBF0.8°5.1°
CBHNBPCADH313.1°180.0°
CBHNBPCADH32123.0°60.0°
CBHNBPCADH33117.0°60.0°
NBPCBHCALH342.3°1.9°
CBHCBGCAKCAG1.3°1.7°
CBHCBGCAKCBF176.6°177.7°
CBHCBGCBFNBO35.3°39.0°
CBHCBGCBFOAF153.2°141.0°
CBGCBHCALH34177.8°178.5°
CBHCBGCAKH37178.7°178.3°
C6C5NBOCBF155.4°141.4°
C6C5NBOCAC29.8°38.6°
CAGCAKCBGH37180.0°180.0°
CAGCAKCBGCBF177.9°176.0°
CAKCAGCAHH35178.6°179.2°
C5NBOCBFCBG7.8°1.1°
C5NBOCBFCAC174.5°180.0°
C5NBOCBFOAF178.5°178.8°
NBOC5C6H11.6°3.1°
C5NBOCACH38180.0°90.0°
C5NBOCACH3960.0°150.0°
C5NBOCACH4060.0°30.1°
CAKCBGCBFNBO141.2°143.3°
CAKCBGCBFOAF30.4°36.6°
CBGCAKCAGH36179.3°180.0°
CBGCBFNBOOAF170.7°179.9°
CBGCBFNBOCAC177.7°178.9°
CBFCBGCAKH372.1°4.0°
CBFNBOCACH384.7°90.0°
CBFNBOCACH39124.7°30.1°
CBFNBOCACH40115.3°150.0°
CACNBOCBFOAF6.9°1.2°
NBOCACH38H39120.0°120.0°
NBOCACH38H40120.0°120.0°
NBOCACH39H40120.0°120.0°
H2CAUCASH4115.4°178.4°
H2CAUCASH54.5°58.4°
H3CAUCASH44.0°58.5°
H3CAUCASH5123.9°61.6°
H7CABH8H9120.0°120.0°
H10CATCAVH12123.0°58.4°
H10CATCAVH133.3°178.5°
H11CATCAVH123.3°61.7°
H11CATCAVH13116.4°58.4°
H15CBKCAPH1673.5°61.3°
H15CBKCAPH17166.7°178.6°
H15CBKCAOH2059.1°178.6°
H15CBKCAOH21177.9°61.4°
H16CAPCARH1876.3°54.8°
H16CAPCARH1941.9°65.5°
H17CAPCARH1843.6°174.9°
H17CAPCARH19161.8°54.5°
H20CAOCAQH22103.8°54.5°
H20CAOCAQH2314.0°174.9°
H21CAOCAQH2215.0°65.6°
H21CAOCAQH23132.8°54.8°
H25CAAH26H27120.0°120.0°
H28CAICAJH291.5°0.0°
H31CADH32H33120.0°120.0°
H34CALCAHH352.9°0.1°
H35CAHCAGH361.3°0.9°
H36CAGCAKH370.7°0.0°
H38CACH39H40120.0°120.0°

223532

PDB entries from 2024-08-07

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