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YJA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAKCBCsing1.38Å1.37ÅAromatic
CAKCBDdoub1.39Å1.42ÅAromatic
CBCFADsing1.35Å1.64Å
CBCCAGdoub1.38Å1.38ÅAromatic
CAGCAEsing1.38Å1.40ÅAromatic
CAECAHdoub1.38Å1.40ÅAromatic
CAHCBDsing1.39Å1.36ÅAromatic
CBDNAXsing1.40Å1.32Å
NAXCBBsing1.35Å1.33Å
CBBOABdoub1.21Å1.24Å
CBBCATsing1.51Å1.58Å
CATCBEsing1.51Å1.60Å
CBECALsing1.40Å1.35ÅAromatic
CBENAZdoub1.31Å1.33ÅAromatic
CALCBGdoub1.36Å1.36ÅAromatic
NAZNAWsing1.40Å1.39ÅAromatic
NAWCBGsing1.36Å1.35ÅAromatic
CBGNAYsing1.39Å1.39Å
NAYC6sing1.38Å1.37Å
C6N1sing1.33Å1.36ÅAromatic
C6C5doub1.41Å1.44ÅAromatic
N1C2doub1.32Å1.35ÅAromatic
C2N3sing1.31Å1.39ÅAromatic
N3C4doub1.34Å1.37ÅAromatic
C4CAMsing1.40Å1.45ÅAromatic
C4C5sing1.42Å1.44ÅAromatic
CAMCBFdoub1.38Å1.40ÅAromatic
C5CAJsing1.40Å1.43ÅAromatic
CAJCAIdoub1.36Å1.40ÅAromatic
CAICBFsing1.40Å1.40ÅAromatic
CBFOBAsing1.36Å1.38Å
OBACAQsing1.43Å1.41Å
CAQCAPsing1.53Å1.52Å
CAPCASsing1.53Å1.52Å
CASNBKsing1.47Å1.49Å
NBKCAOsing1.47Å1.48Å
NBKCARsing1.47Å1.48Å
CAOCAAsing1.53Å1.55Å
CARCANsing1.53Å1.54Å
CANOACsing1.43Å1.45Å
CAKHAKsing1.08Å1.08Å
CAGHAGsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
NAXHAXsing0.97Å1.00Å
CATHAT1sing1.09Å1.10Å
CATHAT2sing1.09Å1.10Å
CALHALsing1.08Å1.08Å
NAWHAWsing0.97Å1.00Å
NAYHAYsing0.97Å1.00Å
C2H2sing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
CAJHAJsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAQHAQ1sing1.09Å1.10Å
CAQHAQ2sing1.09Å1.10Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CAOHAO1sing1.09Å1.10Å
CAOHAO2sing1.09Å1.10Å
CARHAR1sing1.09Å1.10Å
CARHAR2sing1.09Å1.10Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CANHAN1sing1.09Å1.10Å
CANHAN2sing1.09Å1.10Å
OACHACsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBCCAKCBD123.5°119.9°
CAKCBCFAD119.3°120.0°
CAKCBCCAG116.4°120.0°
CBCCAKHAK118.2°120.0°
CAKCBDCAH119.2°119.9°
CAKCBDNAX121.5°120.1°
CBDCAKHAK118.2°120.1°
FADCBCCAG124.3°120.0°
CBCCAGCAE121.7°120.1°
CBCCAGHAG119.2°120.0°
CAGCAECAH120.4°120.1°
CAECAGHAG119.1°120.0°
CAGCAEHAE119.8°119.9°
CAECAHCBD118.7°120.0°
CAHCAEHAE119.8°119.9°
CAECAHHAH120.7°120.1°
CAHCBDNAX118.9°120.1°
CBDCAHHAH120.7°120.0°
CBDNAXCBB121.2°120.0°
CBDNAXHAX119.4°120.0°
NAXCBBOAB122.4°119.9°
NAXCBBCAT113.8°120.0°
CBBNAXHAX119.4°120.0°
OABCBBCAT123.0°120.1°
CBBCATCBE101.8°109.4°
CBBCATHAT1111.4°109.5°
CBBCATHAT2111.4°109.5°
CATCBECAL128.1°125.8°
CATCBENAZ125.0°125.8°
CBECATHAT1111.4°109.5°
CBECATHAT2111.3°109.5°
CALCBENAZ106.8°108.4°
CBECALCBG111.0°107.9°
CBECALHAL124.5°126.0°
CBENAZNAW108.5°108.4°
CALCBGNAW105.9°107.4°
CALCBGNAY131.5°126.3°
CBGCALHAL124.5°126.1°
NAZNAWCBG107.8°107.8°
NAZNAWHAW126.1°126.1°
NAWCBGNAY122.6°126.3°
CBGNAWHAW126.1°126.1°
CBGNAYC6122.7°120.0°
CBGNAYHAY118.6°120.0°
NAYC6N1117.5°120.9°
NAYC6C5120.0°120.9°
C6NAYHAY118.7°120.0°
N1C6C5122.4°118.2°
C6N1C2115.1°121.5°
C6C5C4119.6°118.2°
C6C5CAJ125.3°122.0°
N1C2N3125.5°122.9°
N1C2H2117.2°118.5°
C2N3C4121.3°120.5°
N3C2H2117.2°118.5°
N3C4CAM121.0°121.9°
N3C4C5115.5°118.7°
CAMC4C5123.4°119.4°
C4CAMCBF118.2°119.4°
C4CAMHAM120.9°120.3°
C4C5CAJ114.9°119.8°
CAMCBFCAI118.6°120.8°
CAMCBFOBA124.3°119.6°
CBFCAMHAM120.9°120.3°
C5CAJCAI121.3°119.7°
C5CAJHAJ119.3°120.1°
CAJCAICBF123.1°120.8°
CAICAJHAJ119.4°120.2°
CAJCAIHAI118.4°119.5°
CAICBFOBA117.0°119.6°
CBFCAIHAI118.4°119.6°
CBFOBACAQ126.7°117.0°
OBACAQCAP99.3°109.5°
OBACAQHAQ1111.9°109.5°
OBACAQHAQ2112.0°109.5°
CAQCAPCAS111.1°109.5°
CAPCAQHAQ1112.0°109.5°
CAPCAQHAQ2111.9°109.5°
CAQCAPHAP1109.0°109.5°
CAQCAPHAP2109.1°109.4°
CAPCASNBK105.9°109.5°
CASCAPHAP1109.1°109.5°
CASCAPHAP2109.1°109.5°
CAPCASHAS1110.4°109.5°
CAPCASHAS2110.4°109.5°
CASNBKCAO111.9°111.0°
CASNBKCAR108.7°111.0°
NBKCASHAS1110.3°109.4°
NBKCASHAS2110.3°109.5°
CAONBKCAR112.8°111.0°
NBKCAOCAA107.8°109.5°
NBKCAOHAO1109.9°109.4°
NBKCAOHAO2109.9°109.4°
NBKCARCAN109.7°109.4°
NBKCARHAR1109.4°109.4°
NBKCARHAR2109.4°109.5°
CAACAOHAO1109.9°109.5°
CAACAOHAO2109.9°109.5°
CAOCAAHAA1109.5°109.5°
CAOCAAHAA2109.4°109.5°
CAOCAAHAA3109.5°109.5°
CARCANOAC106.8°109.5°
CANCARHAR1109.4°109.5°
CANCARHAR2109.4°109.5°
CARCANHAN1110.2°109.4°
CARCANHAN2110.1°109.5°
OACCANHAN1110.1°109.5°
OACCANHAN2110.1°109.5°
CANOACHAC109.5°114.0°
HAT1CATHAT2109.4°109.5°
HAQ1CAQHAQ2109.5°109.4°
HAP1CAPHAP2109.5°109.5°
HAS1CASHAS2109.5°109.4°
HAO1CAOHAO2109.4°109.5°
HAR1CARHAR2109.5°109.5°
HAA1CAAHAA2109.5°109.4°
HAA1CAAHAA3109.5°109.4°
HAA2CAAHAA3109.5°109.5°
HAN1CANHAN2109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBCCAKCBDHAK180.0°179.8°
CAKCBCFADCAG178.6°179.9°
CAKCBCCAGCAE1.4°0.1°
CBCCAKCBDCAH4.1°0.0°
CBCCAKCBDNAX176.4°180.0°
CAKCBCCAGHAG178.6°180.0°
CBDCAKCBCFAD178.6°180.0°
CBDCAKCBCCAG2.7°0.1°
CAKCBDCAHCAE3.9°0.1°
CAKCBDCAHNAX172.6°180.0°
CAKCBDNAXCBB1.2°33.7°
CAKCBDCAHHAH176.1°180.0°
CAKCBDNAXHAX178.8°146.3°
FADCBCCAGCAE180.0°180.0°
FADCBCCAKHAK1.4°0.2°
FADCBCCAGHAG0.0°0.1°
CBCCAGCAEHAG180.0°180.0°
CBCCAGCAECAH1.5°0.0°
CAGCBCCAKHAK177.3°179.7°
CBCCAGCAEHAE178.5°179.9°
CAGCAECAHHAE180.0°180.0°
CAGCAECAHCBD2.8°0.1°
CAGCAECAHHAH177.3°180.0°
CAECAHCBDHAH180.0°179.9°
CAECAHCBDNAX176.5°179.9°
CAHCAECAGHAG178.5°180.0°
CAHCBDNAXCBB171.2°146.3°
CAHCBDCAKHAK175.9°179.8°
CBDCAHCAEHAE177.2°180.0°
CAHCBDNAXHAX8.8°33.7°
CBDNAXCBBHAX180.0°180.0°
CBDNAXCBBOAB22.0°4.8°
CBDNAXCBBCAT168.1°175.2°
NAXCBDCAKHAK3.5°0.2°
NAXCBDCAHHAH3.5°0.0°
NAXCBBOABCAT169.0°180.0°
NAXCBBCATCBE166.2°180.0°
NAXCBBCATHAT147.4°60.0°
NAXCBBCATHAT275.0°60.0°
OABCBBCATCBE3.6°0.0°
OABCBBNAXHAX158.0°175.2°
OABCBBCATHAT1122.4°120.0°
OABCBBCATHAT2115.1°120.0°
CBBCATCBEHAT1118.8°120.0°
CBBCATCBEHAT2118.8°120.0°
CBBCATCBECAL130.3°125.0°
CBBCATCBENAZ50.1°55.3°
CATCBBNAXHAX11.9°4.7°
CBBCATHAT1HAT2123.6°120.0°
CATCBECALNAZ179.7°179.7°
CATCBECALCBG178.4°180.0°
CATCBENAZNAW178.8°179.9°
CBECATHAT1HAT2123.5°120.0°
CATCBECALHAL1.6°0.1°
CBECALCBGHAL180.0°179.9°
CALCBENAZNAW1.5°0.2°
CBECALCBGNAW1.6°0.2°
CBECALCBGNAY178.5°179.9°
CALCBECATHAT111.5°5.0°
CALCBECATHAT2110.9°115.0°
NAZCBECALCBG1.9°0.2°
CBENAZNAWCBG0.6°0.1°
NAZCBECATHAT1168.9°175.3°
NAZCBECATHAT268.7°64.7°
NAZCBECALHAL178.1°179.8°
CBENAZNAWHAW179.4°180.0°
CALCBGNAWNAZ0.6°0.0°
CALCBGNAWNAY180.0°179.9°
CALCBGNAYC617.4°0.0°
CALCBGNAWHAW179.4°179.9°
CALCBGNAYHAY162.5°180.0°
NAZNAWCBGHAW180.0°179.9°
NAZNAWCBGNAY179.4°179.9°
NAWCBGNAYC6162.6°179.9°
NAWCBGCALHAL178.4°179.9°
NAWCBGNAYHAY17.5°0.1°
CBGNAYC6HAY180.0°180.0°
CBGNAYC6N126.3°0.0°
CBGNAYC6C5156.6°179.7°
NAYCBGCALHAL1.6°0.0°
NAYCBGNAWHAW0.6°0.0°
NAYC6N1C5177.0°179.8°
NAYC6N1C2176.4°180.0°
NAYC6C5C4179.1°179.8°
NAYC6C5CAJ3.4°0.0°
C6N1C2N38.1°0.0°
N1C6C5C44.0°0.5°
N1C6C5CAJ179.6°179.8°
N1C6NAYHAY153.6°180.0°
C6N1C2H2171.8°180.0°
C5C6N1C26.6°0.2°
C6C5C4N32.0°0.5°
C6C5C4CAM174.2°179.7°
C6C5C4CAJ176.1°179.8°
C6C5CAJCAI177.5°180.0°
C5C6NAYHAY23.5°0.3°
C6C5CAJHAJ2.5°0.0°
N1C2N3H2180.0°180.0°
N1C2N3C46.8°0.0°
C2N3C4CAM173.0°179.9°
C2N3C4C53.2°0.3°
N3C4CAMC5175.9°179.8°
N3C4CAMCBF177.1°180.0°
N3C4C5CAJ178.1°179.7°
C4N3C2H2173.2°180.0°
N3C4CAMHAM2.9°0.0°
C4CAMCBFHAM180.0°180.0°
CAMC4C5CAJ2.0°0.0°
C4CAMCBFCAI8.2°0.9°
C4CAMCBFOBA175.3°180.0°
C5C4CAMCBF7.0°0.3°
C4C5CAJCAI1.6°0.3°
C5C4CAMHAM173.0°179.8°
C4C5CAJHAJ178.4°179.8°
CAMCBFCAICAJ5.0°1.2°
CAMCBFCAIOBA176.7°179.1°
CAMCBFOBACAQ32.2°180.0°
CAMCBFCAIHAI175.0°179.7°
C5CAJCAIHAJ180.0°180.0°
C5CAJCAICBF0.1°0.9°
C5CAJCAIHAI179.9°180.0°
CAJCAICBFHAI180.0°179.2°
CAJCAICBFOBA178.2°179.7°
CAICBFOBACAQ151.3°0.8°
CAICBFCAMHAM171.8°179.2°
CBFCAICAJHAJ179.9°179.2°
CBFOBACAQCAP131.3°180.0°
OBACBFCAMHAM4.7°0.0°
OBACBFCAIHAI1.7°0.5°
CBFOBACAQHAQ1110.3°60.0°
CBFOBACAQHAQ213.0°60.0°
OBACAQCAPHAQ1118.3°120.1°
OBACAQCAPHAQ2118.3°120.0°
OBACAQCAPCAS130.3°180.0°
OBACAQHAQ1HAQ2124.7°120.0°
OBACAQCAPHAP1109.5°59.9°
OBACAQCAPHAP210.1°60.0°
CAQCAPCASHAP1120.2°120.0°
CAQCAPCASHAP2120.2°119.9°
CAQCAPCASNBK155.4°180.0°
CAPCAQHAQ1HAQ2124.7°119.9°
CAQCAPHAP1HAP2119.3°119.9°
CAQCAPCASHAS135.9°60.0°
CAQCAPCASHAS285.2°60.0°
CAPCASNBKHAS1119.4°120.0°
CAPCASNBKHAS2119.4°120.0°
CAPCASNBKCAO148.3°66.0°
CAPCASNBKCAR86.6°170.0°
CASCAPCAQHAQ112.0°59.9°
CASCAPCAQHAQ2111.4°60.0°
CASCAPHAP1HAP2119.3°120.1°
CAPCASHAS1HAS2121.7°120.0°
CASNBKCAOCAR122.9°123.9°
CASNBKCAOCAA95.8°57.2°
CASNBKCARCAN165.0°163.8°
NBKCASCAPHAP184.4°60.0°
NBKCASCAPHAP235.1°60.1°
NBKCASHAS1HAS2121.6°120.0°
CASNBKCAOHAO1144.5°62.8°
CASNBKCAOHAO224.0°177.2°
CASNBKCARHAR145.0°43.8°
CASNBKCARHAR274.9°76.2°
NBKCAOCAAHAO1119.8°120.0°
NBKCAOCAAHAO2119.7°120.0°
CAONBKCARCAN70.3°72.2°
CAONBKCASHAS192.3°173.9°
CAONBKCASHAS228.8°54.0°
NBKCAOHAO1HAO2120.7°120.0°
CAONBKCARHAR1169.7°167.8°
CAONBKCARHAR249.7°47.7°
NBKCAOCAAHAA1180.0°65.7°
NBKCAOCAAHAA260.0°174.3°
NBKCAOCAAHAA360.0°54.3°
CARNBKCAOCAA141.4°66.7°
NBKCARCANHAR1120.0°120.0°
NBKCARCANHAR2120.0°120.0°
NBKCARCANOAC123.4°65.5°
CARNBKCASHAS132.9°50.0°
CARNBKCASHAS2154.0°70.0°
CARNBKCAOHAO121.6°173.3°
CARNBKCAOHAO298.9°53.3°
NBKCARHAR1HAR2119.9°120.0°
NBKCARCANHAN1117.0°174.6°
NBKCARCANHAN23.8°54.6°
CAACAOHAO1HAO2120.8°120.0°
CAOCAAHAA1HAA2120.0°120.0°
CAOCAAHAA1HAA3120.0°120.0°
CAOCAAHAA2HAA3120.0°120.0°
CARCANOACHAN1119.6°120.0°
CARCANOACHAN2119.6°120.0°
CANCARHAR1HAR2119.9°120.1°
CARCANHAN1HAN2121.2°120.0°
CARCANOACHAC180.0°180.0°
OACCANCARHAR13.3°54.5°
OACCANCARHAR2116.6°174.6°
OACCANHAN1HAN2121.2°120.0°
HAGCAGCAEHAE1.5°0.0°
HAECAECAHHAH2.8°0.0°
HAJCAJCAIHAI0.1°0.0°
HAQ1CAQCAPHAP1132.2°180.0°
HAQ1CAQCAPHAP2108.3°60.0°
HAQ2CAQCAPHAP18.9°60.1°
HAQ2CAQCAPHAP2128.4°179.9°
HAP1CAPCASHAS1156.2°180.0°
HAP1CAPCASHAS235.0°60.0°
HAP2CAPCASHAS184.3°59.9°
HAP2CAPCASHAS2154.5°179.9°
HAO1CAOCAAHAA160.2°54.3°
HAO1CAOCAAHAA2179.8°65.7°
HAO1CAOCAAHAA359.8°174.3°
HAO2CAOCAAHAA160.3°174.3°
HAO2CAOCAAHAA259.7°54.3°
HAO2CAOCAAHAA3179.7°65.7°
HAR1CARCANHAN1122.9°65.5°
HAR1CARCANHAN2116.3°174.5°
HAR2CARCANHAN13.0°54.6°
HAR2CARCANHAN2123.8°65.4°
HAA1CAAHAA2HAA3120.0°119.9°
HAN1CANOACHAC60.4°60.0°
HAN2CANOACHAC60.4°60.0°

222415

PDB entries from 2024-07-10

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