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WPG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAHPBEdoub1.48Å1.58Å
CAMCALsing1.53Å1.51Å
CAMPBEsing1.82Å1.85Å
CALCAUsing1.51Å1.50Å
PBEOADsing1.61Å1.53Å
PBEOAGsing1.61Å1.56Å
CAUOABdoub1.21Å1.23Å
CAUNBCsing1.35Å1.44Å
OAIPBFdoub1.48Å1.58Å
OAFCAZsing1.43Å1.38Å
NBCCAOsing1.47Å1.47Å
NBCCAPsing1.47Å1.47Å
CAOCBAsing1.55Å1.47Å
CAZPBFsing1.82Å1.85Å
CAZCANsing1.53Å1.52Å
PBFOAEsing1.61Å1.51Å
PBFOAJsing1.61Å1.55Å
CAPCBBsing1.54Å1.49Å
CBAOATsing1.43Å1.39Å
CBACBBsing1.55Å1.47Å
OATCANsing1.43Å1.41Å
CBBN9sing1.46Å1.47Å
N9C8sing1.37Å1.35ÅAromatic
N9C4sing1.37Å1.39ÅAromatic
N3C4sing1.34Å1.39Å
N3C2doub1.32Å1.35Å
C8N7doub1.30Å1.37ÅAromatic
C4C5doub1.40Å1.40ÅAromatic
N2C2sing1.37Å1.44Å
C2N1sing1.36Å1.35Å
N7C5sing1.36Å1.40ÅAromatic
C5C6sing1.41Å1.43Å
N1C6sing1.35Å1.36Å
C6O6doub1.22Å1.38Å
C8H1sing1.08Å1.08Å
N2H2sing0.97Å1.00Å
N2H3sing0.97Å1.00Å
OAJH5sing0.97Å0.95Å
OAEH6sing0.97Å0.95Å
CAZH7sing1.09Å1.10Å
OAFH8sing0.97Å0.95Å
CANH9sing1.09Å1.10Å
CANH10sing1.09Å1.10Å
CBAH11sing1.09Å1.10Å
CAOH12sing1.09Å1.10Å
CAOH13sing1.09Å1.10Å
CALH14sing1.09Å1.10Å
CALH15sing1.09Å1.10Å
CAMH16sing1.09Å1.10Å
CAMH17sing1.09Å1.10Å
OAGH18sing0.97Å0.95Å
OADH19sing0.97Å0.95Å
CAPH20sing1.09Å1.10Å
CAPH21sing1.09Å1.10Å
CBBH22sing1.09Å1.10Å
N1H23sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAHPBECAM104.4°109.5°
OAHPBEOAD108.2°109.5°
OAHPBEOAG110.7°109.5°
CALCAMPBE113.5°109.5°
CAMCALCAU113.0°109.5°
CAMCALH14108.6°109.4°
CAMCALH15108.6°109.5°
CALCAMH16108.4°109.4°
CALCAMH17108.5°109.5°
CAMPBEOAD112.7°109.5°
CAMPBEOAG110.8°109.5°
PBECAMH16108.5°109.5°
PBECAMH17108.4°109.5°
CALCAUOAB120.3°120.0°
CALCAUNBC120.6°120.0°
CAUCALH14108.6°109.5°
CAUCALH15108.6°109.5°
OADPBEOAG109.8°109.5°
PBEOADH19109.5°114.0°
PBEOAGH18109.5°114.0°
OABCAUNBC119.1°120.0°
CAUNBCCAO127.9°125.6°
CAUNBCCAP123.5°125.6°
OAIPBFCAZ105.0°109.4°
OAIPBFOAE110.3°109.5°
OAIPBFOAJ112.9°109.5°
OAFCAZPBF105.9°109.4°
OAFCAZCAN110.2°109.5°
OAFCAZH7112.1°109.4°
CAZOAFH8109.5°114.0°
CAONBCCAP108.6°108.7°
NBCCAOCBA104.8°104.8°
NBCCAOH12110.6°110.3°
NBCCAOH13110.6°110.5°
NBCCAPCBB94.7°107.2°
NBCCAPH20113.0°109.9°
NBCCAPH21113.0°109.9°
CAOCBAOAT106.9°111.1°
CAOCBACBB101.5°101.6°
CAOCBAH11110.9°111.0°
CBACAOH12110.6°110.3°
CBACAOH13110.6°110.3°
PBFCAZCAN112.3°109.5°
CAZPBFOAE106.9°109.4°
CAZPBFOAJ110.6°109.5°
PBFCAZH7106.3°109.5°
CAZCANOAT116.5°109.5°
CANCAZH7110.0°109.5°
CAZCANH9107.6°109.5°
CAZCANH10107.7°109.5°
OAEPBFOAJ110.8°109.5°
PBFOAEH6109.5°114.0°
PBFOAJH5109.5°113.9°
CAPCBBCBA104.9°102.9°
CAPCBBN9122.9°110.7°
CBBCAPH20113.0°109.9°
CBBCAPH21113.0°109.9°
CAPCBBH22103.4°110.7°
OATCBACBB114.1°111.0°
CBAOATCAN119.2°114.0°
OATCBAH11112.1°110.9°
CBACBBN9116.2°110.7°
CBBCBAH11110.8°111.0°
CBACBBH22103.5°110.7°
OATCANH9107.7°109.5°
OATCANH10107.7°109.5°
CBBN9C8129.4°126.3°
CBBN9C4119.7°126.3°
N9CBBH22103.5°110.8°
C8N9C4110.9°107.4°
N9C8N7108.4°109.8°
N9C8H1125.8°125.1°
N9C4N3135.0°134.1°
N9C4C5104.9°106.1°
C4N3C2120.4°121.1°
N3C4C5120.1°119.7°
N3C2N2120.1°119.0°
N3C2N1120.4°121.9°
C8N7C5106.8°109.4°
N7C8H1125.8°125.1°
C4C5N7109.0°107.3°
C4C5C6117.8°118.6°
N2C2N1119.5°119.1°
C2N2H2120.0°120.0°
C2N2H3120.0°120.0°
C2N1C6122.3°120.3°
C2N1H23118.8°119.8°
N7C5C6133.2°134.1°
C5C6N1119.0°118.4°
C5C6O6120.4°120.8°
N1C6O6120.6°120.8°
C6N1H23118.9°119.9°
H2N2H3120.0°120.0°
H9CANH10109.5°109.4°
H12CAOH13109.5°110.3°
H14CALH15109.5°109.5°
H16CAMH17109.4°109.5°
H20CAPH21109.4°110.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAHPBECAMCAL162.0°55.0°
OAHPBECAMOAD117.2°120.0°
OAHPBECAMOAG119.2°120.0°
OAHPBEOADOAG121.0°120.0°
OAHPBECAMH1641.4°65.0°
OAHPBECAMH1777.3°175.0°
OAHPBEOAGH180.0°180.0°
OAHPBEOADH190.0°60.0°
CALCAMPBEH16120.6°120.0°
CALCAMPBEH17120.6°120.0°
CAMCALCAUH14120.5°120.0°
CAMCALCAUH15120.5°120.0°
CALCAMPBEOAD44.8°175.0°
CALCAMPBEOAG78.7°65.0°
CAMCALCAUOAB6.1°0.1°
CAMCALCAUNBC175.6°180.0°
CAMCALH14H15118.4°120.0°
CALCAMH16H17118.2°120.0°
PBECAMCALCAU77.0°180.0°
CAMPBEOADOAG124.1°120.0°
PBECAMCALH14162.4°60.0°
PBECAMCALH1543.5°60.0°
PBECAMH16H17118.1°120.1°
CAMPBEOAGH18115.4°60.0°
CAMPBEOADH19115.0°180.0°
CALCAUOABNBC178.4°180.0°
CALCAUNBCCAO1.6°0.0°
CALCAUNBCCAP179.0°180.0°
CAUCALH14H15118.4°120.0°
CAUCALCAMH16162.3°60.0°
CAUCALCAMH1743.6°60.0°
OADPBECAMH1675.8°55.0°
OADPBECAMH17165.4°65.0°
OADPBEOAGH18119.4°60.0°
OAGPBECAMH16160.7°175.0°
OAGPBECAMH1741.9°55.0°
OAGPBEOADH19121.0°60.0°
OABCAUNBCCAO180.0°179.9°
OABCAUNBCCAP2.6°0.0°
OABCAUCALH14114.5°120.0°
OABCAUCALH15126.6°120.0°
CAUNBCCAOCAP177.7°180.0°
CAUNBCCAOCBA162.4°155.9°
CAUNBCCAPCBB138.8°178.9°
CAUNBCCAOH1278.3°85.3°
CAUNBCCAOH1343.2°36.9°
NBCCAUCALH1463.9°60.0°
NBCCAUCALH1555.0°60.0°
CAUNBCCAPH2021.3°61.7°
CAUNBCCAPH21103.7°59.5°
OAIPBFCAZOAF60.3°180.0°
OAIPBFCAZOAE117.2°120.0°
OAIPBFCAZOAJ122.1°120.0°
OAIPBFCAZCAN179.4°60.0°
OAIPBFOAEOAJ125.8°120.0°
OAIPBFOAJH50.0°60.0°
OAIPBFOAEH60.0°180.0°
OAIPBFCAZH759.1°60.1°
OAFCAZPBFCAN120.3°120.0°
OAFCAZPBFH7119.4°119.9°
OAFCAZCANH7124.1°120.0°
OAFCAZPBFOAE56.9°60.0°
OAFCAZPBFOAJ177.6°60.0°
OAFCAZCANOAT52.5°60.0°
OAFCAZCANH968.5°180.0°
OAFCAZCANH10173.5°60.0°
NBCCAOCBAH12119.3°118.8°
NBCCAOCBAH13119.3°119.0°
CAONBCCAPCBB39.0°1.0°
NBCCAOCBAOAT136.2°155.1°
NBCCAOCBACBB16.3°37.0°
NBCCAOCBAH11101.4°81.1°
NBCCAOH12H13122.2°122.4°
CAONBCCAPH20156.5°118.4°
CAONBCCAPH2178.5°120.4°
CAPNBCCAOCBA15.3°24.1°
NBCCAPCBBH20117.5°119.4°
NBCCAPCBBH21117.5°119.4°
NBCCAPCBBCBA49.8°22.2°
NBCCAPCBBN9174.6°140.5°
CAPNBCCAOH12104.0°94.7°
CAPNBCCAOH13134.5°143.0°
NBCCAPH20H21127.0°121.1°
NBCCAPCBBH2258.4°96.1°
CAOCBACBBCAP42.8°35.5°
CAOCBAOATCBB111.4°112.2°
CAOCBAOATH11121.7°124.0°
CAOCBACBBH11117.8°118.1°
CAOCBAOATCAN113.8°97.8°
CAOCBACBBN9178.0°153.8°
CBACAOH12H13122.1°122.2°
CAOCBACBBH2265.3°82.9°
PBFCAZCANH7118.2°120.0°
CAZPBFOAEOAJ120.6°120.0°
PBFCAZCANOAT170.3°60.0°
CAZPBFOAJH5117.3°180.0°
CAZPBFOAEH6113.7°60.1°
PBFCAZOAFH8180.0°60.0°
PBFCAZCANH949.3°60.0°
PBFCAZCANH1068.7°180.0°
CANCAZPBFOAE63.4°60.0°
CANCAZPBFOAJ57.3°180.0°
CAZCANOATCBA75.6°180.0°
CAZCANOATH9121.0°120.0°
CAZCANOATH10121.0°120.0°
CANCAZOAFH858.3°60.0°
CAZCANH9H10116.8°120.0°
OAEPBFOAJH5124.4°60.0°
OAEPBFCAZH7176.3°180.0°
OAJPBFOAEH6125.8°59.9°
OAJPBFCAZH763.0°59.9°
CAPCBBCBAOAT157.4°153.6°
CAPCBBCBAN9139.2°118.4°
CAPCBBCBAH22108.1°118.4°
CAPCBBN9H22116.1°123.3°
CAPCBBN9C8119.2°53.4°
CAPCBBN9C462.8°126.5°
CAPCBBCBAH1174.9°82.6°
CBBCAPH20H21127.0°121.1°
OATCBACBBH11127.6°123.8°
OATCBACBBN963.4°88.0°
CBAOATCANH945.4°60.0°
CBAOATCANH10163.4°60.0°
OATCBACAOH12104.6°36.3°
OATCBACAOH1316.9°85.9°
OATCBACBBH2249.3°35.3°
CBBCBAOATCAN134.9°150.0°
CBACBBN9H22112.7°123.2°
CBACBBN9C812.0°60.1°
CBACBBN9C4166.0°120.0°
CBBCBACAOH12135.6°81.8°
CBBCBACAOH13102.9°156.0°
CBACBBCAPH20167.3°141.6°
CBACBBCAPH2167.7°97.2°
OATCANCAZH771.6°180.0°
OATCANH9H10116.8°120.0°
CANOATCBAH117.9°26.2°
CBBN9C8C4178.1°179.9°
CBBN9C4N31.3°0.2°
CBBN9C8N7179.7°179.8°
CBBN9C4C5179.4°180.0°
CBBN9C8H10.3°0.2°
N9CBBCBAH1164.2°35.7°
N9CBBCAPH2057.1°100.1°
N9CBBCAPH2167.9°21.1°
C8N9C4N3179.6°179.7°
N9C8N7H1180.0°179.6°
C8N9C4C51.1°0.0°
N9C8N7C51.5°0.4°
C8N9CBBH22124.7°176.7°
N9C4N3C5179.2°179.7°
N9C4N3C2179.5°179.7°
C4N9C8N71.6°0.3°
N9C4C5N70.1°0.2°
N9C4C5C6178.9°179.8°
C4N9C8H1178.4°179.9°
C4N9CBBH2253.3°3.2°
C4N3C2N2179.3°180.0°
C4N3C2N11.1°0.0°
N3C4C5N7179.5°180.0°
N3C4C5C61.7°0.0°
C2N3C4C51.3°0.0°
N3C2N2N1179.6°179.9°
N3C2N1C61.4°0.0°
N3C2N2H20.0°0.0°
N3C2N2H3180.0°180.0°
N3C2N1H23178.5°180.0°
C8N7C5C40.8°0.4°
C8N7C5C6177.7°179.6°
C4C5N7C6178.5°180.0°
C4C5C6N12.0°0.0°
C4C5C6O6179.5°180.0°
N2C2N1C6179.0°180.0°
C2N2H2H3180.0°180.0°
N2C2N1H231.0°0.0°
C2N1C6C51.9°0.0°
C2N1C6H23180.0°180.0°
C2N1C6O6179.6°179.9°
N1C2N2H2179.5°179.9°
N1C2N2H30.4°0.1°
N7C5C6N1179.6°180.0°
N7C5C6O61.1°0.0°
C5N7C8H1178.6°180.0°
C5C6N1O6178.5°179.9°
C5C6N1H23178.1°180.0°
O6C6N1H230.4°0.1°
H7CAZOAFH864.5°179.9°
H7CAZCANH9167.4°60.0°
H7CAZCANH1049.5°60.0°
H11CBACAOH1217.9°160.1°
H11CBACAOH13139.3°38.0°
H11CBACBBH22177.0°159.0°
H14CALCAMH1641.8°NaN°
H14CALCAMH1777.0°60.0°
H15CALCAMH1677.1°60.0°
H15CALCAMH17164.1°180.0°
H20CAPCBBH2259.1°23.2°
H21CAPCBBH22175.9°144.4°

222624

PDB entries from 2024-07-17

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