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HET

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N9AC8Asing1.36Å1.34ÅAromatic
N9AC4Asing1.37Å1.43ÅAromatic
N9AC1Asing1.47Å1.47Å
C8AN7Adoub1.30Å1.32ÅAromatic
C8AH8Asing1.08Å1.08Å
N7AC5Asing1.35Å1.44ÅAromatic
C5AC6Asing1.41Å1.39ÅAromatic
C5AC4Adoub1.41Å1.51ÅAromatic
C6AN6Asing1.38Å1.33Å
C6AN1Adoub1.33Å1.34ÅAromatic
N6ACR1sing1.40Å1.25Å
N6AH6Asing0.97Å1.00Å
N1AC2Asing1.32Å1.34ÅAromatic
C2AN3Adoub1.32Å1.36ÅAromatic
C2ACS1sing1.51Å1.48Å
N3AC4Asing1.33Å1.35ÅAromatic
C1ACT0sing1.53Å1.46Å
C1AH1A1sing1.09Å1.10Å
C1AH1A2sing1.09Å1.10Å
CT0CT1sing1.51Å1.54Å
CT0HT01sing1.09Å1.10Å
CT0HT02sing1.09Å1.10Å
CT1CT2sing1.38Å1.44ÅAromatic
CT1CT6doub1.38Å1.46ÅAromatic
CT2CT3doub1.38Å1.45ÅAromatic
CT2HT2sing1.08Å1.08Å
CT3CT4sing1.38Å1.44ÅAromatic
CT3HT3sing1.08Å1.08Å
CT4CT5doub1.39Å1.44ÅAromatic
CT4HT4sing1.08Å1.08Å
CT5CT6sing1.39Å1.43ÅAromatic
CT5OHsing1.36Å1.36Å
CT6HT6sing1.08Å1.08Å
OHHOHsing0.97Å0.95Å
CR1CR2sing1.39Å1.41ÅAromatic
CR1CR6doub1.39Å1.44ÅAromatic
CR2CR3doub1.38Å1.39ÅAromatic
CR2HR2sing1.08Å1.08Å
CR3CR4sing1.38Å1.41ÅAromatic
CR3HR3sing1.08Å1.08Å
CR4CR5doub1.38Å1.41ÅAromatic
CR4PAsing1.81Å1.80Å
CR5CR6sing1.38Å1.40ÅAromatic
CR5HR5sing1.08Å1.08Å
CR6HR6sing1.08Å1.08Å
PAOA1doub1.48Å1.55Å
PACA2sing1.82Å1.55Å
PACA3sing1.82Å1.50Å
CA2HA21sing1.09Å1.10Å
CA2HA22sing1.09Å1.10Å
CA2HA23sing1.09Å1.10Å
CA3HA31sing1.09Å1.10Å
CA3HA32sing1.09Å1.10Å
CA3HA33sing1.09Å1.10Å
CS1CS2sing1.54Å1.57Å
CS1CS5sing1.54Å1.54Å
CS1HS1sing1.09Å1.10Å
CS2CS3sing1.54Å1.54Å
CS2HS21sing1.09Å1.10Å
CS2HS22sing1.09Å1.10Å
CS3CS4sing1.55Å1.53Å
CS3HS31sing1.09Å1.10Å
CS3HS32sing1.09Å1.10Å
CS4CS5sing1.55Å1.55Å
CS4HS41sing1.09Å1.10Å
CS4HS42sing1.09Å1.10Å
CS5HS51sing1.09Å1.10Å
CS5HS52sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C8AN9AC4A118.0°107.4°
C8AN9AC1A126.4°126.3°
N9AC8AN7A102.7°110.0°
N9AC8AH8A128.6°125.0°
C4AN9AC1A115.6°126.3°
N9AC4AC5A100.6°106.0°
N9AC4AN3A140.3°134.9°
N9AC1ACT0114.3°109.5°
N9AC1AH1A1106.8°109.5°
N9AC1AH1A2107.9°109.5°
N7AC8AH8A128.7°125.0°
C8AN7AC5A116.5°109.4°
N7AC5AC6A141.0°134.7°
N7AC5AC4A102.2°107.2°
C6AC5AC4A116.7°118.2°
C5AC6AN6A118.4°120.8°
C5AC6AN1A117.7°118.4°
C5AC4AN3A119.1°119.1°
N6AC6AN1A123.9°120.8°
C6AN6ACR1133.6°120.0°
C6AN6AH6A113.2°120.0°
C6AN1AC2A126.7°121.2°
CR1N6AH6A113.2°120.0°
N6ACR1CR2127.0°120.1°
N6ACR1CR6113.5°120.1°
N1AC2AN3A118.5°122.5°
N1AC2ACS1124.2°118.8°
N3AC2ACS1117.3°118.7°
C2AN3AC4A121.2°120.7°
C2ACS1CS2109.1°110.0°
C2ACS1CS5113.6°110.0°
C2ACS1HS1106.0°110.0°
CT0C1AH1A1106.8°109.5°
CT0C1AH1A2107.9°109.5°
C1ACT0CT1109.5°109.5°
C1ACT0HT01109.4°109.4°
C1ACT0HT02109.5°109.5°
H1A1C1AH1A2113.3°109.5°
CT1CT0HT01109.5°109.5°
CT1CT0HT02109.5°109.5°
CT0CT1CT2118.5°120.0°
CT0CT1CT6121.4°119.9°
HT01CT0HT02109.5°109.5°
CT2CT1CT6120.1°120.1°
CT1CT2CT3119.5°120.1°
CT1CT2HT2120.3°120.0°
CT1CT6CT5120.2°119.9°
CT1CT6HT6119.9°120.1°
CT3CT2HT2120.3°120.0°
CT2CT3CT4119.8°120.1°
CT2CT3HT3120.1°119.9°
CT4CT3HT3120.1°120.0°
CT3CT4CT5121.2°120.0°
CT3CT4HT4119.4°120.0°
CT5CT4HT4119.4°120.0°
CT4CT5CT6119.3°119.9°
CT4CT5OH120.1°120.1°
CT6CT5OH120.6°120.0°
CT5CT6HT6119.9°120.0°
CT5OHHOH109.5°106.8°
CR2CR1CR6119.5°119.8°
CR1CR2CR3120.3°119.9°
CR1CR2HR2119.9°120.0°
CR1CR6CR5120.2°119.9°
CR1CR6HR6119.9°120.0°
CR3CR2HR2119.9°120.0°
CR2CR3CR4119.7°120.1°
CR2CR3HR3120.2°119.9°
CR4CR3HR3120.2°120.0°
CR3CR4CR5121.5°120.2°
CR3CR4PA120.0°119.9°
CR5CR4PA118.6°119.9°
CR4CR5CR6118.9°120.1°
CR4CR5HR5120.6°119.9°
CR4PAOA1103.2°109.5°
CR4PACA2100.9°109.5°
CR4PACA3112.0°109.5°
CR6CR5HR5120.5°120.0°
CR5CR6HR6119.9°120.0°
OA1PACA2114.9°109.4°
OA1PACA3114.5°109.5°
CA2PACA3110.3°109.5°
PACA2HA21109.5°109.4°
PACA2HA22109.5°109.5°
PACA2HA23109.5°109.5°
PACA3HA31109.5°109.5°
PACA3HA32109.5°109.4°
PACA3HA33109.5°109.5°
HA21CA2HA22109.5°109.5°
HA21CA2HA23109.4°109.5°
HA22CA2HA23109.5°109.5°
HA31CA3HA32109.5°109.4°
HA31CA3HA33109.5°109.6°
HA32CA3HA33109.5°109.4°
CS2CS1CS5106.5°106.6°
CS2CS1HS1113.2°110.0°
CS1CS2CS3108.4°106.6°
CS1CS2HS21110.1°110.0°
CS1CS2HS22109.8°110.0°
CS5CS1HS1108.6°110.1°
CS1CS5CS4106.6°104.2°
CS1CS5HS51111.1°110.5°
CS1CS5HS52110.4°110.5°
CS3CS2HS21110.1°110.0°
CS3CS2HS22109.8°110.1°
CS2CS3CS4107.0°104.2°
CS2CS3HS31110.9°110.5°
CS2CS3HS32110.3°110.4°
HS21CS2HS22108.6°110.1°
CS4CS3HS31110.9°110.5°
CS4CS3HS32110.3°110.6°
CS3CS4CS5108.7°102.7°
CS3CS4HS41109.9°110.8°
CS3CS4HS42109.7°110.7°
HS31CS3HS32107.5°110.5°
CS5CS4HS41109.9°110.8°
CS5CS4HS42109.7°110.8°
CS4CS5HS51111.1°110.5°
CS4CS5HS52110.5°110.5°
HS41CS4HS42108.9°110.8°
HS51CS5HS52107.2°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C8AN9AC4AC1A179.6°180.0°
N9AC8AN7AH8A180.0°180.0°
N9AC8AN7AC5A0.1°0.3°
C8AN9AC4AC5A0.8°0.2°
C8AN9AC4AN3A179.9°180.0°
C8AN9AC1ACT0121.4°95.0°
C8AN9AC1AH1A13.5°25.0°
C8AN9AC1AH1A2118.7°145.0°
C4AN9AC8AN7A0.6°0.0°
C4AN9AC8AH8A179.4°180.0°
N9AC4AC5AN7A0.6°0.4°
N9AC4AC5AC6A178.9°179.7°
N9AC4AC5AN3A179.5°179.8°
N9AC4AN3AC2A179.3°180.0°
C4AN9AC1ACT058.2°85.0°
C4AN9AC1AH1A1176.1°155.0°
C4AN9AC1AH1A261.8°35.0°
C1AN9AC8AN7A179.0°180.0°
C1AN9AC8AH8A1.1°0.0°
C1AN9AC4AC5A178.8°179.8°
C1AN9AC4AN3A0.5°0.0°
N9AC1ACT0H1A1117.9°120.0°
N9AC1ACT0H1A2120.0°120.0°
N9AC1AH1A1H1A2118.6°120.0°
N9AC1ACT0CT1179.2°180.0°
N9AC1ACT0HT0160.8°60.0°
N9AC1ACT0HT0259.3°60.0°
C8AN7AC5AC6A178.9°179.5°
C8AN7AC5AC4A0.3°0.4°
H8AC8AN7AC5A179.9°179.7°
N7AC5AC6AC4A179.2°179.1°
N7AC5AC6AN6A0.5°0.7°
N7AC5AC6AN1A179.9°179.6°
N7AC5AC4AN3A179.9°179.8°
C5AC6AN6AN1A179.3°179.7°
C5AC6AN6ACR1178.1°174.3°
C5AC6AN6AH6A1.9°5.7°
C5AC6AN1AC2A0.1°0.3°
C6AC5AC4AN3A0.6°0.5°
C4AC5AC6AN6A178.7°179.7°
C4AC5AC6AN1A0.7°0.5°
C5AC4AN3AC2A0.0°0.2°
C6AN6ACR1H6A180.0°179.9°
N6AC6AN1AC2A179.2°180.0°
C6AN6ACR1CR2179.8°146.5°
C6AN6ACR1CR61.3°33.5°
N1AC6AN6ACR11.2°6.0°
N1AC6AN6AH6A178.8°174.0°
C6AN1AC2AN3A0.5°0.0°
C6AN1AC2ACS1179.3°180.0°
N6ACR1CR2CR6178.9°180.0°
N6ACR1CR2CR3178.8°180.0°
N6ACR1CR2HR21.1°0.0°
N6ACR1CR6CR5179.0°179.7°
N6ACR1CR6HR61.0°0.0°
H6AN6ACR1CR20.2°33.4°
H6AN6ACR1CR6178.7°146.6°
N1AC2AN3ACS1179.8°180.0°
N1AC2AN3AC4A0.6°0.1°
N1AC2ACS1CS248.2°60.0°
N1AC2ACS1CS570.5°57.2°
N1AC2ACS1HS1170.3°178.6°
N3AC2ACS1CS2131.6°120.0°
N3AC2ACS1CS5109.7°122.9°
N3AC2ACS1HS19.5°1.4°
CS1C2AN3AC4A179.2°180.0°
C2ACS1CS2CS5123.0°119.3°
C2ACS1CS2HS1117.7°121.4°
C2ACS1CS5HS1117.7°121.4°
C2ACS1CS2CS3132.9°119.3°
C2ACS1CS2HS21106.7°121.5°
C2ACS1CS2HS2212.9°0.0°
C2ACS1CS5CS4136.2°142.9°
C2ACS1CS5HS5115.1°24.2°
C2ACS1CS5HS52103.8°98.4°
CT0C1AH1A1H1A2118.7°120.0°
C1ACT0CT1HT01120.0°119.9°
C1ACT0CT1HT02120.0°120.0°
C1ACT0HT01HT02120.0°120.0°
C1ACT0CT1CT2119.6°90.0°
C1ACT0CT1CT660.1°90.3°
H1A1C1ACT0CT161.4°60.1°
H1A1C1ACT0HT01178.6°180.0°
H1A1C1ACT0HT0258.6°60.0°
H1A2C1ACT0CT160.8°60.0°
H1A2C1ACT0HT0159.2°60.0°
H1A2C1ACT0HT02179.2°180.0°
CT1CT0HT01HT02120.0°120.1°
CT0CT1CT2CT6179.6°179.7°
CT0CT1CT2CT3179.6°180.0°
CT0CT1CT2HT20.3°0.1°
CT0CT1CT6CT5179.6°179.8°
CT0CT1CT6HT60.4°0.2°
HT01CT0CT1CT2120.5°29.9°
HT01CT0CT1CT659.9°149.7°
HT02CT0CT1CT20.4°150.0°
HT02CT0CT1CT6179.9°29.7°
CT1CT2CT3HT2180.0°179.9°
CT1CT2CT3CT40.0°0.0°
CT1CT2CT3HT3180.0°179.9°
CT2CT1CT6CT50.0°0.5°
CT2CT1CT6HT6180.0°179.9°
CT6CT1CT2CT30.0°0.3°
CT6CT1CT2HT2180.0°179.7°
CT1CT6CT5CT40.0°0.4°
CT1CT6CT5HT6180.0°179.6°
CT1CT6CT5OH180.0°179.8°
CT2CT3CT4HT3180.0°179.9°
CT2CT3CT4CT50.0°0.1°
CT2CT3CT4HT4180.0°180.0°
HT2CT2CT3CT4180.0°180.0°
HT2CT2CT3HT30.0°0.0°
CT3CT4CT5HT4180.0°179.9°
CT3CT4CT5CT60.1°0.1°
CT3CT4CT5OH180.0°179.9°
HT3CT3CT4CT5180.0°180.0°
HT3CT3CT4HT40.0°0.1°
CT4CT5CT6OH179.9°179.8°
CT4CT5CT6HT6180.0°180.0°
CT4CT5OHHOH20.5°90.0°
HT4CT4CT5CT6179.9°179.8°
HT4CT4CT5OH0.0°0.0°
CT6CT5OHHOH159.6°89.8°
OHCT5CT6HT60.0°0.2°
CR1CR2CR3HR2180.0°180.0°
CR1CR2CR3CR40.1°0.0°
CR1CR2CR3HR3179.9°180.0°
CR2CR1CR6CR50.0°0.3°
CR2CR1CR6HR6180.0°180.0°
CR6CR1CR2CR30.1°0.0°
CR6CR1CR2HR2180.0°180.0°
CR1CR6CR5CR40.1°0.5°
CR1CR6CR5HR6180.0°179.8°
CR1CR6CR5HR5179.9°180.0°
CR2CR3CR4HR3180.0°180.0°
CR2CR3CR4CR50.3°0.2°
CR2CR3CR4PA179.3°180.0°
HR2CR2CR3CR4179.9°180.0°
HR2CR2CR3HR30.1°0.1°
CR3CR4CR5PA179.6°179.8°
CR3CR4CR5CR60.3°0.5°
CR3CR4CR5HR5179.7°180.0°
CR3CR4PAOA156.2°30.1°
CR3CR4PACA262.8°150.0°
CR3CR4PACA3179.9°90.0°
HR3CR3CR4CR5179.7°179.8°
HR3CR3CR4PA0.7°0.0°
CR4CR5CR6HR5180.0°179.6°
CR4CR5CR6HR6179.8°179.8°
CR5CR4PAOA1123.4°149.8°
CR5CR4PACA2117.6°29.8°
CR5CR4PACA30.3°90.2°
PACR4CR5CR6179.3°179.7°
PACR4CR5HR50.7°0.2°
CR4PAOA1CA2108.8°120.0°
CR4PAOA1CA3122.0°120.1°
CR4PACA2CA3118.5°120.1°
CR4PACA2HA2147.0°60.0°
CR4PACA2HA22167.0°59.9°
CR4PACA2HA2373.0°180.0°
CR4PACA3HA3137.7°180.0°
CR4PACA3HA32157.7°60.0°
CR4PACA3HA3382.3°59.9°
HR5CR5CR6HR60.1°0.2°
OA1PACA2CA3131.2°120.0°
OA1PACA2HA2163.3°180.0°
OA1PACA2HA2256.8°60.0°
OA1PACA2HA23176.8°60.0°
OA1PACA3HA31154.8°59.9°
OA1PACA3HA3285.2°60.0°
OA1PACA3HA3334.8°180.0°
PACA2HA21HA22120.0°120.0°
PACA2HA21HA23120.0°120.0°
PACA2HA22HA23120.0°120.1°
CA2PACA3HA3173.8°60.0°
CA2PACA3HA3246.2°180.0°
CA2PACA3HA33166.2°60.1°
CA3PACA2HA21165.5°60.0°
CA3PACA2HA2274.5°180.0°
CA3PACA2HA2345.6°59.9°
PACA3HA31HA32120.0°120.0°
PACA3HA31HA33120.0°120.0°
PACA3HA32HA33120.0°119.9°
HA21CA2HA22HA23120.0°120.0°
HA31CA3HA32HA33120.0°120.1°
CS2CS1CS5HS1122.2°119.3°
CS1CS2CS3HS21120.4°119.2°
CS1CS2CS3HS22120.0°119.3°
CS1CS2HS21HS22120.3°121.4°
CS1CS2CS3CS40.4°23.6°
CS1CS2CS3HS31121.3°142.3°
CS1CS2CS3HS32119.6°95.1°
CS2CS1CS5CS416.1°23.6°
CS2CS1CS5HS51105.1°95.0°
CS2CS1CS5HS52136.1°142.3°
CS5CS1CS2CS39.9°0.0°
CS5CS1CS2HS21130.3°119.2°
CS5CS1CS2HS22110.1°119.3°
CS1CS5CS4CS316.7°38.0°
CS1CS5CS4HS51121.1°118.7°
CS1CS5CS4HS52120.0°118.7°
CS1CS5CS4HS41103.5°80.4°
CS1CS5CS4HS42136.7°156.2°
CS1CS5HS51HS52120.7°122.6°
HS1CS1CS2CS3109.4°119.3°
HS1CS1CS2HS2111.0°0.1°
HS1CS1CS2HS22130.6°121.3°
HS1CS1CS5CS4106.1°95.7°
HS1CS1CS5HS51132.7°145.6°
HS1CS1CS5HS5213.9°23.0°
CS3CS2HS21HS22120.3°121.5°
CS2CS3CS4HS31121.0°118.7°
CS2CS3CS4HS32120.0°118.7°
CS2CS3HS31HS32120.7°122.5°
CS2CS3CS4CS510.5°37.9°
CS2CS3CS4HS41109.7°80.4°
CS2CS3CS4HS42130.6°156.2°
HS21CS2CS3CS4120.1°95.6°
HS21CS2CS3HS310.9°23.1°
HS21CS2CS3HS32119.9°145.6°
HS22CS2CS3CS4120.4°142.9°
HS22CS2CS3HS31118.6°98.4°
HS22CS2CS3HS320.4°24.1°
CS4CS3HS31HS32120.7°122.7°
CS3CS4CS5HS41120.3°118.3°
CS3CS4CS5HS42120.0°118.3°
CS3CS4HS41HS42120.2°123.3°
CS3CS4CS5HS51104.4°80.7°
CS3CS4CS5HS52136.7°156.7°
HS31CS3CS4CS5131.5°156.6°
HS31CS3CS4HS4111.2°38.3°
HS31CS3CS4HS42108.5°85.1°
HS32CS3CS4CS5109.5°80.7°
HS32CS3CS4HS41130.2°160.9°
HS32CS3CS4HS4210.5°37.6°
CS5CS4HS41HS42120.2°123.4°
CS4CS5HS51HS52120.8°122.6°
HS41CS4CS5HS51135.3°160.9°
HS41CS4CS5HS5216.5°38.3°
HS42CS4CS5HS5115.6°37.5°
HS42CS4CS5HS52103.3°85.1°

224004

PDB entries from 2024-08-21

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