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SHP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.47Å1.49Å
NHsing1.01Å1.02Å
NH2sing1.01Å1.02Å
CACsing1.51Å1.56Å
CAC1Bsing1.51Å1.56Å
CAHAsing1.09Å1.12Å
COdoub1.21Å1.23Å
COXTsing1.34Å1.34Å
OXTHXTsing0.97Å0.95Å
C1BC2Bdoub1.38Å1.40ÅAromatic
C1BC6Bsing1.38Å1.41ÅAromatic
C2BC3Bsing1.38Å1.39ÅAromatic
C2BH2Bsing1.08Å1.10Å
C3BC4Bdoub1.39Å1.39ÅAromatic
C3BH3Bsing1.08Å1.10Å
C4BO4Bsing1.36Å1.39Å
C4BC5Bsing1.39Å1.40ÅAromatic
O4BC1sing1.43Å1.45Å
C5BC6Bdoub1.38Å1.39ÅAromatic
C5BH5Bsing1.08Å1.10Å
C6BH6'sing1.08Å1.10Å
C1C2sing1.53Å1.55Å
C1O5sing1.43Å1.46Å
C1H1sing1.09Å1.11Å
C2C3sing1.53Å1.55Å
C2O1sing1.43Å1.46Å
C2HC2sing1.09Å1.12Å
C3C4sing1.53Å1.55Å
C3O3sing1.43Å1.42Å
C3H3sing1.09Å1.12Å
C4C5sing1.53Å1.56Å
C4O4sing1.43Å1.43Å
C4H4sing1.09Å1.11Å
C5C6sing1.53Å1.55Å
C5O5sing1.43Å1.47Å
C5H5sing1.09Å1.12Å
C6O6sing1.43Å1.43Å
C6H61sing1.09Å1.11Å
C6H62sing1.09Å1.12Å
O1C1'sing1.43Å1.45Å
O3HO3sing0.97Å0.95Å
O4HO4sing0.97Å0.95Å
O6HO6sing0.97Å0.95Å
C1'C2'sing1.53Å1.55Å
C1'O5'sing1.43Å1.46Å
C1'H1'sing1.09Å1.12Å
C2'C3'sing1.53Å1.55Å
C2'O2'sing1.43Å1.42Å
C2'H2'sing1.09Å1.12Å
C3'C4'sing1.53Å1.54Å
C3'O3'sing1.43Å1.43Å
C3'H3'sing1.09Å1.11Å
C4'C5'sing1.53Å1.55Å
C4'O4'sing1.43Å1.42Å
C4'H4'sing1.09Å1.12Å
C5'C6'sing1.53Å1.54Å
C5'O5'sing1.43Å1.46Å
C5'H5'sing1.09Å1.11Å
C6'O6'sing1.43Å1.42Å
C6'H6'1sing1.09Å1.11Å
C6'H6'2sing1.09Å1.12Å
O2'HO2'sing0.97Å0.95Å
O3'HO3'sing0.97Å0.95Å
O4'HO4'sing0.97Å0.95Å
O6'HO6'sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANH109.9°106.7°
CANH2112.0°106.7°
NCAC109.9°109.5°
NCAC1B118.5°109.4°
NCAHA103.0°109.5°
HNH2112.1°106.7°
CCAC1B110.8°109.5°
CCAHA112.1°109.5°
CACO121.1°120.0°
CACOXT116.5°120.0°
C1BCAHA101.9°109.5°
CAC1BC2B118.3°119.9°
CAC1BC6B123.0°120.0°
OCOXT122.4°120.1°
COXTHXT116.5°120.0°
C2BC1BC6B118.6°120.0°
C1BC2BC3B120.6°120.1°
C1BC2BH2B120.2°119.9°
C1BC6BC5B120.6°120.1°
C1BC6BH6'120.2°119.9°
C3BC2BH2B119.2°120.0°
C2BC3BC4B120.5°119.9°
C2BC3BH3B119.8°120.0°
C4BC3BH3B119.7°120.1°
C3BC4BO4B115.8°120.0°
C3BC4BC5B119.4°119.9°
O4BC4BC5B124.7°120.1°
C4BO4BC1122.7°106.8°
C4BC5BC6B120.2°119.9°
C4BC5BH5B120.3°120.0°
O4BC1C2109.1°109.3°
O4BC1O5108.1°109.4°
O4BC1H1111.0°109.4°
C6BC5BH5B119.5°120.1°
C5BC6BH6'119.2°120.0°
C2C1O5110.5°109.7°
C2C1H1108.6°109.4°
C1C2C3110.5°109.1°
C1C2O1110.0°109.6°
C1C2HC2108.0°109.4°
O5C1H1109.5°109.5°
C1O5C5118.4°107.7°
C3C2O1108.1°109.6°
C3C2HC2109.9°109.6°
C2C3C4112.9°108.7°
C2C3O3108.7°109.8°
C2C3H3107.6°109.6°
O1C2HC2110.4°109.5°
C2O1C1'117.2°106.8°
C4C3O3109.5°109.6°
C4C3H3106.9°109.6°
C3C4C5113.1°109.0°
C3C4O4108.7°109.7°
C3C4H4107.3°109.5°
O3C3H3111.3°109.6°
C3O3HO3108.7°106.8°
C5C4O4108.7°109.6°
C5C4H4107.3°109.5°
C4C5C6116.1°109.4°
C4C5O5111.1°109.8°
C4C5H5103.6°109.4°
O4C4H4111.8°109.5°
C4O4HO4108.7°106.9°
C6C5O5109.9°109.4°
C6C5H5105.1°109.4°
C5C6O6111.7°109.5°
C5C6H61111.3°109.5°
C5C6H62111.3°109.4°
O5C5H5110.7°109.4°
O6C6H61111.4°109.5°
O6C6H62111.4°109.5°
C6O6HO6111.7°106.8°
H61C6H6299.1°109.4°
O1C1'C2'110.7°109.5°
O1C1'O5'108.9°109.4°
O1C1'H1'110.1°109.4°
C2'C1'O5'112.4°109.8°
C2'C1'H1'106.4°109.4°
C1'C2'C3'112.1°109.1°
C1'C2'O2'110.0°109.7°
C1'C2'H2'107.2°109.5°
O5'C1'H1'108.3°109.4°
C1'O5'C5'120.3°107.6°
C3'C2'O2'109.3°109.5°
C3'C2'H2'108.0°109.5°
C2'C3'C4'112.7°108.6°
C2'C3'O3'109.5°109.7°
C2'C3'H3'107.0°109.6°
O2'C2'H2'110.2°109.5°
C2'O2'HO2'110.0°106.8°
C4'C3'O3'108.8°109.6°
C4'C3'H3'107.8°109.6°
C3'C4'C5'110.7°109.0°
C3'C4'O4'107.9°109.6°
C3'C4'H4'110.3°109.5°
O3'C3'H3'111.0°109.6°
C3'O3'HO3'109.6°106.8°
C5'C4'O4'111.3°109.6°
C5'C4'H4'106.9°109.6°
C4'C5'C6'112.6°109.3°
C4'C5'O5'110.1°109.8°
C4'C5'H5'105.9°109.5°
O4'C4'H4'109.8°109.6°
C4'O4'HO4'107.9°106.8°
C6'C5'O5'106.4°109.4°
C6'C5'H5'109.7°109.4°
C5'C6'O6'109.6°109.4°
C5'C6'H6'1112.2°109.5°
C5'C6'H6'2112.1°109.5°
O5'C5'H5'112.2°109.4°
O6'C6'H6'1112.2°109.5°
O6'C6'H6'2112.2°109.5°
C6'O6'HO6'109.6°106.8°
H6'1C6'H6'298.3°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANHH2125.2°113.8°
NCACC1B132.9°120.0°
NCACHA114.0°120.0°
NCAC1BHA112.2°120.0°
NCACO61.5°30.0°
NCACOXT119.2°150.0°
NCAC1BC2B155.8°120.0°
NCAC1BC6B21.1°59.8°
HNCAC180.0°60.0°
HNCAC1B51.1°60.0°
HNCAHA60.4°180.0°
H2NCAC54.8°173.8°
H2NCAC1B74.1°53.8°
H2NCAHA174.4°66.2°
CCAC1BHA119.4°120.0°
CACOOXT179.2°179.9°
CACOXTHXT180.0°180.0°
CCAC1BC2B75.8°120.0°
CCAC1BC6B107.4°60.3°
C1BCACO71.4°90.0°
C1BCACOXT107.9°90.0°
CAC1BC2BC6B177.0°179.7°
CAC1BC2BC3B177.0°180.0°
CAC1BC2BH2B3.0°0.1°
CAC1BC6BC5B176.4°179.7°
CAC1BC6BH6'3.6°0.2°
HACACO175.5°150.0°
HACACOXT5.2°30.0°
HACAC1BC2B43.6°0.0°
HACAC1BC6B133.2°179.7°
OCOXTHXT0.7°0.0°
C1BC2BC3BH2B180.0°180.0°
C1BC2BC3BC4B0.5°0.1°
C1BC2BC3BH3B179.5°180.0°
C2BC1BC6BC5B0.4°0.6°
C2BC1BC6BH6'179.6°179.9°
C6BC1BC2BC3B0.0°0.3°
C6BC1BC2BH2B180.0°179.7°
C1BC6BC5BC4B1.3°0.6°
C1BC6BC5BH6'180.0°179.5°
C1BC6BC5BH5B178.7°179.7°
C2BC3BC4BH3B180.0°180.0°
C2BC3BC4BO4B178.6°180.0°
C2BC3BC4BC5B1.4°0.1°
H2BC2BC3BC4B179.5°179.9°
H2BC2BC3BH3B0.5°0.0°
C3BC4BO4BC5B177.0°179.9°
C3BC4BO4BC1142.2°174.3°
C3BC4BC5BC6B1.8°0.4°
C3BC4BC5BH5B178.2°180.0°
H3BC3BC4BO4B1.4°0.0°
H3BC3BC4BC5B178.6°180.0°
O4BC4BC5BC6B178.7°179.7°
O4BC4BC5BH5B1.3°0.0°
C4BO4BC1C2126.2°167.1°
C4BO4BC1O5113.6°72.7°
C4BO4BC1H16.6°47.3°
C5BC4BO4BC140.8°5.7°
C4BC5BC6BH5B180.0°179.7°
C4BC5BC6BH6'178.7°179.9°
O4BC1C2O5118.7°120.0°
O4BC1C2H1121.1°119.8°
O4BC1O5H1121.1°119.9°
O4BC1C2C3172.6°58.8°
O4BC1C2O168.1°178.8°
O4BC1C2HC252.4°61.1°
O4BC1O5C5175.4°52.4°
H5BC5BC6BH6'1.3°0.2°
C2C1O5H1119.6°120.1°
C1C2C3O1120.4°120.0°
C1C2C3HC2119.1°119.8°
C1C2O1HC2119.1°120.1°
C1C2C3C451.8°53.7°
C1C2C3O369.9°173.6°
C1C2C3H3169.5°66.0°
C2C1O5C556.1°67.5°
C1C2O1C1'105.7°140.6°
O5C1C2C353.9°61.2°
O5C1C2O1173.1°58.7°
O5C1C2HC266.3°178.9°
C1O5C5C450.8°67.6°
C1O5C5C679.0°172.3°
C1O5C5H5165.4°52.5°
H1C1C2C366.3°178.6°
H1C1C2O152.9°61.4°
H1C1C2HC2173.5°58.7°
H1C1O5C563.5°172.3°
C3C2O1HC2120.2°120.2°
C2C3C4O3121.3°119.9°
C2C3C4H3118.1°119.7°
C2C3O3H3118.4°120.4°
C2C3C4C547.5°53.7°
C2C3C4O473.2°173.6°
C2C3C4H4165.7°66.1°
C3C2O1C1'133.6°99.7°
C2C3O3HO3180.0°179.2°
O1C2C3C4172.2°66.3°
O1C2C3O350.5°53.6°
O1C2C3H370.1°174.1°
C2O1C1'C2'89.6°169.3°
C2O1C1'O5'146.3°70.3°
C2O1C1'H1'27.7°49.5°
HC2C2C3C467.3°173.5°
HC2C2C3O3171.0°66.6°
HC2C2C3H350.4°53.9°
HC2C2O1C1'13.4°20.6°
C4C3O3H3117.9°120.3°
C3C4C5O4120.8°120.1°
C3C4C5H4118.2°119.8°
C3C4O4H4118.3°120.3°
C3C4C5C681.9°178.7°
C3C4C5O544.5°61.2°
C3C4C5H5163.4°58.9°
C4C3O3HO356.2°60.0°
C3C4O4HO4180.0°179.5°
O3C3C4C573.7°173.6°
O3C3C4O4165.5°66.4°
O3C3C4H444.5°53.8°
H3C3C4C5165.7°66.1°
H3C3C4O444.9°53.9°
H3C3C4H476.1°174.2°
H3C3O3HO361.6°60.3°
C5C4O4H4118.3°120.1°
C4C5C6O5127.1°120.3°
C4C5C6H5113.8°119.8°
C4C5O5H5114.6°120.1°
C4C5C6O659.9°179.7°
C4C5C6H6165.4°59.6°
C4C5C6H62174.9°60.3°
C5C4O4HO456.5°59.9°
O4C4C5C6157.3°58.6°
O4C4C5O576.2°178.7°
O4C4C5H542.7°61.1°
H4C4C5C636.2°61.5°
H4C4C5O5162.7°58.6°
H4C4C5H578.4°178.7°
H4C4O4HO461.7°60.2°
C6C5O5H5115.6°119.8°
C5C6O6H61125.2°120.0°
C5C6O6H62125.2°120.0°
C5C6H61H62117.2°119.9°
C5C6O6HO6180.0°180.0°
O5C5C6O6173.1°60.0°
O5C5C6H6161.7°180.0°
O5C5C6H6247.8°60.0°
H5C5C6O654.0°59.9°
H5C5C6H61179.2°60.2°
H5C5C6H6271.3°179.9°
O6C6H61H62117.3°120.1°
H61C6O6HO654.8°60.0°
H62C6O6HO654.8°60.0°
O1C1'C2'O5'122.0°120.1°
O1C1'C2'H1'119.6°119.9°
O1C1'O5'H1'119.8°119.9°
O1C1'C2'C3'78.6°58.8°
O1C1'C2'O2'159.6°178.7°
O1C1'C2'H2'39.7°61.1°
O1C1'O5'C5'75.7°52.5°
C2'C1'O5'H1'117.3°120.0°
C1'C2'C3'O2'122.2°120.0°
C1'C2'C3'H2'117.9°119.8°
C1'C2'O2'H2'118.0°120.2°
C1'C2'C3'C4'49.1°53.8°
C1'C2'C3'O3'170.4°173.6°
C1'C2'C3'H3'69.2°66.0°
C2'C1'O5'C5'47.3°67.6°
C1'C2'O2'HO2'180.0°60.3°
O5'C1'C2'C3'43.3°61.3°
O5'C1'C2'O2'78.5°58.6°
O5'C1'C2'H2'161.7°178.8°
C1'O5'C5'C4'51.9°67.6°
C1'O5'C5'C6'174.2°172.4°
C1'O5'C5'H5'65.8°52.5°
H1'C1'C2'C3'161.7°178.7°
H1'C1'C2'O2'39.9°61.4°
H1'C1'C2'H2'79.9°58.8°
H1'C1'O5'C5'164.6°172.4°
C3'C2'O2'H2'118.5°120.2°
C2'C3'C4'O3'121.7°119.9°
C2'C3'C4'H3'117.8°119.7°
C2'C3'O3'H3'118.0°120.4°
C2'C3'C4'C5'54.0°53.7°
C2'C3'C4'O4'176.0°173.6°
C2'C3'C4'H4'64.1°66.2°
C3'C2'O2'HO2'56.5°180.0°
C2'C3'O3'HO3'180.0°60.8°
O2'C2'C3'C4'73.1°66.3°
O2'C2'C3'O3'48.2°53.6°
O2'C2'C3'H3'168.6°174.0°
H2'C2'C3'C4'167.1°173.6°
H2'C2'C3'O3'71.7°66.6°
H2'C2'C3'H3'48.7°53.9°
H2'C2'O2'HO2'62.0°59.9°
C4'C3'O3'H3'118.5°120.4°
C3'C4'C5'O4'120.0°119.9°
C3'C4'C5'H4'120.1°119.8°
C3'C4'O4'H4'120.2°120.2°
C3'C4'C5'C6'171.3°178.7°
C3'C4'C5'O5'52.7°61.3°
C3'C4'C5'H5'68.9°58.9°
C4'C3'O3'HO3'56.4°180.0°
C3'C4'O4'HO4'180.0°60.4°
O3'C3'C4'C5'175.7°173.6°
O3'C3'C4'O4'62.3°66.5°
O3'C3'C4'H4'57.6°53.7°
H3'C3'C4'C5'63.8°66.0°
H3'C3'C4'O4'58.2°53.9°
H3'C3'C4'H4'178.1°174.1°
H3'C3'O3'HO3'62.0°59.6°
C5'C4'O4'H4'118.1°120.3°
C4'C5'C6'O5'120.7°120.3°
C4'C5'C6'H5'117.7°119.8°
C4'C5'O5'H5'117.7°120.2°
C4'C5'C6'O6'175.2°174.7°
C4'C5'C6'H6'159.5°54.8°
C4'C5'C6'H6'250.0°65.2°
C5'C4'O4'HO4'58.3°180.0°
O4'C4'C5'C6'68.7°58.8°
O4'C4'C5'O5'172.7°178.8°
O4'C4'C5'H5'51.2°61.0°
H4'C4'C5'C6'51.1°61.5°
H4'C4'C5'O5'67.5°58.6°
H4'C4'C5'H5'171.0°178.7°
H4'C4'O4'HO4'59.8°59.7°
C6'C5'O5'H5'119.9°119.8°
C5'C6'O6'H6'1125.3°120.0°
C5'C6'O6'H6'2125.2°120.0°
C5'C6'H6'1H6'2118.0°120.0°
C5'C6'O6'HO6'180.0°180.0°
O5'C5'C6'O6'54.5°65.0°
O5'C5'C6'H6'1179.8°175.1°
O5'C5'C6'H6'270.7°55.0°
H5'C5'C6'O6'67.1°54.9°
H5'C5'C6'H6'158.3°65.1°
H5'C5'C6'H6'2167.7°174.9°
O6'C6'H6'1H6'2118.1°120.0°
H6'1C6'O6'HO6'54.7°60.1°
H6'2C6'O6'HO6'54.8°60.0°

224931

PDB entries from 2024-09-11

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