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3NR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N4C3trip1.14Å1.14Å
C3C2sing1.43Å1.43Å
C2C5sing1.50Å1.49Å
C2C1doub1.32Å1.33Å
C17C1sing1.52Å1.53Å
C17C13sing1.53Å1.52Å
C5C6sing1.53Å1.54Å
C1C9sing1.50Å1.51Å
C10C9sing1.53Å1.51Å
C24C22sing1.53Å1.54Å
C24C25sing1.53Å1.53Å
C6C22sing1.52Å1.53Å
C6C8sing1.54Å1.53Å
C21C20sing1.53Å1.53Å
O15C13sing1.43Å1.43Å
C9C8sing1.52Å1.52Å
C9C11sing1.53Å1.54Å
C13C12sing1.53Å1.52Å
C22C20sing1.56Å1.56Å
C25C26doub1.34Å1.33Å
C8C18sing1.53Å1.52Å
C12C11sing1.53Å1.53Å
C20C26sing1.49Å1.49Å
C20C19sing1.51Å1.51Å
C18C19sing1.54Å1.53Å
C26C27sing1.48Å1.48Å
C27C32doub1.40Å1.40ÅAromatic
C27C28sing1.40Å1.39ÅAromatic
C32C31sing1.38Å1.38ÅAromatic
C28N29doub1.32Å1.32ÅAromatic
C31C30doub1.38Å1.38ÅAromatic
N29C30sing1.32Å1.32ÅAromatic
C5H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C6H3sing1.09Å1.10Å
C8H4sing1.09Å1.10Å
C10H5sing1.09Å1.10Å
C10H6sing1.09Å1.10Å
C10H7sing1.09Å1.10Å
C11H8sing1.09Å1.10Å
C11H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C13H12sing1.09Å1.10Å
O15H13sing0.97Å0.95Å
C17H14sing1.09Å1.10Å
C17H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
C19H18sing1.09Å1.10Å
C19H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H22sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
C24H24sing1.09Å1.10Å
C24H25sing1.09Å1.10Å
C25H26sing1.08Å1.08Å
C28H29sing1.08Å1.08Å
C30H30sing1.08Å1.08Å
C31H31sing1.08Å1.08Å
C32H32sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N4C3C2177.7°180.0°
C3C2C5118.7°118.7°
C3C2C1117.4°118.7°
C5C2C1123.6°122.6°
C2C5C6112.1°109.2°
C2C5H1108.8°109.5°
C2C5H2108.8°109.5°
C2C1C17117.9°118.4°
C2C1C9123.2°123.7°
C1C17C13107.5°108.6°
C17C1C9118.8°117.9°
C1C17H14110.0°109.7°
C1C17H15110.0°109.7°
C17C13O15111.1°109.5°
C17C13C12108.0°109.5°
C17C13H12109.2°109.4°
C13C17H14110.0°109.8°
C13C17H15110.0°109.4°
C5C6C22106.9°109.4°
C5C6C8108.8°108.2°
C6C5H1108.8°109.5°
C6C5H2108.8°109.5°
C5C6H3111.9°110.3°
C1C9C10110.6°108.2°
C1C9C8111.2°113.4°
C1C9C11111.5°109.5°
C10C9C8107.4°108.1°
C10C9C11106.9°107.5°
C9C10H5109.5°109.5°
C9C10H6109.5°109.5°
C9C10H7109.4°109.4°
C22C24C25101.1°101.7°
C24C22C6117.9°116.5°
C24C22C2096.9°98.2°
C24C22H23111.3°112.1°
C22C24H24111.5°111.0°
C22C24H25111.5°111.0°
C24C25C26109.2°109.8°
C25C24H24111.5°111.0°
C25C24H25111.5°110.9°
C24C25H26125.4°125.1°
C22C6C8104.9°107.3°
C6C22C20107.2°106.4°
C22C6H3112.1°110.3°
C6C22H23111.4°111.2°
C6C8C9111.2°110.5°
C6C8C18111.0°112.3°
C8C6H3112.0°111.2°
C6C8H4108.5°108.3°
C21C20C22108.1°108.6°
C21C20C26109.5°109.2°
C21C20C19109.7°109.3°
C20C21H20109.5°109.5°
C20C21H21109.5°109.4°
C20C21H22109.5°109.5°
O15C13C12109.1°109.5°
O15C13H12110.4°109.5°
C13O15H13109.5°114.0°
C8C9C11109.1°110.0°
C9C8C18108.7°109.6°
C9C8H4108.7°107.7°
C9C11C12111.1°109.4°
C9C11H8109.1°109.5°
C9C11H9109.1°109.5°
C13C12C11108.3°109.7°
C13C12H10109.8°109.4°
C13C12H11109.7°109.4°
C12C13H12109.0°109.5°
C22C20C26101.8°103.0°
C22C20C19109.1°107.0°
C20C22H23111.1°111.7°
C25C26C20109.0°108.6°
C25C26C27126.3°125.7°
C26C25H26125.4°125.1°
C8C18C19110.2°112.1°
C18C8H4108.7°108.3°
C8C18H16109.3°109.0°
C8C18H17109.3°109.0°
C12C11H8109.1°109.5°
C12C11H9109.1°109.5°
C11C12H10109.7°109.4°
C11C12H11109.7°109.4°
C26C20C19117.9°119.1°
C20C26C27124.7°125.7°
C20C19C18105.7°106.7°
C20C19H18110.4°110.0°
C20C19H19110.4°110.1°
C19C18H16109.3°108.9°
C19C18H17109.3°108.9°
C18C19H18110.4°110.0°
C18C19H19110.4°110.0°
C26C27C32120.2°120.6°
C26C27C28121.1°120.5°
C32C27C28118.7°118.9°
C27C32C31118.5°118.3°
C27C32H32120.7°120.9°
C27C28N29120.3°120.5°
C27C28H29119.9°119.7°
C32C31C30119.4°119.3°
C32C31H31120.3°120.4°
C31C32H32120.8°120.8°
C28N29C30122.6°121.9°
N29C28H29119.8°119.7°
C31C30N29120.5°121.0°
C31C30H30119.7°119.5°
C30C31H31120.3°120.3°
N29C30H30119.8°119.5°
H1C5H2109.5°109.5°
H5C10H6109.5°109.6°
H5C10H7109.5°109.4°
H6C10H7109.5°109.5°
H8C11H9109.4°109.5°
H10C12H11109.5°109.5°
H14C17H15109.5°109.7°
H16C18H17109.4°108.9°
H18C19H19109.5°110.0°
H20C21H21109.5°109.5°
H20C21H22109.5°109.5°
H21C21H22109.4°109.5°
H24C24H25109.5°110.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N4C3C2C593.2°172.7°
N4C3C2C180.6°7.3°
C3C2C5C1173.4°180.0°
C3C2C1C175.3°0.6°
C3C2C5C6169.1°153.6°
C3C2C1C9176.4°179.7°
C3C2C5H148.7°33.7°
C3C2C5H270.5°86.5°
C5C2C1C17178.8°179.3°
C2C5C6H1120.4°120.0°
C2C5C6H2120.4°119.9°
C5C2C1C92.9°0.4°
C2C5C6C22158.6°173.1°
C2C5C6C845.9°56.4°
C2C5H1H2118.8°120.1°
C2C5C6H378.4°65.5°
C2C1C17C9178.4°179.7°
C2C1C17C13132.1°128.7°
C1C2C5C617.5°26.4°
C2C1C9C10101.3°114.1°
C2C1C9C818.0°5.8°
C2C1C9C11139.9°129.0°
C1C2C5H1137.9°146.4°
C1C2C5H2102.9°93.5°
C2C1C17H1412.4°8.7°
C2C1C17H15108.2°111.8°
C1C17C13H14119.7°119.9°
C1C17C13H15119.7°119.7°
C17C1C9C1077.0°66.2°
C1C17C13O15179.2°175.0°
C17C1C9C8163.7°173.9°
C17C1C9C1141.8°50.7°
C1C17C13C1261.2°55.0°
C1C17C13H1257.2°65.0°
C1C17H14H15120.9°120.5°
C13C17C1C949.5°51.1°
C17C13O15C12119.0°120.0°
C17C13O15H12121.2°119.9°
C17C13C12H12118.5°119.9°
C17C13C12C1169.6°63.7°
C17C13C12H10170.6°56.3°
C17C13C12H1150.2°176.3°
C17C13O15H13180.0°179.9°
C13C17H14H15120.9°120.2°
C5C6C22C2472.8°70.0°
C5C6C22C8115.4°117.2°
C5C6C22H3122.9°121.5°
C5C6C8H3124.2°121.3°
C5C6C8C962.7°63.4°
C5C6C22C20179.4°178.2°
C5C6C8C18176.2°173.9°
C6C5H1H2118.8°120.1°
C5C6C8H456.8°54.3°
C5C6C22H2357.7°60.0°
C1C9C10C8121.5°123.2°
C1C9C10C11121.6°118.1°
C1C9C8C647.7°37.2°
C1C9C8C11123.4°122.9°
C1C9C8C18170.2°161.5°
C1C9C11C1245.6°54.1°
C1C9C8H471.7°80.9°
C1C9C10H5180.0°67.6°
C1C9C10H660.0°172.3°
C1C9C10H760.0°52.3°
C1C9C11H8165.8°174.1°
C1C9C11H974.7°65.8°
C9C1C17H14169.2°171.0°
C9C1C17H1570.2°68.4°
C10C9C8C673.5°82.8°
C10C9C8C11115.5°117.1°
C10C9C8C1849.0°41.5°
C10C9C11C1275.5°63.2°
C10C9C8H4167.1°159.1°
C9C10H5H6120.0°120.0°
C9C10H5H7120.0°119.9°
C9C10H6H7120.0°120.0°
C10C9C11H844.8°56.9°
C10C9C11H9164.3°176.9°
C22C24C25H24118.6°118.1°
C22C24C25H25118.6°118.1°
C24C22C6C20107.8°108.2°
C24C22C6H23130.5°130.1°
C24C22C6C8171.8°172.8°
C24C22C20C2171.2°75.1°
C24C22C20H23116.1°117.7°
C22C24C25C2626.2°25.5°
C24C22C20C2644.1°40.7°
C24C22C20C19169.5°167.1°
C24C22C6H350.1°51.5°
C22C24H24H25123.9°123.9°
C22C24C25H26153.8°154.5°
C25C24C22C6155.2°152.0°
C25C24C22C2041.6°39.1°
C24C25C26H26180.0°180.0°
C24C25C26C203.0°1.3°
C24C25C26C27177.4°178.7°
C25C24C22H2374.3°78.3°
C25C24H24H25123.9°123.8°
C22C6C8H3121.7°120.7°
C6C22C20C2150.8°45.8°
C22C6C8C9176.8°178.7°
C6C22C20H23121.9°121.5°
C22C6C8C1862.1°56.0°
C6C22C20C26166.1°161.5°
C6C22C20C1968.5°72.1°
C22C6C5H181.0°67.0°
C22C6C5H238.2°53.1°
C22C6C8H457.2°63.6°
C6C22C24H2436.6°33.9°
C6C22C24H2586.2°89.9°
C6C8C9C18122.5°124.3°
C6C8C9H4119.4°118.1°
C6C8C9C11171.0°160.1°
C8C6C22C2064.0°64.6°
C6C8C18H4119.2°119.6°
C6C8C18C1961.5°52.4°
C8C6C5H1166.3°176.4°
C8C6C5H274.5°63.5°
C6C8C18H16178.3°173.0°
C6C8C18H1758.6°68.2°
C8C6C22H2357.7°57.2°
C21C20C22C26115.3°115.8°
C21C20C22C19119.3°117.9°
C21C20C26C2583.5°88.0°
C21C20C26C19126.3°126.5°
C21C20C19C1854.6°51.6°
C21C20C26C2796.1°92.0°
C21C20C19H1864.8°170.9°
C21C20C19H19174.0°67.7°
C20C21H20H21120.0°120.0°
C20C21H20H22120.0°120.1°
C20C21H21H22120.0°120.0°
C21C20C22H23172.7°167.2°
O15C13C12H12120.6°120.0°
O15C13C12C11169.5°176.2°
O15C13C12H1049.7°63.8°
O15C13C12H1170.6°56.2°
O15C13C17H1459.4°65.1°
O15C13C17H1561.2°55.3°
C9C8C18H4118.2°117.2°
C8C9C11C12168.8°179.3°
C9C8C18C19175.9°175.6°
C9C8C6H361.5°57.9°
C8C9C10H558.5°55.6°
C8C9C10H6178.5°64.5°
C8C9C10H761.5°175.5°
C8C9C11H871.0°60.7°
C8C9C11H948.5°59.3°
C9C8C18H1655.7°63.8°
C9C8C18H1764.0°54.9°
C9C11C12C1360.7°62.9°
C11C9C8C1866.5°75.6°
C9C11C12H8120.2°120.0°
C9C11C12H9120.3°120.0°
C11C9C8H451.7°42.0°
C11C9C10H558.4°174.3°
C11C9C10H661.6°54.2°
C11C9C10H7178.4°65.8°
C9C11H8H9119.3°120.0°
C9C11C12H10179.5°57.2°
C9C11C12H1159.1°177.2°
C13C12C11H10119.8°120.1°
C13C12C11H11119.8°120.0°
C13C12C11H8179.1°177.2°
C13C12C11H959.6°57.1°
C13C12H10H11120.5°119.9°
C12C13O15H1361.0°60.0°
C12C13C17H14179.1°174.9°
C12C13C17H1558.5°64.7°
C22C20C26C2530.8°27.3°
C22C20C26C19119.4°118.2°
C22C20C19C1863.7°65.8°
C22C20C26C27149.7°152.7°
C20C22C6H357.7°56.7°
C22C20C19H18176.9°53.5°
C22C20C19H1955.7°174.9°
C22C20C21H20180.0°177.5°
C22C20C21H2160.0°62.5°
C22C20C21H2260.0°57.5°
C20C22C24H2477.1°79.0°
C20C22C24H25160.2°157.1°
C25C26C20C27179.6°180.0°
C25C26C20C19150.1°145.5°
C25C26C27C32134.4°65.0°
C25C26C27C2845.8°114.7°
C26C25C24H2492.4°92.6°
C26C25C24H25144.8°143.6°
C8C18C19C2060.0°56.5°
C8C18C19H16120.1°120.6°
C8C18C19H17120.1°120.7°
C18C8C6H359.7°64.7°
C8C18H16H17119.6°118.8°
C8C18C19H18179.4°62.7°
C8C18C19H1959.5°175.9°
C12C11H8H9119.3°120.1°
C11C12H10H11120.5°119.9°
C11C12C13H1248.9°56.2°
C26C20C19C18179.2°178.1°
C20C26C27C3245.1°115.0°
C20C26C27C28134.7°65.3°
C26C20C19H1861.4°62.6°
C26C20C19H1959.8°58.8°
C26C20C21H2069.8°65.9°
C26C20C21H21170.1°174.2°
C26C20C21H2250.2°54.2°
C26C20C22H2372.0°77.0°
C20C26C25H26177.0°178.7°
C20C19C18H18119.4°119.3°
C20C19C18H19119.4°119.4°
C19C20C26C2730.3°34.5°
C20C19C18H16179.9°177.1°
C20C19C18H1760.2°64.2°
C20C19H18H19121.7°121.4°
C19C20C21H2061.0°66.1°
C19C20C21H2159.0°53.9°
C19C20C21H22178.9°173.9°
C19C20C22H2353.4°49.3°
C19C18C8H457.7°67.2°
C19C18H16H17119.7°118.7°
C18C19H18H19121.7°121.3°
C26C27C32C28179.8°179.7°
C26C27C32C31180.0°179.8°
C26C27C28N29180.0°180.0°
C27C26C25H262.6°1.3°
C26C27C28H290.0°0.1°
C26C27C32H320.0°0.0°
C27C32C31H32180.0°179.8°
C32C27C28N290.2°0.3°
C27C32C31C300.1°0.5°
C32C27C28H29179.8°179.7°
C27C32C31H31179.9°179.7°
C28C27C32C310.2°0.5°
C27C28N29H29180.0°180.0°
C27C28N29C300.1°0.1°
C28C27C32H32179.8°179.7°
C32C31C30H31180.0°179.9°
C32C31C30N290.0°0.2°
C32C31C30H30180.0°179.8°
C28N29C30C310.0°0.0°
C28N29C30H30180.0°180.0°
C31C30N29H30180.0°180.0°
C30C31C32H32179.9°179.7°
C30N29C28H29179.9°180.0°
N29C30C31H31180.0°179.9°
H1C5C6H342.0°54.5°
H2C5C6H3161.2°174.6°
H3C6C8H4179.0°175.7°
H3C6C22H23179.4°178.5°
H4C8C18H1662.4°53.4°
H4C8C18H17177.8°172.2°
H5C10H6H7120.0°120.0°
H8C11C12H1059.2°62.8°
H8C11C12H1161.1°57.2°
H9C11C12H1060.2°177.2°
H9C11C12H11179.4°62.9°
H10C12C13H1270.9°176.2°
H11C12C13H12168.7°63.8°
H12C13O15H1358.8°60.0°
H12C13C17H1462.5°54.9°
H12C13C17H15176.9°175.3°
H16C18C19H1860.5°57.9°
H16C18C19H1960.7°63.5°
H17C18C19H1859.3°176.5°
H17C18C19H19179.6°55.2°
H20C21H21H22120.0°120.0°
H23C22C24H24167.1°163.6°
H23C22C24H2544.3°39.7°
H24C24C25H2687.6°87.4°
H25C24C25H2635.2°36.4°
H30C30C31H310.0°0.1°
H31C31C32H320.1°0.1°

223790

PDB entries from 2024-08-14

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