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49Q

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C17C14doub1.38Å1.38ÅAromatic
C17C15sing1.38Å1.38ÅAromatic
C14C11sing1.38Å1.38ÅAromatic
C15C12doub1.38Å1.38ÅAromatic
C11C9doub1.38Å1.38ÅAromatic
C12C9sing1.38Å1.38ÅAromatic
C9C7sing1.51Å1.49Å
O4C7sing1.43Å1.43Å
O4C1sing1.36Å1.37Å
C2C1doub1.39Å1.38ÅAromatic
C2C5sing1.38Å1.38ÅAromatic
C1C3sing1.39Å1.38ÅAromatic
C5C8doub1.38Å1.37ÅAromatic
C3C6doub1.38Å1.38ÅAromatic
C8C6sing1.38Å1.39ÅAromatic
C8C10sing1.51Å1.47Å
C10C13sing1.53Å1.51Å
C16C13sing1.53Å1.50Å
C16O18sing1.43Å1.43Å
C17H1sing1.08Å1.08Å
C14H2sing1.08Å1.08Å
C15H3sing1.08Å1.08Å
C11H4sing1.08Å1.08Å
C12H5sing1.08Å1.08Å
C5H6sing1.08Å1.08Å
C6H7sing1.08Å1.08Å
C2H8sing1.08Å1.08Å
C3H9sing1.08Å1.08Å
C10H10sing1.09Å1.10Å
C10H11sing1.09Å1.10Å
C7H12sing1.09Å1.10Å
C7H13sing1.09Å1.10Å
C13H14sing1.09Å1.10Å
C13H15sing1.09Å1.10Å
C16H16sing1.09Å1.10Å
C16H17sing1.09Å1.10Å
O18H18sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C14C17C15120.2°120.0°
C17C14C11119.0°120.0°
C14C17H1119.9°120.0°
C17C14H2120.5°120.0°
C17C15C12120.8°120.0°
C15C17H1119.9°120.0°
C17C15H3119.6°120.0°
C14C11C9120.6°120.0°
C11C14H2120.5°119.9°
C14C11H4119.7°120.0°
C15C12C9119.0°120.0°
C12C15H3119.6°120.0°
C15C12H5120.5°120.0°
C11C9C12120.3°120.0°
C11C9C7119.1°120.0°
C9C11H4119.7°120.0°
C12C9C7120.6°120.0°
C9C12H5120.5°120.0°
C9C7O499.1°109.4°
C9C7H12112.0°109.4°
C9C7H13112.0°109.5°
C7O4C1116.2°117.0°
O4C7H12112.0°109.5°
O4C7H13112.0°109.5°
O4C1C2113.6°120.0°
O4C1C3123.5°120.1°
C1C2C5121.2°119.9°
C2C1C3122.9°119.9°
C1C2H8119.4°120.0°
C2C5C8116.8°120.0°
C2C5H6121.6°120.0°
C5C2H8119.4°120.0°
C1C3C6115.4°119.9°
C1C3H9122.3°120.1°
C5C8C6121.6°120.1°
C5C8C10116.8°119.9°
C8C5H6121.6°120.0°
C3C6C8122.1°120.0°
C3C6H7119.0°120.0°
C6C3H9122.3°120.0°
C6C8C10121.7°119.9°
C8C6H7119.0°120.0°
C8C10C13105.5°109.5°
C8C10H10110.5°109.5°
C8C10H11110.5°109.4°
C10C13C16114.5°109.5°
C13C10H10110.5°109.5°
C13C10H11110.4°109.5°
C10C13H14108.2°109.4°
C10C13H15108.2°109.5°
C13C16O18103.7°109.5°
C16C13H14108.2°109.5°
C16C13H15108.2°109.5°
C13C16H16110.9°109.5°
C13C16H17110.9°109.5°
O18C16H16110.9°109.4°
O18C16H17110.9°109.5°
C16O18H18109.5°114.0°
H10C10H11109.4°109.4°
H12C7H13109.5°109.5°
H14C13H15109.4°109.5°
H16C16H17109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C14C17C15H1180.0°179.7°
C17C14C11H2180.0°180.0°
C14C17C15C120.8°0.0°
C17C14C11C90.9°0.0°
C14C17C15H3179.2°180.0°
C17C14C11H4179.1°180.0°
C15C17C14C110.1°0.0°
C17C15C12H3180.0°180.0°
C17C15C12C90.5°0.1°
C15C17C14H2179.9°180.0°
C17C15C12H5179.5°180.0°
C14C11C9H4180.0°180.0°
C14C11C9C121.2°0.0°
C14C11C9C7179.2°179.9°
C11C14C17H1179.9°179.7°
C15C12C9C110.5°0.1°
C15C12C9H5180.0°179.9°
C15C12C9C7178.4°180.0°
C12C15C17H1179.2°179.8°
C11C9C12C7177.9°179.9°
C11C9C7O451.9°90.0°
C9C11C14H2179.1°180.0°
C11C9C12H5179.5°180.0°
C11C9C7H1266.4°150.0°
C11C9C7H13170.1°30.0°
C12C9C7O4126.0°90.1°
C9C12C15H3179.5°179.9°
C12C9C11H4178.8°179.9°
C12C9C7H12115.7°29.9°
C12C9C7H137.8°149.9°
C9C7O4H12118.3°119.9°
C9C7O4H13118.3°120.0°
C9C7O4C1163.2°180.0°
C7C9C11H40.8°0.0°
C7C9C12H51.6°0.2°
C9C7H12H13124.8°120.0°
C7O4C1C2132.7°180.0°
C7O4C1C348.9°0.1°
O4C7H12H13124.8°120.1°
O4C1C2C3178.4°179.9°
O4C1C2C5179.1°180.0°
O4C1C3C6179.1°179.6°
O4C1C2H80.9°0.1°
O4C1C3H90.8°0.3°
C1O4C7H1278.5°60.1°
C1O4C7H1344.9°60.0°
C1C2C5H8180.0°179.9°
C1C2C5C80.3°0.1°
C2C1C3C60.8°0.2°
C1C2C5H6179.7°179.7°
C2C1C3H9179.1°179.8°
C5C2C1C30.7°0.1°
C2C5C8H6180.0°179.8°
C2C5C8C60.1°0.2°
C2C5C8C10179.8°179.8°
C1C3C6H9180.0°180.0°
C1C3C6C80.7°0.5°
C1C3C6H7179.3°179.9°
C3C1C2H8179.3°180.0°
C5C8C6C30.3°0.5°
C5C8C6C10179.7°180.0°
C5C8C10C13101.0°90.0°
C5C8C6H7179.6°179.9°
C8C5C2H8179.7°180.0°
C5C8C10H10139.6°150.0°
C5C8C10H1118.4°30.0°
C3C6C8H7180.0°179.4°
C3C6C8C10179.9°179.4°
C6C8C10C1378.7°90.0°
C6C8C5H6179.9°180.0°
C8C6C3H9179.3°179.5°
C6C8C10H1040.7°30.0°
C6C8C10H11161.9°150.0°
C8C10C13H10119.4°120.0°
C8C10C13H11119.4°120.0°
C8C10C13C1682.3°180.0°
C10C8C5H60.1°0.0°
C10C8C6H70.1°0.0°
C8C10H10H11121.8°119.9°
C8C10C13H1438.4°60.0°
C8C10C13H15156.9°60.0°
C10C13C16H14120.8°120.0°
C10C13C16H15120.8°120.0°
C10C13C16O18174.3°180.0°
C13C10H10H11121.8°120.0°
C10C13H14H15117.7°120.0°
C10C13C16H1655.2°60.1°
C10C13C16H1766.7°60.0°
C13C16O18H16119.1°119.9°
C13C16O18H17119.1°120.0°
C16C13C10H10158.3°60.0°
C16C13C10H1137.1°60.0°
C16C13H14H15117.7°120.1°
C13C16H16H17122.7°120.1°
C13C16O18H18180.0°180.0°
O18C16C13H1465.0°60.1°
O18C16C13H1553.5°60.0°
O18C16H16H17122.7°120.0°
H1C17C14H20.1°0.3°
H1C17C15H30.8°0.3°
H2C14C11H40.9°0.1°
H3C15C12H50.5°0.1°
H6C5C2H80.3°0.3°
H7C6C3H90.7°0.1°
H10C10C13H1480.9°180.0°
H10C10C13H1537.5°60.0°
H11C10C13H14157.8°60.0°
H11C10C13H1583.7°180.0°
H14C13C16H16175.9°180.0°
H14C13C16H1754.1°60.0°
H15C13C16H1665.6°59.9°
H15C13C16H17172.6°180.0°
H16C16O18H1860.9°60.0°
H17C16O18H1860.9°60.0°

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