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MKA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
F1C8sing1.35Å1.34Å
C7C8doub1.39Å1.37ÅAromatic
C7CG2sing1.38Å1.38ÅAromatic
C8CD1sing1.39Å1.38ÅAromatic
CG2CBdoub1.40Å1.38ÅAromatic
CD1CG1doub1.38Å1.38ÅAromatic
CBCG1sing1.40Å1.38ÅAromatic
CBCAsing1.48Å1.45Å
CAO1doub1.22Å1.22Å
CANsing1.35Å1.36Å
NC2sing1.46Å1.44Å
C3C2sing1.53Å1.49Å
C2C1sing1.53Å1.52Å
C1N1sing1.47Å1.46Å
N1C22sing1.47Å1.45Å
N1C11sing1.47Å1.45Å
C22C21sing1.53Å1.52Å
C21C13sing1.53Å1.51Å
C11C12sing1.53Å1.52Å
C16C17doub1.38Å1.38ÅAromatic
C16C15sing1.39Å1.37ÅAromatic
C17C18sing1.38Å1.38ÅAromatic
C13C12sing1.53Å1.51Å
C13N3sing1.46Å1.46Å
C15N3sing1.39Å1.40Å
C15C19doub1.40Å1.36ÅAromatic
C18C20doub1.38Å1.38ÅAromatic
N3C14sing1.35Å1.38Å
C19C20sing1.39Å1.37ÅAromatic
C19N4sing1.39Å1.39Å
C14Odoub1.22Å1.22Å
C14N4sing1.35Å1.38Å
C17H1sing1.08Å1.08Å
C12H2sing1.09Å1.10Å
C12H3sing1.09Å1.10Å
C13H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
C3H6sing1.09Å1.10Å
C3H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C1H9sing1.09Å1.10Å
C2H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
NH13sing0.97Å1.00Å
CG1H14sing1.08Å1.08Å
CG2H15sing1.08Å1.08Å
CD1H16sing1.08Å1.08Å
C16H17sing1.08Å1.08Å
C18H18sing1.08Å1.08Å
C20H19sing1.08Å1.08Å
C21H20sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H23sing1.09Å1.10Å
C7H24sing1.08Å1.08Å
N4H26sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
F1C8C7118.7°119.9°
F1C8CD1120.0°119.9°
C8C7CG2119.7°120.1°
C7C8CD1121.3°120.3°
C8C7H24120.1°120.0°
C7CG2CB117.9°119.9°
C7CG2H15121.0°120.1°
CG2C7H24120.1°119.9°
C8CD1CG1120.4°120.1°
C8CD1H16119.8°119.9°
CG2CBCG1123.5°119.7°
CG2CBCA116.2°120.1°
CBCG2H15121.0°120.0°
CD1CG1CB117.1°119.9°
CD1CG1H14121.4°120.0°
CG1CD1H16119.8°120.0°
CG1CBCA120.3°120.1°
CBCG1H14121.5°120.1°
CBCAO1120.3°120.0°
CBCAN115.4°120.0°
O1CAN124.3°120.0°
CANC2117.5°120.0°
CANH13121.2°119.9°
NC2C3109.4°109.5°
NC2C1109.8°109.5°
NC2H10109.4°109.5°
C2NH13121.3°120.0°
C3C2C1111.0°109.5°
C2C3H5109.5°109.5°
C2C3H6109.4°109.4°
C2C3H7109.5°109.5°
C3C2H10108.8°109.4°
C2C1N1117.4°109.4°
C2C1H8107.5°109.5°
C2C1H9107.5°109.5°
C1C2H10108.4°109.5°
C1N1C22108.5°111.0°
C1N1C11104.8°111.0°
N1C1H8107.5°109.4°
N1C1H9107.5°109.5°
C22N1C11108.5°111.2°
N1C22C21108.9°109.5°
N1C22H22109.6°109.5°
N1C22H23109.6°109.5°
N1C11C12113.2°109.5°
N1C11H11108.5°109.5°
N1C11H12108.5°109.4°
C22C21C13109.0°109.3°
C22C21H20109.6°109.5°
C22C21H21109.6°109.5°
C21C22H22109.6°109.5°
C21C22H23109.6°109.4°
C21C13C12109.7°109.2°
C21C13N3115.1°109.5°
C21C13H4103.9°109.6°
C13C21H20109.6°109.5°
C13C21H21109.6°109.6°
C11C12C13111.2°109.3°
C11C12H2109.0°109.6°
C11C12H3109.0°109.5°
C12C11H11108.5°109.4°
C12C11H12108.6°109.5°
C17C16C15115.5°119.8°
C16C17C18122.6°120.3°
C16C17H1118.7°119.8°
C17C16H17122.2°120.1°
C16C15N3131.0°133.3°
C16C15C19121.5°119.9°
C15C16H17122.3°120.1°
C17C18C20121.5°120.3°
C18C17H1118.7°119.9°
C17C18H18119.3°119.9°
C12C13N3117.9°109.5°
C13C12H2109.0°109.5°
C13C12H3109.0°109.5°
C12C13H4103.9°109.5°
C13N3C15128.3°125.8°
C13N3C14124.2°125.8°
N3C13H4104.5°109.5°
N3C15C19107.5°106.8°
C15N3C14107.5°108.4°
C15C19C20124.0°119.9°
C15C19N4109.1°106.8°
C18C20C19115.0°119.8°
C20C18H18119.2°119.9°
C18C20H19122.5°120.1°
N3C14O125.8°125.2°
N3C14N4108.9°109.7°
C20C19N4126.9°133.3°
C19C20H19122.5°120.1°
C19N4C14106.9°108.3°
C19N4H26126.6°125.8°
OC14N4125.3°125.1°
C14N4H26126.5°125.8°
H2C12H3109.5°109.5°
H5C3H6109.4°109.4°
H5C3H7109.4°109.5°
H6C3H7109.5°109.4°
H8C1H9109.4°109.5°
H11C11H12109.5°109.5°
H20C21H21109.5°109.5°
H22C22H23109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
F1C8C7CD1179.9°179.1°
F1C8C7CG2179.9°180.0°
F1C8CD1CG1180.0°179.7°
F1C8CD1H160.1°0.2°
F1C8C7H240.1°0.8°
C8C7CG2H24180.0°179.2°
C8C7CG2CB0.1°0.6°
C7C8CD1CG10.1°0.6°
C8C7CG2H15179.8°179.5°
C7C8CD1H16180.0°179.4°
CG2C7C8CD10.2°0.8°
C7CG2CBH15180.0°180.0°
C7CG2CBCG10.7°0.0°
C7CG2CBCA179.1°179.7°
C8CD1CG1H16180.0°179.9°
C8CD1CG1CB0.4°0.0°
C8CD1CG1H14179.6°180.0°
CD1C8C7H24179.7°180.0°
CG2CBCG1CD10.8°0.3°
CG2CBCG1CA179.8°179.8°
CG2CBCAO118.5°179.7°
CG2CBCAN162.3°0.2°
CG2CBCG1H14179.2°179.7°
CBCG2C7H24179.9°179.8°
CD1CG1CBH14180.0°180.0°
CD1CG1CBCA178.9°180.0°
CG1CBCAO1161.2°0.0°
CG1CBCAN18.0°180.0°
CG1CBCG2H15179.3°180.0°
CBCG1CD1H16179.5°179.9°
CBCAO1N179.1°179.9°
CBCANC2179.0°180.0°
CBCANH131.0°0.1°
CACBCG1H141.1°0.0°
CACBCG2H151.0°0.2°
O1CANC21.8°0.0°
O1CANH13178.2°180.0°
CANC2H13180.0°180.0°
CANC2C3126.1°84.2°
CANC2C1111.8°155.8°
CANC2H107.0°35.7°
NC2C3C1121.3°120.0°
NC2C3H10119.5°120.0°
NC2C1H10119.5°120.0°
NC2C1N153.3°55.8°
NC2C3H5180.0°60.0°
NC2C3H660.0°60.0°
NC2C3H760.0°180.0°
NC2C1H8174.5°175.7°
NC2C1H967.8°64.2°
C3C2C1H10119.4°120.0°
C3C2C1N1174.4°175.8°
C2C3H5H6120.0°120.0°
C2C3H5H7120.0°120.1°
C2C3H6H7120.0°120.0°
C3C2C1H864.5°64.3°
C3C2C1H953.2°55.8°
C3C2NH1353.9°95.8°
C2C1N1H8121.2°120.0°
C2C1N1H9121.1°120.0°
C2C1N1C2272.5°75.9°
C2C1N1C11171.8°159.9°
C1C2C3H558.7°180.0°
C1C2C3H6178.7°60.0°
C1C2C3H761.3°60.0°
C2C1H8H9116.4°120.1°
C1C2NH1368.1°24.2°
C1N1C22C11113.3°124.1°
C1N1C22C21178.6°174.1°
C1N1C11C12174.8°174.1°
N1C1H8H9116.4°120.0°
N1C1C2H1066.2°64.3°
C1N1C11H1154.2°54.2°
C1N1C11H1264.7°65.8°
C1N1C22H2261.5°65.8°
C1N1C22H2358.7°54.2°
N1C22C21H22119.9°120.1°
N1C22C21H23119.9°120.0°
N1C22C21C1365.4°59.2°
C22N1C11C1259.1°61.8°
C22N1C1H848.7°44.1°
C22N1C1H9166.4°164.1°
C22N1C11H1161.5°178.3°
C22N1C11H12179.6°58.3°
N1C22C21H2054.5°179.1°
N1C22C21H21174.7°60.8°
N1C22H22H23120.3°120.0°
C11N1C22C2165.3°61.8°
N1C11C12H11120.5°120.0°
N1C11C12H12120.6°120.0°
N1C11C12C1351.7°59.2°
N1C11C12H2171.9°60.7°
N1C11C12H368.5°179.1°
C11N1C1H867.0°80.1°
C11N1C1H950.7°39.9°
N1C11H11H12118.3°120.0°
C11N1C22H22174.8°58.3°
C11N1C22H2354.6°178.3°
C22C21C13H20119.9°119.9°
C22C21C13H21119.9°120.0°
C22C21C13C1256.7°57.7°
C22C21C13N3167.5°177.6°
C22C21C13H453.9°62.2°
C22C21H20H21120.2°120.0°
C21C22H22H23120.3°120.0°
C21C13C12C1149.7°57.7°
C21C13C12N3134.4°119.9°
C21C13C12H4110.6°120.0°
C21C13N3H4113.3°120.2°
C21C13N3C1567.2°120.4°
C21C13N3C14111.7°59.7°
C21C13C12H2170.0°62.3°
C21C13C12H370.5°177.6°
C13C21H20H21120.2°120.2°
C13C21C22H22174.7°60.9°
C13C21C22H2354.5°179.2°
C11C12C13H2120.2°120.0°
C11C12C13H3120.3°119.9°
C11C12C13N3175.9°177.6°
C11C12H2H3119.2°120.1°
C11C12C13H460.9°62.3°
C12C11H11H12118.3°120.0°
C17C16C15H17180.0°179.8°
C16C17C18H1180.0°179.6°
C17C16C15N3179.9°179.6°
C17C16C15C190.1°0.4°
C16C17C18C200.2°0.4°
C16C17C18H18179.8°179.7°
C15C16C17C180.0°0.1°
C16C15N3C131.1°0.8°
C16C15N3C19179.8°179.2°
C16C15N3C14179.9°179.2°
C16C15C19C200.0°0.7°
C16C15C19N4179.9°179.3°
C15C16C17H1180.0°179.7°
C17C18C20H18180.0°179.9°
C17C18C20C190.3°0.1°
C18C17C16H17180.0°180.0°
C17C18C20H19179.7°180.0°
C12C13N3H4114.7°120.1°
C12C13N3C1564.8°119.9°
C12C13N3C14116.3°60.0°
C13C12H2H3119.2°120.1°
C13C12C11H1168.8°179.2°
C13C12C11H12172.3°60.8°
C12C13C21H2063.2°177.6°
C12C13C21H21176.6°62.3°
C13N3C15C14179.0°179.9°
C13N3C15C19179.1°180.0°
C13N3C14O0.7°0.0°
C13N3C14N4179.1°180.0°
N3C13C12H255.6°57.6°
N3C13C12H363.9°62.5°
N3C13C21H2072.6°62.5°
N3C13C21H2147.6°57.6°
N3C15C19C20179.9°180.0°
N3C15C19N40.1°0.0°
C15N3C14O179.8°180.0°
C15N3C14N40.0°0.1°
C15N3C13H4179.5°0.1°
N3C15C16H170.1°0.3°
C15C19C20C180.2°0.4°
C19C15N3C140.1°0.1°
C15C19C20N4180.0°180.0°
C15C19N4C140.0°0.0°
C19C15C16H17179.9°179.4°
C15C19C20H19179.8°179.5°
C15C19N4H26179.9°180.0°
C18C20C19H19180.0°179.9°
C18C20C19N4179.9°179.6°
C20C18C17H1179.8°180.0°
N3C14N4C190.0°0.0°
N3C14ON4179.8°180.0°
C14N3C13H41.6°179.9°
N3C14N4H26180.0°180.0°
C20C19N4C14179.9°180.0°
C19C20C18H18179.7°180.0°
C20C19N4H260.1°0.0°
C19N4C14O179.8°180.0°
C19N4C14H26180.0°180.0°
N4C19C20H190.1°0.5°
OC14N4H260.2°0.0°
H1C17C16H170.0°0.4°
H1C17C18H180.2°0.1°
H2C12C13H459.4°177.7°
H2C12C11H1151.4°59.3°
H2C12C11H1267.5°179.3°
H3C12C13H4178.9°57.6°
H3C12C11H11170.9°60.9°
H3C12C11H1252.0°59.1°
H4C13C21H20173.8°57.7°
H4C13C21H2166.0°177.8°
H5C3H6H7119.9°120.0°
H5C3C2H1060.5°60.0°
H6C3C2H1059.5°180.0°
H7C3C2H10179.5°60.1°
H8C1C2H1055.0°55.7°
H9C1C2H10172.7°175.7°
H10C2NH13173.0°144.3°
H14CG1CD1H160.4°0.1°
H15CG2C7H240.1°0.3°
H18C18C20H190.3°0.1°
H20C21C22H2265.3°59.1°
H20C21C22H23174.4°60.9°
H21C21C22H2254.8°179.1°
H21C21C22H2365.4°59.1°

222624

PDB entries from 2024-07-17

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