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KRO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAACAOsing1.51Å1.44Å
CAOCAIdoub1.38Å1.34ÅAromatic
CAOCAQsing1.38Å1.42ÅAromatic
FAFCAQsing1.35Å1.35Å
CAICAPsing1.38Å1.39ÅAromatic
CAQCAHdoub1.38Å1.41ÅAromatic
CAPCAJsing1.51Å1.27Å
CAPCAGdoub1.38Å1.41ÅAromatic
CAHCAGsing1.38Å1.42ÅAromatic
CAJCAKsing1.53Å1.59Å
CAKCASsing1.51Å1.41Å
OADCAUdoub1.22Å1.27Å
CASCAUsing1.47Å1.38Å
CASCARdoub1.36Å1.35Å
CAUNAMsing1.35Å1.42Å
OABCANdoub1.21Å1.25Å
CANCARsing1.48Å1.55Å
CANOAEsing1.35Å1.23Å
CARNALsing1.38Å1.45Å
NAMCATsing1.34Å1.42Å
NALCATsing1.34Å1.39Å
CATOACdoub1.22Å1.24Å
OAEH1sing0.97Å0.95Å
NAMH2sing0.97Å1.00Å
CAKH4sing1.09Å1.10Å
CAKH5sing1.09Å1.10Å
CAJH6sing1.09Å1.10Å
CAJH7sing1.09Å1.10Å
CAIH8sing1.08Å1.08Å
CAAH9sing1.09Å1.10Å
CAAH10sing1.09Å1.10Å
CAAH11sing1.09Å1.10Å
CAHH12sing1.08Å1.08Å
CAGH13sing1.08Å1.08Å
NALH14sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAACAOCAI118.9°120.0°
CAACAOCAQ123.1°120.0°
CAOCAAH9109.5°109.5°
CAOCAAH10109.4°109.5°
CAOCAAH11109.4°109.5°
CAICAOCAQ117.8°120.0°
CAOCAICAP121.0°120.1°
CAOCAIH8119.5°120.0°
CAOCAQFAF117.6°120.0°
CAOCAQCAH123.6°119.9°
FAFCAQCAH118.9°120.1°
CAICAPCAJ112.1°120.0°
CAICAPCAG122.6°120.0°
CAPCAIH8119.5°119.9°
CAQCAHCAG117.2°120.0°
CAQCAHH12121.4°120.0°
CAJCAPCAG125.2°120.0°
CAPCAJCAK108.3°109.5°
CAPCAJH6109.8°109.5°
CAPCAJH7109.8°109.5°
CAPCAGCAH117.8°120.0°
CAPCAGH13121.1°119.9°
CAGCAHH12121.4°120.0°
CAHCAGH13121.1°120.0°
CAJCAKCAS109.8°109.5°
CAJCAKH4109.4°109.4°
CAJCAKH5109.4°109.5°
CAKCAJH6109.8°109.4°
CAKCAJH7109.8°109.5°
CAKCASCAU119.2°120.8°
CAKCASCAR118.5°120.8°
CASCAKH4109.4°109.5°
CASCAKH5109.4°109.5°
OADCAUCAS125.0°120.6°
OADCAUNAM118.2°120.6°
CAUCASCAR122.0°118.4°
CASCAUNAM116.7°118.8°
CASCARCAN126.0°120.3°
CASCARNAL120.4°119.4°
CAUNAMCAT123.9°120.4°
CAUNAMH2118.0°119.8°
OABCANCAR119.1°120.0°
OABCANOAE125.3°120.0°
CARCANOAE115.4°120.0°
CANCARNAL112.7°120.4°
CANOAEH1109.5°117.0°
CARNALCAT119.8°121.3°
CARNALH14120.1°119.4°
NAMCATNAL116.4°121.7°
NAMCATOAC123.0°119.1°
CATNAMH2118.1°119.8°
NALCATOAC120.4°119.2°
CATNALH14120.1°119.4°
H4CAKH5109.5°109.5°
H6CAJH7109.5°109.5°
H9CAAH10109.5°109.5°
H9CAAH11109.5°109.5°
H10CAAH11109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAACAOCAICAQ174.6°180.0°
CAACAOCAQFAF3.6°0.0°
CAACAOCAICAP177.2°179.9°
CAACAOCAQCAH177.2°179.9°
CAACAOCAIH82.8°0.0°
CAOCAAH9H10120.0°120.0°
CAOCAAH9H11120.0°120.0°
CAOCAAH10H11120.0°120.0°
CAICAOCAQFAF178.0°180.0°
CAOCAICAPH8180.0°180.0°
CAICAOCAQCAH2.8°0.0°
CAOCAICAPCAJ174.6°180.0°
CAOCAICAPCAG1.2°0.2°
CAICAOCAAH987.4°90.0°
CAICAOCAAH10152.6°149.9°
CAICAOCAAH1132.6°30.0°
CAOCAQFAFCAH179.2°179.9°
CAQCAOCAICAP2.5°0.0°
CAOCAQCAHCAG1.5°0.2°
CAQCAOCAIH8177.5°180.0°
CAQCAOCAAH986.9°90.0°
CAQCAOCAAH1033.1°30.1°
CAQCAOCAAH11153.1°150.0°
CAOCAQCAHH12178.5°180.0°
FAFCAQCAHCAG179.3°179.7°
FAFCAQCAHH120.7°0.1°
CAICAPCAJCAG175.7°179.8°
CAICAPCAGCAH0.0°0.5°
CAICAPCAJCAK92.4°89.8°
CAICAPCAJH6147.8°150.3°
CAICAPCAJH727.4°30.2°
CAICAPCAGH13180.0°179.7°
CAQCAHCAGCAP0.1°0.5°
CAQCAHCAGH12180.0°179.8°
CAQCAHCAGH13179.9°179.8°
CAJCAPCAGCAH175.4°179.8°
CAPCAJCAKH6119.8°119.9°
CAPCAJCAKH7119.8°120.0°
CAPCAJCAKCAS96.7°180.0°
CAPCAJCAKH4143.3°60.1°
CAPCAJCAKH523.4°59.9°
CAPCAJH6H7120.6°120.1°
CAJCAPCAIH85.4°0.0°
CAJCAPCAGH134.7°0.0°
CAPCAGCAHH13180.0°179.8°
CAGCAPCAJCAK83.3°90.0°
CAGCAPCAJH636.5°30.0°
CAGCAPCAJH7156.9°150.0°
CAGCAPCAIH8178.8°179.7°
CAPCAGCAHH12179.9°179.7°
CAJCAKCASH4120.0°119.9°
CAJCAKCASH5120.1°120.1°
CAJCAKCASCAU68.3°88.1°
CAJCAKCASCAR118.2°91.4°
CAJCAKH4H5119.8°120.0°
CAKCAJH6H7120.5°120.0°
CAKCASCAUOAD3.0°0.2°
CAKCASCAUCAR173.2°179.5°
CAKCASCAUNAM179.0°180.0°
CAKCASCARCAN8.3°0.2°
CAKCASCARNAL176.6°180.0°
CASCAKH4H5119.9°120.0°
CASCAKCAJH623.1°60.0°
CASCAKCAJH7143.5°60.0°
OADCAUCASNAM176.0°179.8°
OADCAUCASCAR176.3°179.7°
OADCAUNAMCAT176.3°179.9°
OADCAUNAMH23.6°0.0°
CAUCASCARCAN178.5°179.8°
CAUCASCARNAL10.1°0.5°
CASCAUNAMCAT0.1°0.3°
CASCAUNAMH2179.9°179.8°
CAUCASCAKH451.8°31.8°
CAUCASCAKH5171.7°151.8°
CARCASCAUNAM7.8°0.5°
CASCARCANOAB60.9°6.3°
CASCARCANNAL169.1°179.8°
CASCARCANOAE123.6°173.4°
CASCARNALCAT4.6°0.2°
CARCASCAKH4121.7°148.6°
CARCASCAKH51.8°28.6°
CASCARNALH14175.5°179.8°
CAUNAMCATH2180.0°179.9°
CAUNAMCATNAL4.9°0.0°
CAUNAMCATOAC179.7°180.0°
OABCANCAROAE175.5°179.7°
OABCANCARNAL130.0°174.0°
OABCANOAEH10.0°0.0°
CANCARNALCAT174.4°180.0°
CARCANOAEH1175.2°179.7°
CANCARNALH145.6°0.0°
OAECANCARNAL45.5°6.3°
CARNALCATNAM2.6°0.0°
CARNALCATH14180.0°179.9°
CARNALCATOAC178.2°180.0°
NAMCATNALOAC175.6°180.0°
NAMCATNALH14177.3°179.9°
NALCATNAMH2175.1°179.9°
OACCATNAMH20.3°0.1°
OACCATNALH141.8°0.1°
H4CAKCAJH696.9°180.0°
H4CAKCAJH723.5°60.0°
H5CAKCAJH6143.2°60.0°
H5CAKCAJH796.4°180.0°
H9CAAH10H11120.0°120.0°
H12CAHCAGH130.1°0.0°

222415

PDB entries from 2024-07-10

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