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2WC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAWCAXsing1.53Å1.55Å
CAWCAVsing1.53Å1.57Å
CAXCAYsing1.53Å1.53Å
CAYCAZsing1.53Å1.59Å
CAZCBAsing1.53Å1.60Å
CBACAVsing1.53Å1.52Å
CAVCAUsing1.53Å1.50Å
CAUO6sing1.43Å1.51Å
O6C6sing1.35Å1.38Å
C6N1sing1.33Å1.36ÅAromatic
C6C5doub1.39Å1.34ÅAromatic
N1C2doub1.33Å1.34ÅAromatic
C2N2sing1.39Å1.32Å
C2N3sing1.32Å1.36ÅAromatic
N3C4doub1.34Å1.38ÅAromatic
C4N9sing1.34Å1.36ÅAromatic
C4C5sing1.41Å1.38ÅAromatic
N9C8doub1.31Å1.35ÅAromatic
C5N7sing1.38Å1.36ÅAromatic
N7C8sing1.37Å1.37ÅAromatic
C8CAJsing1.48Å1.36Å
CAJCAKsing1.40Å1.42ÅAromatic
CAJCAOdoub1.39Å1.40ÅAromatic
CAKCALdoub1.38Å1.41ÅAromatic
CALCAMsing1.38Å1.40ÅAromatic
CAMCANdoub1.40Å1.44ÅAromatic
CANCAQsing1.48Å1.40Å
CANCAOsing1.39Å1.45ÅAromatic
CAQOASdoub1.22Å1.29Å
CAQOARsing1.35Å1.30Å
CAOCAPsing1.51Å1.43Å
CAWHAW1sing1.09Å1.10Å
CAWHAW2sing1.09Å1.10Å
CAXHAX1sing1.09Å1.10Å
CAXHAX2sing1.09Å1.10Å
CAVHAVsing1.09Å1.10Å
CAYHAY1sing1.09Å1.10Å
CAYHAY2sing1.09Å1.10Å
CAZHAZ1sing1.09Å1.10Å
CAZHAZ2sing1.09Å1.10Å
CBAHBA1sing1.09Å1.10Å
CBAHBA2sing1.09Å1.10Å
CAUHAU1sing1.09Å1.10Å
CAUHAU2sing1.09Å1.10Å
N2H21Nsing0.97Å1.00Å
N2H22Nsing0.97Å1.00Å
N7H7sing0.97Å1.00Å
CAKHAKsing1.08Å1.08Å
CALHALsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
OARHARsing0.97Å0.95Å
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAPHAP3sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAXCAWCAV102.0°109.5°
CAWCAXCAY105.0°109.5°
CAXCAWHAW1111.3°109.4°
CAXCAWHAW2111.3°109.5°
CAWCAXHAX1110.6°109.4°
CAWCAXHAX2110.6°109.4°
CAWCAVCBA107.8°109.5°
CAWCAVCAU111.4°109.5°
CAVCAWHAW1111.3°109.5°
CAVCAWHAW2111.3°109.5°
CAWCAVHAV107.4°109.5°
CAXCAYCAZ109.5°109.5°
CAYCAXHAX1110.6°109.5°
CAYCAXHAX2110.6°109.5°
CAXCAYHAY1109.5°109.4°
CAXCAYHAY2109.4°109.4°
CAYCAZCBA114.3°109.5°
CAZCAYHAY1109.4°109.5°
CAZCAYHAY2109.5°109.5°
CAYCAZHAZ1108.3°109.5°
CAYCAZHAZ2108.3°109.4°
CAZCBACAV109.2°109.5°
CBACAZHAZ1108.2°109.5°
CBACAZHAZ2108.3°109.5°
CAZCBAHBA1109.6°109.5°
CAZCBAHBA2109.5°109.4°
CBACAVCAU113.8°109.5°
CBACAVHAV107.9°109.5°
CAVCBAHBA1109.5°109.5°
CAVCBAHBA2109.6°109.5°
CAVCAUO6101.0°109.5°
CAUCAVHAV108.3°109.4°
CAVCAUHAU1111.6°109.4°
CAVCAUHAU2111.5°109.5°
CAUO6C6115.2°117.0°
O6CAUHAU1111.6°109.5°
O6CAUHAU2111.5°109.5°
O6C6N1120.0°120.7°
O6C6C5117.9°120.6°
N1C6C5122.1°118.7°
C6N1C2120.5°121.1°
C6C5C4117.4°118.8°
C6C5N7133.4°135.0°
N1C2N2116.1°118.9°
N1C2N3119.7°122.3°
N2C2N3124.1°118.8°
C2N2H21N109.5°120.0°
C2N2H22N109.5°120.0°
C2N3C4119.4°120.5°
N3C4N9132.0°134.1°
N3C4C5120.9°118.7°
N9C4C5107.1°107.2°
C4N9C8108.0°109.8°
C4C5N7109.2°106.3°
N9C8N7109.9°109.7°
N9C8CAJ123.4°125.2°
C5N7C8105.8°107.0°
C5N7H7127.1°126.5°
N7C8CAJ126.4°125.1°
C8N7H7127.1°126.5°
C8CAJCAK118.3°120.1°
C8CAJCAO123.1°120.1°
CAKCAJCAO118.4°119.9°
CAJCAKCAL124.4°120.1°
CAJCAKHAK117.8°119.9°
CAJCAOCAN117.2°119.7°
CAJCAOCAP118.4°120.1°
CAKCALCAM118.9°120.3°
CALCAKHAK117.8°119.9°
CAKCALHAL120.6°119.8°
CALCAMCAN117.5°120.1°
CAMCALHAL120.6°119.8°
CALCAMHAM121.2°120.0°
CAMCANCAQ118.1°120.1°
CAMCANCAO123.6°119.9°
CANCAMHAM121.2°119.9°
CAQCANCAO118.4°120.1°
CANCAQOAS118.9°120.0°
CANCAQOAR120.3°120.0°
CANCAOCAP124.4°120.2°
OASCAQOAR120.8°120.0°
CAQOARHAR109.5°117.0°
CAOCAPHAP1109.5°109.5°
CAOCAPHAP2109.5°109.5°
CAOCAPHAP3109.5°109.5°
HAW1CAWHAW2109.5°109.5°
HAX1CAXHAX2109.5°109.5°
HAY1CAYHAY2109.5°109.4°
HAZ1CAZHAZ2109.4°109.5°
HBA1CBAHBA2109.4°109.5°
HAU1CAUHAU2109.5°109.5°
H21NN2H22N109.5°120.0°
HAP1CAPHAP2109.5°109.4°
HAP1CAPHAP3109.5°109.5°
HAP2CAPHAP3109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAXCAWCAVHAW1118.8°119.9°
CAXCAWCAVHAW2118.8°120.1°
CAWCAXCAYHAX1119.3°119.9°
CAWCAXCAYHAX2119.3°120.0°
CAWCAXCAYCAZ63.2°60.0°
CAXCAWCAVCBA76.1°60.0°
CAXCAWCAVCAU158.3°180.0°
CAXCAWHAW1HAW2123.5°120.0°
CAWCAXHAX1HAX2122.1°119.9°
CAXCAWCAVHAV39.9°60.1°
CAWCAXCAYHAY1176.8°180.0°
CAWCAXCAYHAY256.8°60.1°
CAVCAWCAXCAY77.4°59.9°
CAWCAVCBACAZ58.1°60.0°
CAWCAVCBACAU124.1°120.1°
CAWCAVCBAHAV115.7°120.0°
CAWCAVCAUHAV117.9°120.0°
CAWCAVCAUO6120.6°175.0°
CAVCAWHAW1HAW2123.5°120.0°
CAVCAWCAXHAX141.9°60.0°
CAVCAWCAXHAX2163.3°180.0°
CAWCAVCBAHBA1178.0°180.0°
CAWCAVCBAHBA261.9°60.0°
CAWCAVCAUHAU1120.8°65.0°
CAWCAVCAUHAU22.0°55.0°
CAXCAYCAZHAY1120.0°120.0°
CAXCAYCAZHAY2120.0°120.0°
CAXCAYCAZCBA46.7°60.0°
CAYCAXCAWHAW141.4°60.0°
CAYCAXCAWHAW2163.8°180.0°
CAYCAXHAX1HAX2122.1°120.1°
CAXCAYHAY1HAY2120.0°119.9°
CAXCAYCAZHAZ174.0°60.0°
CAXCAYCAZHAZ2167.4°180.0°
CAYCAZCBAHAZ1120.7°120.0°
CAYCAZCBAHAZ2120.7°119.9°
CAYCAZCBACAV43.8°60.0°
CAZCAYCAXHAX156.0°59.9°
CAZCAYCAXHAX2177.5°180.0°
CAZCAYHAY1HAY2120.0°120.1°
CAYCAZHAZ1HAZ2117.8°119.9°
CAYCAZCBAHBA1163.7°180.0°
CAYCAZCBAHBA276.2°60.0°
CAZCBACAVHBA1120.0°120.0°
CAZCBACAVHBA2120.0°119.9°
CAZCBACAVCAU177.8°180.0°
CAZCBACAVHAV57.6°60.1°
CBACAZCAYHAY1166.7°180.0°
CBACAZCAYHAY273.3°60.0°
CBACAZHAZ1HAZ2117.8°120.1°
CAZCBAHBA1HBA2120.1°120.0°
CBACAVCAUHAV120.0°119.9°
CBACAVCAUO6117.3°64.9°
CBACAVCAWHAW142.6°60.0°
CBACAVCAWHAW2165.0°180.0°
CAVCBACAZHAZ176.9°60.0°
CAVCBACAZHAZ2164.5°179.9°
CAVCBAHBA1HBA2120.2°120.0°
CBACAVCAUHAU11.4°55.1°
CBACAVCAUHAU2124.2°175.0°
CAVCAUO6HAU1118.6°120.0°
CAVCAUO6HAU2118.6°120.0°
CAVCAUO6C6152.1°180.0°
CAUCAVCAWHAW182.9°60.1°
CAUCAVCAWHAW239.5°59.9°
CAUCAVCBAHBA157.9°59.9°
CAUCAVCBAHBA262.2°60.1°
CAVCAUHAU1HAU2123.9°119.9°
CAUO6C6N133.8°0.0°
CAUO6C6C5143.9°179.7°
O6CAUCAVHAV2.7°55.0°
O6CAUHAU1HAU2124.0°120.0°
O6C6N1C5177.7°179.7°
O6C6N1C2178.7°180.0°
O6C6C5C4179.6°179.8°
O6C6C5N70.5°0.1°
C6O6CAUHAU189.3°60.0°
C6O6CAUHAU233.5°60.0°
C6N1C2N2179.1°180.0°
C6N1C2N31.8°0.0°
N1C6C5C42.7°0.5°
N1C6C5N7178.2°179.8°
C5C6N1C21.1°0.3°
C6C5C4N31.5°0.5°
C6C5C4N9179.8°179.7°
C6C5C4N7179.3°179.8°
C6C5N7C8179.7°179.4°
C6C5N7H70.3°0.1°
N1C2N2N3177.2°179.9°
N1C2N3C42.9°0.0°
N1C2N2H21N0.0°0.1°
N1C2N2H22N120.0°180.0°
N2C2N3C4179.9°180.0°
C2N2H21NH22N120.0°179.9°
C2N3C4N9177.1°180.0°
C2N3C4C51.2°0.2°
N3C2N2H21N177.2°180.0°
N3C2N2H22N62.8°0.1°
N3C4N9C5178.5°179.8°
N3C4N9C8178.6°180.0°
N3C4C5N7179.1°179.7°
N9C4C5N70.4°0.1°
C4N9C8N70.2°0.5°
C4N9C8CAJ174.5°179.9°
C5C4N9C80.1°0.2°
C4C5N7C80.5°0.4°
C4C5N7H7179.5°179.9°
N9C8N7C50.5°0.5°
N9C8N7CAJ174.1°179.6°
N9C8CAJCAK46.0°172.8°
N9C8CAJCAO139.3°7.5°
N9C8N7H7179.5°180.0°
C5N7C8H7180.0°179.5°
C5N7C8CAJ174.5°179.9°
N7C8CAJCAK127.3°6.8°
N7C8CAJCAO47.3°173.0°
C8CAJCAKCAO174.9°179.8°
C8CAJCAKCAL177.5°180.0°
C8CAJCAOCAN178.1°179.7°
C8CAJCAOCAP4.7°0.0°
CAJC8N7H75.5°0.4°
C8CAJCAKHAK2.5°0.1°
CAJCAKCALHAK180.0°179.9°
CAJCAKCALCAM1.3°0.0°
CAKCAJCAOCAN3.5°0.5°
CAKCAJCAOCAP179.3°179.7°
CAJCAKCALHAL178.6°180.0°
CAOCAJCAKCAL2.6°0.3°
CAJCAOCANCAM3.6°0.5°
CAJCAOCANCAQ177.7°179.7°
CAJCAOCANCAP176.9°179.7°
CAOCAJCAKHAK177.4°179.8°
CAJCAOCAPHAP191.4°94.2°
CAJCAOCAPHAP2148.6°145.8°
CAJCAOCAPHAP328.7°25.8°
CAKCALCAMHAL180.0°180.0°
CAKCALCAMCAN1.1°0.0°
CAKCALCAMHAM178.9°180.0°
CALCAMCANHAM180.0°180.0°
CALCAMCANCAQ178.9°180.0°
CALCAMCANCAO2.3°0.3°
CAMCALCAKHAK178.6°179.9°
CAMCANCAQCAO178.8°179.8°
CAMCANCAQOAS135.5°173.8°
CAMCANCAQOAR46.0°6.2°
CAMCANCAOCAP179.5°179.7°
CANCAMCALHAL178.9°180.0°
CANCAQOASOAR178.4°180.0°
CAQCANCAOCAP0.8°0.0°
CAQCANCAMHAM1.1°0.0°
CANCAQOARHAR178.4°180.0°
CAOCANCAQOAS45.7°6.5°
CAOCANCAQOAR132.8°173.5°
CAOCANCAMHAM177.7°179.7°
CANCAOCAPHAP191.7°85.5°
CANCAOCAPHAP228.3°34.5°
CANCAOCAPHAP3148.3°154.4°
OASCAQOARHAR0.0°0.0°
CAOCAPHAP1HAP2120.0°120.0°
CAOCAPHAP1HAP3120.0°120.0°
CAOCAPHAP2HAP3120.0°120.0°
HAW1CAWCAXHAX1160.7°180.0°
HAW1CAWCAXHAX277.9°60.0°
HAW1CAWCAVHAV158.7°180.0°
HAW2CAWCAXHAX177.0°60.0°
HAW2CAWCAXHAX244.5°59.9°
HAW2CAWCAVHAV78.9°60.0°
HAX1CAXCAYHAY163.9°60.1°
HAX1CAXCAYHAY2176.1°180.0°
HAX2CAXCAYHAY157.5°60.0°
HAX2CAXCAYHAY262.4°59.9°
HAVCAVCBAHBA162.3°60.0°
HAVCAVCBAHBA2177.6°180.0°
HAVCAVCAUHAU1121.4°175.0°
HAVCAVCAUHAU2115.9°65.0°
HAY1CAYCAZHAZ146.0°60.0°
HAY1CAYCAZHAZ272.5°60.0°
HAY2CAYCAZHAZ1166.0°180.0°
HAY2CAYCAZHAZ247.4°60.0°
HAZ1CAZCBAHBA143.0°60.0°
HAZ1CAZCBAHBA2163.1°180.0°
HAZ2CAZCBAHBA175.5°60.0°
HAZ2CAZCBAHBA244.5°60.0°
HAKCAKCALHAL1.4°0.1°
HALCALCAMHAM1.2°0.0°
HAP1CAPHAP2HAP3120.0°119.9°

225946

PDB entries from 2024-10-09

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