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BW4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAANABsing1.47Å1.46Å
CACNABsing1.47Å1.48Å
CACCADsing1.53Å1.55Å
OAECADsing1.43Å1.43Å
CADCAFsing1.53Å1.54Å
CBOCBNsing1.51Å1.52Å
CAFOAGsing1.43Å1.44Å
NBMCBNdoub1.30Å1.33ÅAromatic
NBMOBLsing1.21Å1.46ÅAromatic
CBNCBIsing1.42Å1.34ÅAromatic
OAGCAHsing1.36Å1.34Å
OBLCBJsing1.34Å1.35ÅAromatic
CBIC4sing1.48Å1.36Å
CBICBJdoub1.37Å1.35ÅAromatic
CBFC5sing1.51Å1.41Å
CBDOBCsing1.45Å1.44Å
C4C5doub1.39Å1.40ÅAromatic
C4N3sing1.33Å1.36ÅAromatic
CANCAHdoub1.38Å1.40ÅAromatic
CANCAMsing1.39Å1.39ÅAromatic
C5C6sing1.39Å1.41ÅAromatic
CAVCAWsing1.53Å1.53Å
CAVCATsing1.52Å1.52Å
CBJCBKsing1.51Å1.53Å
CAHCAIsing1.39Å1.38ÅAromatic
N3C2doub1.32Å1.35ÅAromatic
CAWNAXsing1.47Å1.49Å
C6NARsing1.39Å1.35Å
C6N1doub1.33Å1.35ÅAromatic
C2N1sing1.33Å1.34ÅAromatic
C2CAMsing1.48Å1.41Å
NARCAUsing1.48Å1.50Å
NARCASsing1.48Å1.50Å
CAUCATsing1.54Å1.53Å
CAMCAKdoub1.40Å1.40ÅAromatic
OBCCBAsing1.35Å1.36Å
CASCATsing1.53Å1.51Å
CATCAZsing1.53Å1.53Å
CAICAJdoub1.38Å1.38ÅAromatic
NAXCBAsing1.35Å1.35Å
NAXCAYsing1.47Å1.49Å
CAKCAJsing1.38Å1.39ÅAromatic
CAKCLALsing1.74Å1.71Å
CBAOBBdoub1.22Å1.23Å
CAZCAYsing1.53Å1.52Å
CBDH1sing1.09Å1.10Å
CBDH2sing1.09Å1.10Å
CBDH3sing1.09Å1.10Å
CAYH4sing1.09Å1.10Å
CAYH5sing1.09Å1.10Å
CAZH6sing1.09Å1.10Å
CAZH7sing1.09Å1.10Å
CAWH8sing1.09Å1.10Å
CAWH9sing1.09Å1.10Å
CAVH10sing1.09Å1.10Å
CAVH11sing1.09Å1.10Å
CAUH12sing1.09Å1.10Å
CAUH13sing1.09Å1.10Å
CASH14sing1.09Å1.10Å
CASH15sing1.09Å1.10Å
CBFH16sing1.09Å1.10Å
CBFH17sing1.09Å1.10Å
CBFH18sing1.09Å1.10Å
CBKH19sing1.09Å1.10Å
CBKH20sing1.09Å1.10Å
CBKH21sing1.09Å1.10Å
CBOH22sing1.09Å1.10Å
CBOH23sing1.09Å1.10Å
CBOH24sing1.09Å1.10Å
CANH25sing1.08Å1.08Å
CAJH26sing1.08Å1.08Å
CAIH27sing1.08Å1.08Å
CAFH28sing1.09Å1.10Å
CAFH29sing1.09Å1.10Å
CADH30sing1.09Å1.10Å
OAEH31sing0.97Å0.95Å
CACH32sing1.09Å1.10Å
CACH33sing1.09Å1.10Å
NABH34sing1.01Å1.00Å
CAAH36sing1.09Å1.10Å
CAAH37sing1.09Å1.10Å
CAAH38sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAANABCAC109.8°111.0°
CAANABH34109.4°111.0°
NABCAAH36109.5°109.5°
NABCAAH37109.5°109.4°
NABCAAH38109.5°109.4°
NABCACCAD109.5°109.5°
NABCACH32109.4°109.5°
NABCACH33109.5°109.5°
CACNABH34109.4°111.0°
CACCADOAE110.0°109.5°
CACCADCAF111.0°109.5°
CACCADH30108.5°109.5°
CADCACH32109.5°109.4°
CADCACH33109.5°109.4°
OAECADCAF108.6°109.5°
OAECADH30110.1°109.4°
CADOAEH31109.5°114.0°
CADCAFOAG107.0°109.5°
CADCAFH28110.1°109.4°
CADCAFH29110.1°109.5°
CAFCADH30108.6°109.4°
CBOCBNNBM122.9°126.9°
CBOCBNCBI126.0°126.9°
CBNCBOH22109.5°109.5°
CBNCBOH23109.5°109.4°
CBNCBOH24109.5°109.4°
CAFOAGCAH119.0°117.0°
OAGCAFH28110.1°109.6°
OAGCAFH29110.1°109.5°
CBNNBMOBL105.5°112.0°
NBMCBNCBI111.1°106.3°
NBMOBLCBJ105.3°111.9°
CBNCBIC4124.8°128.2°
CBNCBICBJ107.8°103.6°
OAGCAHCAN122.8°120.0°
OAGCAHCAI115.6°120.0°
OBLCBJCBI110.2°106.2°
OBLCBJCBK121.8°126.9°
C4CBICBJ127.4°128.1°
CBIC4C5123.8°120.4°
CBIC4N3117.7°120.5°
CBICBJCBK128.0°126.9°
CBFC5C4121.7°120.9°
CBFC5C6120.3°120.8°
C5CBFH16109.5°109.5°
C5CBFH17109.5°109.5°
C5CBFH18109.5°109.4°
CBDOBCCBA112.7°117.0°
OBCCBDH1109.5°109.5°
OBCCBDH2109.5°109.5°
OBCCBDH3109.5°109.4°
C5C4N3118.5°119.1°
C4C5C6118.0°118.4°
C4N3C2122.5°120.8°
CAHCANCAM119.7°119.8°
CANCAHCAI121.6°120.0°
CAHCANH25120.1°120.1°
CANCAMC2119.0°120.1°
CANCAMCAK118.2°119.8°
CAMCANH25120.2°120.1°
C5C6NAR125.4°120.4°
C5C6N1119.5°119.1°
CAWCAVCAT109.8°109.2°
CAVCAWNAX112.6°108.8°
CAVCAWH8108.7°109.6°
CAVCAWH9108.7°109.7°
CAWCAVH10109.4°109.5°
CAWCAVH11109.4°109.5°
CAVCATCAU112.2°113.6°
CAVCATCAS112.7°113.6°
CAVCATCAZ113.1°113.1°
CATCAVH10109.4°109.6°
CATCAVH11109.4°109.5°
CBJCBKH19109.5°109.5°
CBJCBKH20109.5°109.4°
CBJCBKH21109.5°109.5°
CAHCAICAJ118.8°120.2°
CAHCAIH27120.6°119.9°
N3C2N1119.0°121.7°
N3C2CAM122.8°119.2°
CAWNAXCBA118.9°120.5°
CAWNAXCAY120.3°119.0°
NAXCAWH8108.7°109.6°
NAXCAWH9108.7°109.5°
NARC6N1115.0°120.5°
C6NARCAU137.5°111.0°
C6NARCAS131.0°111.0°
C6N1C2122.4°120.9°
N1C2CAM118.2°119.1°
C2CAMCAK122.8°120.1°
CAUNARCAS90.4°90.9°
NARCAUCAT89.7°86.0°
NARCAUH12114.2°113.8°
NARCAUH13114.1°113.9°
NARCASCAT90.6°86.0°
NARCASH14114.0°113.8°
NARCASH15114.0°113.9°
CAUCATCAS89.0°86.8°
CAUCATCAZ112.9°113.4°
CATCAUH12114.2°113.8°
CATCAUH13114.2°113.8°
CAMCAKCAJ121.3°119.9°
CAMCAKCLAL123.2°120.0°
OBCCBANAX120.1°120.0°
OBCCBAOBB119.3°120.0°
CASCATCAZ114.8°113.9°
CATCASH14114.0°113.8°
CATCASH15114.0°113.7°
CATCAZCAY110.8°109.1°
CATCAZH6109.1°109.5°
CATCAZH7109.2°109.5°
CAICAJCAK120.3°120.2°
CAICAJH26119.8°119.9°
CAJCAIH27120.6°119.8°
CBANAXCAY120.9°120.5°
NAXCBAOBB120.6°120.0°
NAXCAYCAZ111.8°108.8°
NAXCAYH4108.9°109.6°
NAXCAYH5108.9°109.6°
CAJCAKCLAL115.5°120.0°
CAKCAJH26119.9°119.9°
CAZCAYH4108.9°109.6°
CAZCAYH5108.9°109.6°
CAYCAZH6109.1°109.6°
CAYCAZH7109.1°109.5°
H1CBDH2109.4°109.4°
H1CBDH3109.5°109.5°
H2CBDH3109.5°109.5°
H4CAYH5109.5°109.6°
H6CAZH7109.5°109.6°
H8CAWH9109.4°109.6°
H10CAVH11109.5°109.6°
H12CAUH13109.5°113.0°
H14CASH15109.4°113.0°
H16CBFH17109.4°109.5°
H16CBFH18109.5°109.5°
H17CBFH18109.5°109.5°
H19CBKH20109.4°109.5°
H19CBKH21109.5°109.5°
H20CBKH21109.5°109.4°
H22CBOH23109.5°109.5°
H22CBOH24109.4°109.5°
H23CBOH24109.5°109.5°
H28CAFH29109.5°109.5°
H32CACH33109.5°109.4°
H36CAAH37109.4°109.5°
H36CAAH38109.5°109.5°
H37CAAH38109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAANABCACH34120.0°123.9°
CAANABCACCAD172.8°180.0°
CAANABCACH3252.8°60.0°
CAANABCACH3367.2°60.0°
NABCAAH36H37120.0°120.0°
NABCAAH36H38120.0°120.0°
NABCAAH37H38120.0°119.9°
NABCACCADH32120.0°120.0°
NABCACCADH33120.0°120.0°
NABCACCADOAE162.8°65.0°
NABCACCADCAF77.0°175.0°
NABCACCADH3042.3°55.0°
NABCACH32H33120.0°120.0°
CACNABCAAH36180.0°180.0°
CACNABCAAH3760.0°59.9°
CACNABCAAH3860.0°60.0°
CACCADOAECAF121.6°120.0°
CACCADOAEH30119.5°120.0°
CACCADCAFH30119.2°120.0°
CACCADCAFOAG169.6°175.0°
CACCADCAFH2870.7°55.0°
CACCADCAFH2950.0°65.0°
CACCADOAEH31180.0°60.0°
CADCACH32H33120.0°119.9°
CADCACNABH3467.1°56.0°
OAECADCAFH30119.8°119.9°
OAECADCAFOAG69.4°64.9°
OAECADCAFH2850.2°175.0°
OAECADCAFH29171.0°55.0°
OAECADCACH3242.8°175.0°
OAECADCACH3377.2°55.0°
CADCAFOAGH28119.6°120.0°
CADCAFOAGH29119.6°120.0°
CADCAFOAGCAH177.8°180.0°
CADCAFH28H29121.1°119.9°
CAFCADOAEH3158.4°60.0°
CAFCADCACH32163.0°55.0°
CAFCADCACH3343.0°65.0°
CBOCBNNBMCBI179.0°179.6°
CBOCBNNBMOBL179.9°180.0°
CBOCBNCBIC42.0°0.3°
CBOCBNCBICBJ179.8°179.9°
CBNCBOH22H23120.0°120.0°
CBNCBOH22H24120.0°120.0°
CBNCBOH23H24120.0°119.9°
CAFOAGCAHCAN1.2°179.9°
CAFOAGCAHCAI179.8°0.0°
OAGCAFH28H29121.1°120.0°
OAGCAFCADH3050.4°55.0°
CBNNBMOBLCBJ0.5°0.3°
NBMCBNCBIC4179.0°179.8°
NBMCBNCBICBJ0.8°0.4°
NBMCBNCBOH220.0°95.1°
NBMCBNCBOH23120.0°144.9°
NBMCBNCBOH24120.0°24.9°
OBLNBMCBNCBI0.8°0.5°
NBMOBLCBJCBI0.1°0.1°
NBMOBLCBJCBK179.5°179.9°
CBNCBICBJOBL0.4°0.2°
CBNCBIC4CBJ177.8°179.7°
CBNCBIC4C5120.0°123.0°
CBNCBIC4N361.1°56.7°
CBNCBICBJCBK180.0°179.7°
CBICBNCBOH22178.9°85.5°
CBICBNCBOH2358.9°34.6°
CBICBNCBOH2461.1°154.5°
OAGCAHCANCAI178.9°180.0°
OAGCAHCANCAM178.6°180.0°
OAGCAHCAICAJ179.4°179.7°
OAGCAHCANH251.4°0.0°
OAGCAHCAIH270.6°0.0°
CAHOAGCAFH2862.6°60.0°
CAHOAGCAFH2958.2°60.0°
OBLCBJCBIC4178.5°180.0°
OBLCBJCBICBK179.6°179.9°
OBLCBJCBKH190.0°89.9°
OBLCBJCBKH20120.0°30.2°
OBLCBJCBKH21120.0°150.1°
CBIC4C5CBF1.4°0.3°
CBIC4C5N3179.0°179.7°
CBIC4C5C6179.6°180.0°
C4CBICBJCBK1.9°0.1°
CBIC4N3C2178.6°179.7°
CBJCBIC4C562.2°56.7°
CBJCBIC4N3116.8°123.6°
CBICBJCBKH19179.5°89.9°
CBICBJCBKH2060.5°150.0°
CBICBJCBKH2159.5°30.1°
CBFC5C4C6179.0°179.8°
CBFC5C4N3179.6°180.0°
CBFC5C6NAR2.8°0.3°
CBFC5C6N1179.9°179.8°
C5CBFH16H17120.0°120.0°
C5CBFH16H18120.0°120.0°
C5CBFH17H18120.0°120.0°
CBDOBCCBANAX25.6°180.0°
CBDOBCCBAOBB154.1°0.0°
OBCCBDH1H2120.0°120.0°
OBCCBDH1H3120.0°120.0°
OBCCBDH2H3120.0°120.0°
C5C4N3C20.4°0.0°
C4C5C6NAR178.2°180.0°
C4C5C6N10.9°0.5°
C4C5CBFH1690.6°95.3°
C4C5CBFH17149.5°144.7°
C4C5CBFH1829.4°24.7°
N3C4C5C60.6°0.2°
C4N3C2N11.2°0.0°
C4N3C2CAM178.8°179.7°
CAHCANCAMH25180.0°180.0°
CAHCANCAMC2179.1°180.0°
CAHCANCAMCAK1.0°0.3°
CANCAHCAICAJ0.4°0.2°
CANCAHCAIH27179.6°180.0°
CAMCANCAHCAI0.3°0.0°
CANCAMC2N353.3°0.0°
CANCAMC2N1124.3°179.8°
CANCAMC2CAK178.0°179.8°
CANCAMCAKCAJ1.0°0.2°
CANCAMCAKCLAL179.8°179.7°
C5C6NARN1177.4°179.5°
C5C6N1C20.2°0.5°
C5C6NARCAU14.6°180.0°
C5C6NARCAS179.3°80.5°
C6C5CBFH1690.5°84.4°
C6C5CBFH1729.5°35.6°
C6C5CBFH18149.5°155.6°
CAWCAVCATH10120.1°119.9°
CAWCAVCATH11120.1°119.9°
CAVCAWNAXH8120.5°119.8°
CAVCAWNAXH9120.5°119.9°
CAWCAVCATCAU173.9°171.2°
CAWCAVCATCAS75.3°74.1°
CAWCAVCATCAZ57.0°57.7°
CAVCAWNAXCBA137.3°124.4°
CAVCAWNAXCAY42.9°55.3°
CAVCAWH8H9118.6°120.4°
CAWCAVH10H11119.8°120.1°
CATCAVCAWNAX47.4°52.5°
CAVCATCAUNAR110.1°90.9°
CAVCATCASNAR109.6°90.9°
CAVCATCAUCAS114.2°114.4°
CAVCATCAUCAZ129.2°131.0°
CAVCATCASCAZ131.5°131.4°
CAVCATCAZCAY57.7°57.7°
CAVCATCAZH662.5°177.6°
CAVCATCAZH7177.9°62.2°
CATCAVCAWH873.0°172.3°
CATCAVCAWH9167.9°67.3°
CATCAVH10H11119.8°120.1°
CAVCATCAUH126.4°154.8°
CAVCATCAUH13133.4°23.5°
CAVCATCASH14133.7°23.4°
CAVCATCASH157.1°154.8°
CBJCBKH19H20120.0°120.0°
CBJCBKH19H21120.0°120.0°
CBJCBKH20H21120.0°119.9°
CAHCAICAJH27180.0°179.7°
CAHCAICAJCAK0.4°0.3°
CAICAHCANH25179.7°180.0°
CAHCAICAJH26179.6°179.7°
N3C2N1C60.9°0.2°
N3C2N1CAM177.7°179.7°
N3C2CAMCAK128.7°179.8°
CAWNAXCBAOBC0.4°0.3°
CAWNAXCBACAY179.8°179.7°
CAWNAXCBAOBB179.9°179.7°
CAWNAXCAYCAZ42.8°55.3°
CAWNAXCAYH477.6°64.5°
CAWNAXCAYH5163.2°175.2°
NAXCAWH8H9118.6°120.2°
NAXCAWCAVH1072.6°67.5°
NAXCAWCAVH11167.5°172.3°
NARC6N1C2177.7°180.0°
C6NARCAUCAS168.6°113.0°
C6NARCAUCAT172.7°137.3°
C6NARCASCAT174.0°137.3°
C6NARCAUH1270.8°23.0°
C6NARCAUH1356.2°108.4°
C6NARCASH1457.3°108.4°
C6NARCASH1569.3°23.1°
C6N1C2CAM178.6°180.0°
N1C6NARCAU162.8°0.5°
N1C6NARCAS2.0°99.0°
N1C2CAMCAK53.6°0.0°
C2CAMCAKCAJ179.0°180.0°
C2CAMCAKCLAL1.8°0.0°
C2CAMCANH250.9°0.0°
NARCAUCATH12116.5°114.3°
NARCAUCATH13116.5°114.4°
CAUNARCASCAT4.2°24.4°
NARCAUCATCAZ120.7°138.2°
NARCAUH12H13129.4°131.9°
CAUNARCASH14112.5°138.7°
CAUNARCASH15120.9°89.9°
NARCASCATH14116.7°114.3°
NARCASCATH15116.7°114.3°
NARCASCATCAZ118.9°137.7°
CASNARCAUH12120.6°89.9°
CASNARCAUH13112.4°138.6°
NARCASH14H15128.9°131.9°
CAUCATCASCAZ114.8°114.3°
CAUCATCAZCAY173.6°171.1°
CAUCATCAZH666.3°51.2°
CAUCATCAZH753.4°68.9°
CAUCATCAVH1066.0°68.9°
CAUCATCAVH1153.9°51.3°
CATCAUH12H13129.4°131.7°
CAUCATCASH14112.6°137.8°
CAUCATCASH15120.8°90.9°
CAMCAKCAJCAI0.3°0.0°
CAMCAKCAJCLAL179.2°180.0°
CAKCAMCANH25179.0°179.8°
CAMCAKCAJH26179.7°180.0°
OBCCBANAXOBB179.7°180.0°
OBCCBANAXCAY179.8°180.0°
CBAOBCCBDH1180.0°180.0°
CBAOBCCBDH260.0°60.0°
CBAOBCCBDH360.0°60.0°
CASCATCAZCAY73.6°73.9°
CASCATCAZH6166.2°46.0°
CASCATCAZH746.6°166.1°
CASCATCAVH10164.6°166.0°
CASCATCAVH1144.8°45.8°
CASCATCAUH12120.6°90.8°
CASCATCAUH13112.4°137.9°
CATCASH14H15128.9°131.7°
CATCAZCAYNAX47.5°52.4°
CATCAZCAYH6120.2°119.9°
CATCAZCAYH7120.2°119.9°
CATCAZCAYH472.8°67.4°
CATCAZCAYH5167.9°172.3°
CATCAZH6H7119.4°120.1°
CAZCATCAVH1063.0°62.2°
CAZCATCAVH11177.1°177.6°
CAZCATCAUH12122.8°23.9°
CAZCATCAUH134.2°107.5°
CAZCATCASH142.2°108.0°
CAZCATCASH15124.4°23.4°
CAICAJCAKH26180.0°180.0°
CAICAJCAKCLAL179.5°180.0°
CBANAXCAYCAZ137.4°124.4°
CBANAXCAYH4102.2°115.8°
CBANAXCAYH517.1°4.5°
CBANAXCAWH8102.2°4.5°
CBANAXCAWH916.8°115.7°
CAYNAXCBAOBB0.1°0.0°
NAXCAYCAZH4120.3°119.8°
NAXCAYCAZH5120.4°119.9°
NAXCAYH4H5118.9°120.3°
NAXCAYCAZH672.7°172.3°
NAXCAYCAZH7167.7°67.5°
CAYNAXCAWH877.5°175.2°
CAYNAXCAWH9163.4°64.6°
CAKCAJCAIH27179.6°180.0°
CLALCAKCAJH260.5°0.0°
CAZCAYH4H5119.0°120.4°
CAYCAZH6H7119.4°120.2°
H1CBDH2H3120.0°120.0°
H4CAYCAZH6167.0°52.5°
H4CAYCAZH747.4°172.7°
H5CAYCAZH647.7°67.9°
H5CAYCAZH771.9°52.3°
H8CAWCAVH10166.9°52.3°
H8CAWCAVH1147.0°67.9°
H9CAWCAVH1047.8°172.7°
H9CAWCAVH1172.0°52.5°
H16CBFH17H18120.0°120.0°
H19CBKH20H21120.0°120.0°
H22CBOH23H24120.0°120.1°
H26CAJCAIH270.4°0.0°
H28CAFCADH30170.0°65.1°
H29CAFCADH3069.2°175.0°
H30CADOAEH3160.5°180.0°
H30CADCACH3277.7°65.0°
H30CADCACH33162.3°175.0°
H32CACNABH34172.9°64.0°
H33CACNABH3452.9°176.0°
H34NABCAAH3660.0°56.1°
H34NABCAAH3760.0°64.0°
H34NABCAAH38180.0°176.1°
H36CAAH37H38120.0°120.0°

222624

PDB entries from 2024-07-17

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