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1RE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CALOAVsing1.43Å1.43Å
CALCAOsing1.53Å1.55Å
OAVCAKsing1.43Å1.43Å
CAKCANsing1.53Å1.55Å
CAONBFsing1.47Å1.48Å
NBFCANsing1.47Å1.48Å
NBFCAPsing1.47Å1.47Å
CAPCAMsing1.53Å1.54Å
CAMOAXsing1.43Å1.42Å
OAXCBDsing1.35Å1.38Å
NARCBDdoub1.33Å1.37ÅAromatic
NARCBBsing1.33Å1.35ÅAromatic
CAHCAGdoub1.38Å1.40ÅAromatic
CAHCBAsing1.39Å1.41ÅAromatic
NATCBBsing1.38Å1.41Å
NATCBAsing1.39Å1.42Å
CBDNASsing1.33Å1.34ÅAromatic
CBBNAQdoub1.33Å1.34ÅAromatic
CAGCAZsing1.40Å1.41ÅAromatic
CBACAIdoub1.39Å1.43ÅAromatic
NASCBCdoub1.33Å1.34ÅAromatic
NAQCBCsing1.33Å1.34ÅAromatic
CAZCAEsing1.43Å1.46Å
CAZCBEdoub1.40Å1.42ÅAromatic
CAICBEsing1.38Å1.44ÅAromatic
CBCOAUsing1.35Å1.38Å
CAENADtrip1.14Å1.16Å
CBEOAWsing1.36Å1.40Å
OAUCAAsing1.43Å1.43Å
OAWCAJsing1.43Å1.42Å
CABCAYsing1.53Å1.52Å
CAJCAFsing1.53Å1.53Å
CAFCAYsing1.53Å1.36Å
CAYCACsing1.53Å1.52Å
CACH1sing1.09Å1.10Å
CACH2sing1.09Å1.10Å
CACH3sing1.09Å1.10Å
CAYH4sing1.09Å1.10Å
CABH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CAFH8sing1.09Å1.10Å
CAFH9sing1.09Å1.10Å
CAJH10sing1.09Å1.10Å
CAJH11sing1.09Å1.10Å
CAHH12sing1.08Å1.08Å
CAGH13sing1.08Å1.08Å
CAIH14sing1.08Å1.08Å
NATH15sing0.97Å1.00Å
CAAH16sing1.09Å1.10Å
CAAH17sing1.09Å1.10Å
CAAH18sing1.09Å1.10Å
CAMH19sing1.09Å1.10Å
CAMH20sing1.09Å1.10Å
CAPH21sing1.09Å1.10Å
CAPH22sing1.09Å1.10Å
CAOH24sing1.09Å1.10Å
CAOH25sing1.09Å1.10Å
CALH26sing1.09Å1.10Å
CALH27sing1.09Å1.10Å
CAKH28sing1.09Å1.10Å
CAKH29sing1.09Å1.10Å
CANH30sing1.09Å1.10Å
CANH31sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAVCALCAO110.7°109.3°
CALOAVCAK113.0°113.8°
OAVCALH26109.2°109.5°
OAVCALH27109.2°109.5°
CALCAONBF109.7°109.3°
CALCAOH24109.4°109.5°
CALCAOH25109.4°109.5°
CAOCALH26109.2°109.5°
CAOCALH27109.2°109.5°
OAVCAKCAN109.9°109.3°
OAVCAKH28109.4°109.5°
OAVCAKH29109.4°109.5°
CAKCANNBF109.9°109.2°
CANCAKH28109.4°109.5°
CANCAKH29109.4°109.5°
CAKCANH30109.4°109.5°
CAKCANH31109.4°109.5°
CAONBFCAN108.0°110.8°
CAONBFCAP111.6°111.0°
NBFCAOH24109.4°109.5°
NBFCAOH25109.4°109.5°
CANNBFCAP109.9°111.0°
NBFCANH30109.4°109.5°
NBFCANH31109.4°109.5°
NBFCAPCAM115.3°109.4°
NBFCAPH21108.0°109.5°
NBFCAPH22108.0°109.5°
CAPCAMOAX108.8°109.5°
CAPCAMH19109.6°109.5°
CAPCAMH20109.7°109.5°
CAMCAPH21108.0°109.4°
CAMCAPH22108.0°109.4°
CAMOAXCBD124.3°117.0°
OAXCAMH19109.7°109.4°
OAXCAMH20109.7°109.5°
OAXCBDNAR125.0°120.0°
OAXCBDNAS111.9°120.0°
CBDNARCBB116.9°120.0°
NARCBDNAS123.1°120.0°
NARCBBNAT117.3°120.0°
NARCBBNAQ121.4°120.0°
CAGCAHCBA120.9°120.2°
CAHCAGCAZ121.9°120.0°
CAGCAHH12119.5°119.9°
CAHCAGH13119.1°120.1°
CAHCBANAT118.3°119.8°
CAHCBACAI117.2°120.2°
CBACAHH12119.6°119.9°
CBBNATCBA130.9°120.0°
NATCBBNAQ121.3°120.0°
CBBNATH15114.6°120.0°
NATCBACAI124.5°119.9°
CBANATH15114.5°119.9°
CBDNASCBC116.9°120.0°
CBBNAQCBC118.9°120.0°
CAGCAZCAE119.6°120.1°
CAGCAZCBE119.8°119.8°
CAZCAGH13119.1°120.0°
CBACAICBE122.5°120.0°
CBACAIH14118.8°120.0°
NASCBCNAQ122.7°120.1°
NASCBCOAU115.8°120.0°
NAQCBCOAU121.5°120.0°
CAECAZCBE120.6°120.1°
CAZCAENAD178.7°180.0°
CAZCBECAI117.7°119.8°
CAZCBEOAW116.6°120.2°
CAICBEOAW125.6°120.1°
CBECAIH14118.7°120.0°
CBCOAUCAA117.4°117.0°
CBEOAWCAJ124.1°117.0°
OAUCAAH16109.5°109.5°
OAUCAAH17109.5°109.5°
OAUCAAH18109.5°109.5°
OAWCAJCAF113.0°109.5°
OAWCAJH10108.6°109.5°
OAWCAJH11108.6°109.5°
CABCAYCAF116.4°109.4°
CABCAYCAC120.9°109.5°
CABCAYH493.4°109.5°
CAYCABH5109.5°109.5°
CAYCABH6109.5°109.4°
CAYCABH7109.5°109.5°
CAJCAFCAY130.0°109.5°
CAJCAFH8104.2°109.5°
CAJCAFH9104.1°109.4°
CAFCAJH10108.6°109.5°
CAFCAJH11108.6°109.5°
CAFCAYCAC121.6°109.5°
CAFCAYH493.8°109.4°
CAYCAFH8104.1°109.5°
CAYCAFH9104.1°109.5°
CAYCACH1109.5°109.5°
CAYCACH2109.5°109.4°
CAYCACH3109.5°109.4°
CACCAYH493.4°109.5°
H1CACH2109.5°109.5°
H1CACH3109.5°109.5°
H2CACH3109.5°109.5°
H5CABH6109.5°109.5°
H5CABH7109.4°109.5°
H6CABH7109.5°109.5°
H8CAFH9109.4°109.4°
H10CAJH11109.4°109.5°
H16CAAH17109.5°109.4°
H16CAAH18109.4°109.4°
H17CAAH18109.5°109.5°
H19CAMH20109.4°109.5°
H21CAPH22109.5°109.6°
H24CAOH25109.5°109.5°
H26CALH27109.5°109.6°
H28CAKH29109.5°109.5°
H30CANH31109.5°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAVCALCAOH26120.2°119.9°
OAVCALCAOH27120.2°120.0°
CALOAVCAKCAN56.5°58.7°
OAVCALCAONBF57.3°56.8°
OAVCALCAOH2462.8°176.8°
OAVCALCAOH25177.3°63.1°
OAVCALH26H27119.4°120.1°
CALOAVCAKH2863.6°61.3°
CALOAVCAKH29176.5°178.6°
CAOCALOAVCAK56.1°58.6°
CALCAONBFH24120.0°119.9°
CALCAONBFH25120.0°119.9°
CALCAONBFCAN59.6°58.6°
CALCAONBFCAP179.5°177.7°
CALCAOH24H25119.9°120.1°
CAOCALH26H27119.5°120.1°
OAVCAKCANH28120.1°119.9°
OAVCAKCANH29120.1°120.0°
OAVCAKCANNBF58.7°56.8°
CAKOAVCALH26176.3°61.2°
CAKOAVCALH2764.0°178.6°
OAVCAKH28H29119.8°120.1°
OAVCAKCANH30178.7°63.1°
OAVCAKCANH3161.4°176.7°
CAKCANNBFCAO60.5°58.6°
CAKCANNBFH30120.1°119.9°
CAKCANNBFH31120.1°119.9°
CAKCANNBFCAP177.5°177.6°
CANCAKH28H29119.8°120.1°
CAKCANH30H31119.8°120.1°
CAONBFCANCAP122.0°123.8°
CAONBFCAPCAM90.5°66.4°
CAONBFCAPH21148.7°53.6°
CAONBFCAPH2230.4°173.7°
NBFCAOH24H25119.9°120.1°
NBFCAOCALH26177.4°63.1°
NBFCAOCALH2762.9°176.8°
CAONBFCANH30179.4°61.3°
CAONBFCANH3159.5°178.5°
CANNBFCAPCAM149.8°170.0°
CANNBFCAPH2128.9°70.1°
CANNBFCAPH2289.4°50.0°
CANNBFCAOH2460.4°178.5°
CANNBFCAOH25179.7°61.4°
NBFCANCAKH2861.4°63.1°
NBFCANCAKH29178.7°176.8°
NBFCANH30H31119.8°120.1°
NBFCAPCAMH21120.8°120.0°
NBFCAPCAMH22120.9°119.9°
NBFCAPCAMOAX139.3°65.0°
NBFCAPCAMH19100.8°55.0°
NBFCAPCAMH2019.4°175.0°
NBFCAPH21H22117.4°120.1°
CAPNBFCAOH2460.5°57.7°
CAPNBFCAOH2559.4°62.4°
CAPNBFCANH3057.4°62.5°
CAPNBFCANH3162.4°57.7°
CAPCAMOAXH19119.9°120.1°
CAPCAMOAXH20119.9°120.0°
CAPCAMOAXCBD141.3°180.0°
CAPCAMH19H20120.3°120.0°
CAMCAPH21H22117.4°120.0°
CAMOAXCBDNAR50.3°180.0°
CAMOAXCBDNAS131.1°0.0°
OAXCAMH19H20120.3°120.0°
OAXCAMCAPH2118.5°175.0°
OAXCAMCAPH2299.8°54.9°
OAXCBDNARNAS178.5°180.0°
OAXCBDNARCBB178.9°180.0°
OAXCBDNASCBC179.3°180.0°
CBDOAXCAMH1921.4°60.0°
CBDOAXCAMH2098.8°60.0°
CBDNARCBBNAT179.8°180.0°
CBDNARCBBNAQ0.0°0.0°
NARCBDNASCBC0.7°0.0°
NARCBBNATNAQ179.8°180.0°
NARCBBNATCBA171.7°174.5°
CBBNARCBDNAS0.4°0.0°
NARCBBNAQCBC0.1°0.0°
NARCBBNATH158.3°5.5°
CAGCAHCBAH12180.0°179.9°
CAGCAHCBANAT179.0°179.8°
CAHCAGCAZH13180.0°180.0°
CAGCAHCBACAI0.1°0.0°
CAHCAGCAZCAE179.7°180.0°
CAHCAGCAZCBE0.1°0.0°
CAHCBANATCBB174.8°33.8°
CAHCBANATCAI178.8°179.7°
CBACAHCAGCAZ0.1°0.1°
CAHCBACAICBE0.1°0.0°
CBACAHCAGH13179.9°179.9°
CAHCBACAIH14179.9°180.0°
CAHCBANATH155.2°146.2°
CBBNATCBAH15180.0°180.0°
CBBNATCBACAI6.4°146.5°
NATCBBNAQCBC179.7°180.0°
CBANATCBBNAQ8.5°5.5°
NATCBACAICBE178.9°179.7°
NATCBACAHH121.0°0.3°
NATCBACAIH141.1°0.3°
CBDNASCBCNAQ0.6°0.0°
CBDNASCBCOAU179.8°180.0°
CBBNAQCBCNAS0.2°0.0°
CBBNAQCBCOAU179.8°180.0°
NAQCBBNATH15171.5°174.5°
CAGCAZCAECBE179.6°179.9°
CAGCAZCBECAI0.1°0.0°
CAGCAZCAENAD84.2°93.0°
CAGCAZCBEOAW179.8°180.0°
CAZCAGCAHH12179.9°180.0°
CBACAICBECAZ0.1°0.0°
CBACAICBEH14180.0°180.0°
CBACAICBEOAW179.8°180.0°
CAICBACAHH12179.9°180.0°
CAICBANATH15173.6°33.5°
NASCBCNAQOAU179.6°180.0°
NASCBCOAUCAA160.5°0.0°
NAQCBCOAUCAA19.1°180.0°
CAECAZCBECAI179.7°179.9°
CAECAZCBEOAW0.2°0.0°
CAECAZCAGH130.3°0.0°
CAZCBECAIOAW179.9°180.0°
CBECAZCAENAD96.2°87.1°
CAZCBEOAWCAJ164.1°180.0°
CBECAZCAGH13179.9°179.9°
CAZCBECAIH14179.9°180.0°
CAICBEOAWCAJ15.8°0.0°
CBCOAUCAAH16180.0°60.0°
CBCOAUCAAH1760.0°60.0°
CBCOAUCAAH1860.0°180.0°
CBEOAWCAJCAF88.8°180.0°
CBEOAWCAJH10150.7°60.0°
CBEOAWCAJH1131.8°60.0°
OAWCBECAIH140.2°0.0°
OAUCAAH16H17120.1°120.1°
OAUCAAH16H18120.0°120.0°
OAUCAAH17H18120.0°120.0°
OAWCAJCAFH10120.5°120.0°
OAWCAJCAFH11120.6°120.0°
OAWCAJCAFCAY61.1°180.0°
OAWCAJCAFH8176.3°59.9°
OAWCAJCAFH961.6°60.0°
OAWCAJH10H11118.4°120.0°
CABCAYCAFCAJ153.3°65.0°
CABCAYCAFCAC168.0°120.0°
CABCAYCAFH495.7°120.0°
CABCAYCACH496.0°120.1°
CABCAYCACH1180.0°60.0°
CABCAYCACH260.0°180.0°
CABCAYCACH360.0°60.0°
CAYCABH5H6120.0°119.9°
CAYCABH5H7120.0°120.0°
CAYCABH6H7120.0°120.0°
CABCAYCAFH884.0°55.0°
CABCAYCAFH930.7°175.0°
CAJCAFCAYH8122.7°120.1°
CAJCAFCAYH9122.6°120.0°
CAJCAFCAYCAC14.7°175.0°
CAJCAFCAYH4111.0°55.0°
CAJCAFH8H9110.8°119.9°
CAFCAJH10H11118.4°120.0°
CAFCAYCACH496.6°120.0°
CAFCAYCACH112.6°179.9°
CAFCAYCACH2132.6°60.0°
CAFCAYCACH3107.4°60.0°
CAFCAYCABH5180.0°60.0°
CAFCAYCABH660.0°180.0°
CAFCAYCABH760.0°60.0°
CAYCAFH8H9110.9°120.0°
CAYCAFCAJH1059.5°60.0°
CAYCAFCAJH11178.4°60.0°
CAYCACH1H2120.0°120.0°
CAYCACH1H3120.0°120.0°
CAYCACH2H3120.0°120.0°
CACCAYCABH511.9°180.0°
CACCAYCABH6131.9°60.0°
CACCAYCABH7108.0°60.0°
CACCAYCAFH8108.0°65.0°
CACCAYCAFH9137.3°55.0°
H1CACH2H3120.0°120.0°
H1CACCAYH484.0°60.1°
H2CACCAYH436.0°60.0°
H3CACCAYH4156.0°180.0°
H4CAYCABH584.1°59.9°
H4CAYCABH635.9°60.0°
H4CAYCABH7156.0°180.0°
H4CAYCAFH811.7°175.0°
H4CAYCAFH9126.3°65.0°
H5CABH6H7120.0°120.0°
H8CAFCAJH1063.2°179.9°
H8CAFCAJH1155.7°60.0°
H9CAFCAJH10177.9°60.0°
H9CAFCAJH1158.9°180.0°
H12CAHCAGH130.1°0.0°
H16CAAH17H18119.9°119.9°
H19CAMCAPH21138.4°65.0°
H19CAMCAPH2220.1°174.9°
H20CAMCAPH21101.4°55.0°
H20CAMCAPH22140.3°65.0°
H24CAOCALH2657.4°56.9°
H24CAOCALH27177.1°63.3°
H25CAOCALH2662.5°177.0°
H25CAOCALH2757.2°56.8°
H28CAKCANH3058.6°177.0°
H28CAKCANH31178.5°56.8°
H29CAKCANH3061.2°56.9°
H29CAKCANH3158.6°63.3°

223532

PDB entries from 2024-08-07

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