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3LS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAUCBLdoub1.21Å1.25Å
OABCACdoub1.22Å1.25Å
CBLCBIsing1.51Å1.53Å
CBLOBMsing1.34Å1.25Å
SAKCALsing1.76Å1.71ÅAromatic
SAKCAJsing1.76Å1.71ÅAromatic
CBICBCsing1.51Å1.53Å
OATCASdoub1.22Å1.25Å
CALCAMsing1.47Å1.33Å
CALCBBdoub1.36Å1.33ÅAromatic
SAHCAIsing1.76Å1.71ÅAromatic
SAHCAGsing1.76Å1.71ÅAromatic
CAMCBCdoub1.37Å1.33ÅAromatic
CAMSANsing1.76Å1.71ÅAromatic
SAECADsing1.76Å1.71ÅAromatic
SAECAFsing1.76Å1.70ÅAromatic
CAJCBAdoub1.37Å1.33ÅAromatic
CAJCAIsing1.47Å1.33Å
CACOAVsing1.35Å1.25Å
CACCADsing1.42Å1.33Å
CBCCBDsing1.37Å1.34ÅAromatic
CBBCBAsing1.37Å1.34ÅAromatic
OAACBJdoub1.21Å1.25Å
CAICAZdoub1.37Å1.33ÅAromatic
SANCAOsing1.76Å1.71ÅAromatic
CADCAWdoub1.37Å1.33ÅAromatic
CASOBGsing1.35Å1.25Å
CASCARsing1.42Å1.33Å
SAQCARsing1.76Å1.70ÅAromatic
SAQCAPsing1.76Å1.71ÅAromatic
CAGCAFsing1.47Å1.33Å
CAGCAYdoub1.37Å1.33ÅAromatic
CBDCAOdoub1.37Å1.34ÅAromatic
CAFCAXdoub1.37Å1.33ÅAromatic
CAOCAPsing1.47Å1.33Å
CARCBFdoub1.37Å1.33ÅAromatic
CAZCAYsing1.37Å1.34ÅAromatic
CAZCBHsing1.51Å1.53Å
CBJCBHsing1.51Å1.53Å
CBJOBKsing1.34Å1.25Å
CAPCBEdoub1.37Å1.33ÅAromatic
CAWCAXsing1.36Å1.34ÅAromatic
CBFCBEsing1.37Å1.34ÅAromatic
CAWHAWsing1.08Å1.08Å
CAXHAXsing1.08Å1.08Å
CAYHAYsing1.08Å1.08Å
CBAHBAsing1.08Å1.08Å
CBBHBBsing1.08Å1.08Å
CBHHBHsing1.09Å1.10Å
CBHHBIsing1.09Å1.10Å
CBIHBKsing1.09Å1.10Å
CBIHBJsing1.09Å1.10Å
OAVH1sing0.97Å0.95Å
CBDHBDsing1.08Å1.08Å
CBEHBEsing1.08Å1.08Å
CBFHBFsing1.08Å1.08Å
OBGH2sing0.97Å0.95Å
OBKH3sing0.97Å0.95Å
OBMH4sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAUCBLCBI117.0°120.0°
OAUCBLOBM125.9°120.0°
OABCACOAV120.0°120.0°
OABCACCAD119.9°120.0°
CBICBLOBM117.1°120.0°
CBLCBICBC110.0°109.5°
CBLCBIHBK109.3°109.5°
CBLCBIHBJ109.3°109.5°
CBLOBMH4109.5°117.0°
CALSAKCAJ93.6°91.2°
SAKCALCAM123.2°125.1°
SAKCALCBB107.7°109.7°
SAKCAJCBA107.5°109.7°
SAKCAJCAI121.9°125.1°
CBICBCCAM121.2°122.6°
CBICBCCBD121.0°122.6°
CBCCBIHBK109.3°109.4°
CBCCBIHBJ109.4°109.4°
OATCASOBG119.9°120.0°
OATCASCAR120.2°120.0°
CAMCALCBB120.7°125.2°
CALCAMCBC123.4°125.2°
CALCAMSAN121.1°125.1°
CALCBBCBA115.5°114.7°
CALCBBHBB122.3°122.7°
CAISAHCAG93.8°91.2°
SAHCAICAJ122.6°125.1°
SAHCAICAZ107.0°109.7°
SAHCAGCAF121.1°125.1°
SAHCAGCAY107.8°109.7°
CBCCAMSAN106.8°109.7°
CAMCBCCBD116.8°114.7°
CAMSANCAO93.8°91.2°
CADSAECAF93.1°91.2°
SAECADCAC121.2°125.2°
SAECADCAW108.0°109.6°
SAECAFCAG122.1°125.2°
SAECAFCAX108.2°109.6°
CBACAJCAI121.1°125.2°
CAJCBACBB115.7°114.7°
CAJCBAHBA122.2°122.7°
CAJCAICAZ123.6°125.2°
OAVCACCAD120.1°120.0°
CACOAVH1109.5°114.0°
CACCADCAW122.0°125.2°
CBCCBDCAO114.6°114.7°
CBCCBDHBD122.7°122.7°
CBBCBAHBA122.1°122.6°
CBACBBHBB122.2°122.6°
OAACBJCBH117.0°120.0°
OAACBJOBK126.0°120.0°
CAICAZCAY116.4°114.7°
CAICAZCBH120.7°122.7°
SANCAOCBD108.0°109.7°
SANCAOCAP121.7°125.1°
CADCAWCAX115.4°114.8°
CADCAWHAW122.3°122.6°
OBGCASCAR119.9°120.0°
CASOBGH2109.5°114.0°
CASCARSAQ122.6°125.2°
CASCARCBF122.8°125.1°
CARSAQCAP92.8°91.2°
SAQCARCBF108.5°109.7°
SAQCAPCAO122.6°125.2°
SAQCAPCBE108.4°109.7°
CAFCAGCAY121.2°125.2°
CAGCAFCAX122.4°125.2°
CAGCAYCAZ114.8°114.7°
CAGCAYHAY122.6°122.7°
CBDCAOCAP122.5°125.2°
CAOCBDHBD122.7°122.6°
CAFCAXCAW115.2°114.8°
CAFCAXHAX122.4°122.6°
CAOCAPCBE123.2°125.2°
CARCBFCBE115.2°114.7°
CARCBFHBF122.4°122.6°
CAYCAZCBH118.9°122.6°
CAZCAYHAY122.5°122.6°
CAZCBHCBJ108.8°109.4°
CAZCBHHBH109.7°109.5°
CAZCBHHBI109.7°109.4°
CBHCBJOBK117.0°120.0°
CBJCBHHBH109.6°109.5°
CBJCBHHBI109.6°109.5°
CBJOBKH3109.5°117.0°
CAPCBECBF115.1°114.7°
CAPCBEHBE122.5°122.7°
CAXCAWHAW122.3°122.6°
CAWCAXHAX122.4°122.7°
CBFCBEHBE122.5°122.6°
CBECBFHBF122.4°122.6°
HBHCBHHBI109.5°109.5°
HBKCBIHBJ109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAUCBLCBIOBM178.4°180.0°
OAUCBLCBICBC108.8°0.0°
OAUCBLCBIHBK131.1°120.0°
OAUCBLCBIHBJ11.3°120.0°
OAUCBLOBMH40.0°0.0°
OABCACCADSAE44.0°179.5°
OABCACOAVCAD178.1°180.0°
OABCACCADCAW172.3°0.0°
OABCACOAVH10.0°0.0°
CBLCBICBCHBK120.1°120.0°
CBLCBICBCHBJ120.1°120.1°
CBLCBICBCCAM140.6°85.0°
CBLCBICBCCBD27.4°95.0°
CBLCBIHBKHBJ119.7°120.1°
CBICBLOBMH4178.2°180.0°
OBMCBLCBICBC69.6°180.0°
OBMCBLCBIHBK50.5°60.0°
OBMCBLCBIHBJ170.3°60.0°
SAKCALCAMCBB144.1°179.7°
SAKCALCAMCBC16.1°0.3°
SAKCALCAMSAN159.6°179.4°
CALSAKCAJCBA2.1°0.3°
CALSAKCAJCAI148.7°179.9°
SAKCALCBBCBA0.2°0.2°
SAKCALCBBHBB179.9°180.0°
CAJSAKCALCAM149.2°180.0°
CAJSAKCALCBB1.2°0.3°
SAKCAJCAISAH85.1°180.0°
SAKCAJCBACAI146.9°179.8°
SAKCAJCBACBB2.7°0.2°
SAKCAJCAICAZ62.2°0.3°
SAKCAJCBAHBA177.3°179.8°
CBICBCCAMCAL46.0°0.0°
CBICBCCAMCBD168.5°180.0°
CBICBCCAMSAN166.2°179.8°
CBICBCCBDCAO167.0°180.0°
CBCCBIHBKHBJ119.8°119.9°
CBICBCCBDHBD13.1°0.0°
OATCASOBGCAR177.3°180.0°
OATCASCARSAQ7.3°179.7°
OATCASCARCBF141.9°0.0°
OATCASOBGH20.0°0.0°
CALCAMCBCSAN147.8°179.8°
CALCAMCBCCBD145.5°180.0°
CAMCALCBBCBA148.8°180.0°
CALCAMSANCAO146.8°180.0°
CAMCALCBBHBB31.2°0.3°
CBBCALCAMCBC128.0°180.0°
CBBCALCAMSAN15.5°0.2°
CALCBBCBACAJ1.9°0.0°
CALCBBCBAHBB180.0°179.8°
CALCBBCBAHBA178.1°180.0°
SAHCAICAJCBA132.8°0.2°
SAHCAICAJCAZ147.3°179.8°
CAISAHCAGCAF143.3°179.9°
CAISAHCAGCAY2.7°0.3°
SAHCAICAZCAY4.9°0.2°
SAHCAICAZCBH152.2°180.0°
SAHCAGCAFSAE36.6°179.4°
CAGSAHCAICAJ156.2°179.9°
CAGSAHCAICAZ4.2°0.3°
SAHCAGCAFCAY141.4°179.7°
SAHCAGCAFCAX176.8°0.3°
SAHCAGCAYCAZ0.4°0.3°
SAHCAGCAYHAY179.6°179.8°
CBCCAMSANCAO1.9°0.2°
CAMCBCCBDCAO1.6°0.1°
CAMCBCCBIHBK99.3°35.0°
CAMCBCCBIHBJ20.5°154.9°
CAMCBCCBDHBD178.4°179.9°
SANCAMCBCCBD2.3°0.2°
CAMSANCAOCBD1.2°0.2°
CAMSANCAOCAP150.9°180.0°
SAECADCACOAV134.0°0.5°
SAECADCACCAW143.7°179.5°
CADSAECAFCAG151.4°179.7°
CADSAECAFCAX0.6°0.0°
SAECADCAWCAX0.8°0.4°
SAECADCAWHAW179.2°180.0°
CAFSAECADCAC148.0°179.8°
CAFSAECADCAW0.1°0.2°
SAECAFCAGCAX146.7°179.6°
SAECAFCAGCAY178.0°0.4°
SAECAFCAXCAW1.2°0.3°
SAECAFCAXHAX178.7°179.7°
CAJCBACBBHBA180.0°180.0°
CBACAJCAICAZ79.9°180.0°
CAJCBACBBHBB178.1°179.8°
CAICAJCBACBB149.5°180.0°
CAJCAICAZCAY156.5°180.0°
CAJCAICAZCBH0.6°0.2°
CAICAJCBAHBA30.5°0.0°
OAVCACCADCAW9.6°180.0°
CACCADCAWCAX147.0°180.0°
CACCADCAWHAW33.0°0.5°
CADCACOAVH1178.1°180.0°
CBCCBDCAOSAN0.0°0.1°
CBCCBDCAOHBD180.0°180.0°
CBCCBDCAOCAP149.5°179.9°
CBDCBCCBIHBK92.6°145.0°
CBDCBCCBIHBJ147.5°25.1°
OAACBJCBHCAZ39.0°0.1°
OAACBJCBHOBK179.3°180.0°
OAACBJCBHHBH158.9°120.0°
OAACBJCBHHBI80.9°120.0°
OAACBJOBKH30.0°0.0°
CAICAZCAYCAG3.1°0.0°
CAICAZCAYCBH157.5°179.8°
CAICAZCBHCBJ93.0°85.0°
CAICAZCAYHAY176.9°180.0°
CAICAZCBHHBH147.1°155.0°
CAICAZCBHHBI26.9°34.9°
SANCAOCAPSAQ38.7°179.4°
SANCAOCBDCAP149.4°179.8°
SANCAOCAPCBE171.2°0.0°
SANCAOCBDHBD180.0°179.9°
CADCAWCAXCAF1.4°0.5°
CADCAWCAXHAW180.0°179.5°
CADCAWCAXHAX178.6°179.5°
OBGCASCARSAQ169.9°0.3°
OBGCASCARCBF40.9°180.0°
CASCARSAQCBF153.0°179.7°
CASCARSAQCAP154.2°179.7°
CASCARCBFCBE153.2°180.0°
CASCARCBFHBF26.8°0.0°
CARCASOBGH2177.2°179.9°
CARSAQCAPCAO155.8°179.8°
CARSAQCAPCBE1.9°0.3°
SAQCARCBFCBE0.3°0.3°
SAQCARCBFHBF179.8°179.7°
SAQCAPCAOCBD106.6°0.8°
SAQCAPCAOCBE150.1°179.4°
CAPSAQCARCBF1.2°0.0°
SAQCAPCBECBF2.1°0.5°
SAQCAPCBEHBE177.9°179.5°
CAFCAGCAYCAZ145.6°179.9°
CAGCAFCAXCAW151.9°179.9°
CAGCAFCAXHAX28.1°0.0°
CAFCAGCAYHAY34.4°0.0°
CAYCAGCAFCAX35.3°180.0°
CAGCAYCAZHAY180.0°179.9°
CAGCAYCAZCBH154.4°179.8°
CBDCAOCAPCBE43.4°179.8°
CAFCAXCAWHAX180.0°180.0°
CAFCAXCAWHAW178.6°180.0°
CAOCAPCBECBF155.8°180.0°
CAPCAOCBDHBD30.5°0.1°
CAOCAPCBEHBE24.2°0.1°
CARCBFCBECAP1.3°0.5°
CARCBFCBEHBF180.0°180.0°
CARCBFCBEHBE178.8°179.5°
CAYCAZCBHCBJ63.6°94.8°
CAYCAZCBHHBH56.3°25.2°
CAYCAZCBHHBI176.5°145.2°
CAZCBHCBJHBH119.9°120.0°
CAZCBHCBJHBI119.9°119.9°
CAZCBHCBJOBK140.3°180.0°
CBHCAZCAYHAY25.6°0.1°
CAZCBHHBHHBI120.3°120.0°
CBJCBHHBHHBI120.3°120.0°
CBHCBJOBKH3179.2°179.9°
OBKCBJCBHHBH20.4°60.0°
OBKCBJCBHHBI99.8°60.0°
CAPCBECBFHBE180.0°179.9°
CAPCBECBFHBF178.7°179.4°
HAWCAWCAXHAX1.4°0.0°
HBACBACBBHBB1.9°0.2°
HBECBECBFHBF1.3°0.5°

246905

PDB entries from 2025-12-31

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