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E5S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAAOAVsing1.43Å1.44Å
OAVCBCsing1.43Å1.45Å
CBCCBAsing1.55Å1.49Å
CBCCASsing1.54Å1.52Å
CBAOABsing1.43Å1.45Å
CBACARsing1.55Å1.52Å
CASNBEsing1.47Å1.50Å
CARNBEsing1.48Å1.50Å
NBECAYsing1.39Å1.34Å
CAYCALdoub1.39Å1.42ÅAromatic
CAYNAUsing1.32Å1.35ÅAromatic
CALCAKsing1.38Å1.42ÅAromatic
CAGCAFdoub1.38Å1.42ÅAromatic
CAGCAIsing1.38Å1.42ÅAromatic
CAFCAHsing1.38Å1.42ÅAromatic
NAUCAZdoub1.32Å1.36ÅAromatic
CAICAWdoub1.38Å1.42ÅAromatic
CAKCAXdoub1.40Å1.42ÅAromatic
CAHCAJdoub1.38Å1.42ÅAromatic
CAZCAXsing1.39Å1.43ÅAromatic
CAZCAQsing1.51Å1.41Å
CAWCAJsing1.38Å1.43ÅAromatic
CAWCAQsing1.51Å1.42Å
CAXCADsing1.43Å1.45Å
CADCAEtrip1.17Å1.24Å
CAECBFsing1.47Å1.50Å
CAMCBBsing1.53Å1.55Å
CAMCAOsing1.53Å1.55Å
CBBCBFsing1.53Å1.56Å
CBBCANsing1.53Å1.56Å
CBFOACsing1.43Å1.44Å
CBFCATsing1.53Å1.55Å
CAONBDsing1.47Å1.51Å
CATNBDsing1.47Å1.51Å
CANCAPsing1.53Å1.55Å
NBDCAPsing1.47Å1.50Å
CAOH1sing1.09Å1.10Å
CAOH2sing1.09Å1.10Å
CAMH3sing1.09Å1.10Å
CAMH4sing1.09Å1.10Å
CBBH5sing1.09Å1.10Å
CANH6sing1.09Å1.10Å
CANH7sing1.09Å1.10Å
CAPH8sing1.09Å1.10Å
CAPH9sing1.09Å1.10Å
CATH11sing1.09Å1.10Å
CATH12sing1.09Å1.10Å
OACH13sing0.97Å0.95Å
CAKH14sing1.08Å1.08Å
CALH15sing1.08Å1.08Å
CASH16sing1.09Å1.10Å
CASH17sing1.09Å1.10Å
CARH18sing1.09Å1.10Å
CARH19sing1.09Å1.10Å
CBAH20sing1.09Å1.10Å
OABH21sing0.97Å0.95Å
CBCH22sing1.09Å1.10Å
CAAH23sing1.09Å1.10Å
CAAH24sing1.09Å1.10Å
CAAH25sing1.09Å1.10Å
CAQH26sing1.09Å1.10Å
CAQH27sing1.09Å1.10Å
CAIH28sing1.08Å1.08Å
CAGH29sing1.08Å1.08Å
CAFH30sing1.08Å1.08Å
CAHH31sing1.08Å1.08Å
CAJH32sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAAOAVCBC111.2°114.0°
OAVCAAH23109.5°109.5°
OAVCAAH24109.5°109.5°
OAVCAAH25109.5°109.5°
OAVCBCCBA110.5°110.7°
OAVCBCCAS115.6°110.7°
OAVCBCH22110.7°110.7°
CBACBCCAS100.1°103.0°
CBCCBAOAB115.1°111.1°
CBCCBACAR98.5°101.6°
CBCCBAH20110.2°111.0°
CBACBCH22109.9°110.8°
CBCCASNBE98.1°107.2°
CBCCASH16112.2°109.9°
CBCCASH17112.2°110.0°
CASCBCH22109.6°110.8°
OABCBACAR111.9°111.0°
OABCBAH20110.8°110.9°
CBAOABH21109.5°114.0°
CBACARNBE102.7°104.8°
CBACARH18111.1°110.4°
CBACARH19111.1°110.5°
CARCBAH20109.8°110.9°
CASNBECAR108.2°108.6°
CASNBECAY128.4°111.0°
NBECASH16112.2°109.9°
NBECASH17112.2°109.9°
CARNBECAY123.1°111.0°
NBECARH18111.1°110.3°
NBECARH19111.1°110.3°
NBECAYCAL122.6°119.5°
NBECAYNAU117.7°119.6°
CALCAYNAU119.7°120.9°
CAYCALCAK117.8°119.3°
CAYCALH15121.1°120.4°
CAYNAUCAZ124.6°121.8°
CALCAKCAX120.6°118.4°
CALCAKH14119.7°120.8°
CAKCALH15121.1°120.4°
CAFCAGCAI120.6°120.0°
CAGCAFCAH119.0°120.0°
CAFCAGH29119.7°120.0°
CAGCAFH30120.5°120.0°
CAGCAICAW120.8°120.0°
CAGCAIH28119.6°120.0°
CAICAGH29119.7°120.0°
CAFCAHCAJ120.5°120.0°
CAHCAFH30120.5°120.0°
CAFCAHH31119.7°120.0°
NAUCAZCAX118.5°120.6°
NAUCAZCAQ117.9°119.7°
CAICAWCAJ118.1°120.0°
CAICAWCAQ120.9°120.0°
CAWCAIH28119.6°120.0°
CAKCAXCAZ118.7°119.0°
CAKCAXCAD119.4°120.5°
CAXCAKH14119.7°120.8°
CAHCAJCAW120.9°120.0°
CAJCAHH31119.8°120.0°
CAHCAJH32119.5°120.0°
CAXCAZCAQ123.7°119.7°
CAZCAXCAD121.9°120.5°
CAZCAQCAW109.1°109.5°
CAZCAQH26109.6°109.5°
CAZCAQH27109.6°109.5°
CAJCAWCAQ120.9°120.0°
CAWCAJH32119.5°120.0°
CAWCAQH26109.6°109.5°
CAWCAQH27109.6°109.4°
CAXCADCAE175.8°180.0°
CADCAECBF176.3°180.0°
CAECBFCBB110.8°109.6°
CAECBFOAC110.3°109.6°
CAECBFCAT108.3°109.7°
CBBCAMCAO108.3°108.8°
CAMCBBCBF109.5°108.6°
CAMCBBCAN108.6°108.6°
CBBCAMH3109.8°109.6°
CBBCAMH4109.8°109.5°
CAMCBBH5109.8°110.1°
CAMCAONBD110.2°109.4°
CAMCAOH1109.3°109.5°
CAMCAOH2109.3°109.5°
CAOCAMH3109.8°109.6°
CAOCAMH4109.8°109.6°
CBFCBBCAN109.5°108.6°
CBBCBFOAC109.1°109.6°
CBBCBFCAT108.8°108.9°
CBFCBBH5109.7°110.1°
CBBCANCAP107.9°108.8°
CANCBBH5109.7°110.7°
CBBCANH6109.9°109.6°
CBBCANH7109.8°109.6°
OACCBFCAT109.5°109.5°
CBFOACH13109.5°114.0°
CBFCATNBD109.8°109.3°
CBFCATH11109.4°109.5°
CBFCATH12109.4°109.6°
CAONBDCAT110.3°111.0°
CAONBDCAP110.5°111.1°
NBDCAOH1109.3°109.5°
NBDCAOH2109.3°109.5°
CATNBDCAP109.4°111.0°
NBDCATH11109.4°109.5°
NBDCATH12109.4°109.5°
CANCAPNBD110.6°109.4°
CAPCANH6109.8°109.6°
CAPCANH7109.9°109.6°
CANCAPH8109.2°109.5°
CANCAPH9109.2°109.5°
NBDCAPH8109.2°109.5°
NBDCAPH9109.2°109.5°
H1CAOH2109.5°109.5°
H3CAMH4109.5°109.7°
H6CANH7109.5°109.7°
H8CAPH9109.5°109.5°
H11CATH12109.5°109.5°
H16CASH17109.5°109.9°
H18CARH19109.5°110.4°
H23CAAH24109.5°109.5°
H23CAAH25109.4°109.4°
H24CAAH25109.5°109.4°
H26CAQH27109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAAOAVCBCCBA161.7°150.0°
CAAOAVCBCCAS85.6°96.4°
CAAOAVCBCH2239.7°26.8°
OAVCAAH23H24120.0°120.0°
OAVCAAH23H25120.0°120.0°
OAVCAAH24H25120.0°120.0°
OAVCBCCBACAS122.3°118.3°
OAVCBCCBAH22122.4°123.2°
OAVCBCCASH22125.8°123.2°
OAVCBCCBAOAB59.0°35.9°
OAVCBCCBACAR178.0°154.0°
OAVCBCCASNBE169.3°140.7°
OAVCBCCASH1672.6°21.3°
OAVCBCCASH1751.2°99.9°
OAVCBCCBAH2067.2°87.9°
CBCOAVCAAH23180.0°60.0°
CBCOAVCAAH2460.0°60.0°
CBCOAVCAAH2560.0°180.0°
CBACBCCASH22115.5°118.5°
CBCCBAOABCAR111.3°112.3°
CBCCBAOABH20125.9°124.0°
CBCCBACARH20115.1°118.1°
CBACBCCASNBE50.6°22.4°
CBCCBACARNBE37.9°37.1°
CBACBCCASH16168.7°97.0°
CBACBCCASH1767.5°141.8°
CBCCBACARH18156.8°81.7°
CBCCBACARH1981.0°155.9°
CBCCBAOABH21180.0°173.7°
CASCBCCBAOAB63.3°82.4°
CASCBCCBACAR55.7°35.7°
CBCCASNBEH16118.1°119.5°
CBCCASNBEH17118.1°119.5°
CBCCASNBECAR26.4°0.9°
CBCCASNBECAY147.9°123.2°
CBCCASH16H17125.3°121.2°
CASCBCCBAH20170.5°153.8°
OABCBACARH20123.5°123.7°
OABCBACARNBE83.5°81.1°
OABCBACARH1835.4°160.2°
OABCBACARH19157.6°37.8°
OABCBACBCH22178.5°159.1°
CBACARNBECAS6.8°24.1°
CBACARNBEH18118.9°118.8°
CBACARNBEH19118.9°118.9°
CBACARNBECAY178.5°146.4°
CBACARH18H19123.1°122.4°
CARCBAOABH2168.7°61.4°
CARCBACBCH2259.5°82.7°
CASNBECARCAY174.7°122.3°
CASNBECAYCAL8.5°180.0°
CASNBECAYNAU171.0°0.0°
NBECASH16H17125.3°121.0°
CASNBECARH18125.7°94.8°
CASNBECARH19112.1°143.0°
NBECASCBCH2264.9°96.1°
CARNBECAYCAL178.0°59.2°
CARNBECAYNAU2.5°120.9°
CARNBECASH16144.5°120.4°
CARNBECASH1791.7°118.6°
NBECARH18H19123.1°122.2°
NBECARCBAH20153.0°155.2°
NBECAYCALNAU179.5°180.0°
NBECAYCALCAK179.4°180.0°
NBECAYNAUCAZ179.7°179.7°
NBECAYCALH150.6°0.0°
CAYNBECASH1629.8°117.3°
CAYNBECASH1794.0°3.7°
CAYNBECARH1859.6°27.5°
CAYNBECARH1962.5°94.7°
CAYCALCAKH15180.0°180.0°
CALCAYNAUCAZ0.8°0.2°
CAYCALCAKCAX1.0°0.0°
CAYCALCAKH14179.0°180.0°
NAUCAYCALCAK1.1°0.1°
CAYNAUCAZCAX0.2°0.5°
CAYNAUCAZCAQ179.0°180.0°
NAUCAYCALH15178.9°180.0°
CALCAKCAXH14180.0°180.0°
CALCAKCAXCAZ0.4°0.3°
CALCAKCAXCAD179.9°180.0°
CAFCAGCAIH29180.0°179.9°
CAGCAFCAHH30180.0°179.9°
CAFCAGCAICAW0.1°0.0°
CAGCAFCAHCAJ0.1°0.1°
CAFCAGCAIH28179.9°180.0°
CAGCAFCAHH31180.0°180.0°
CAICAGCAFCAH0.0°0.1°
CAGCAICAWH28180.0°180.0°
CAGCAICAWCAJ0.1°0.0°
CAGCAICAWCAQ179.3°179.7°
CAICAGCAFH30180.0°180.0°
CAFCAHCAJH31180.0°180.0°
CAFCAHCAJCAW0.0°0.0°
CAHCAFCAGH29180.0°180.0°
CAFCAHCAJH32180.0°179.8°
NAUCAZCAXCAK0.0°0.5°
NAUCAZCAXCAQ178.8°179.5°
NAUCAZCAQCAW77.2°90.0°
NAUCAZCAXCAD179.5°179.7°
NAUCAZCAQH26162.8°150.0°
NAUCAZCAQH2742.7°30.0°
CAICAWCAJCAH0.1°0.0°
CAICAWCAQCAZ87.8°89.7°
CAICAWCAJCAQ179.1°179.7°
CAICAWCAQH26152.2°150.2°
CAICAWCAQH2732.1°30.3°
CAWCAICAGH29179.9°180.0°
CAICAWCAJH32179.9°179.7°
CAKCAXCAZCAD179.5°179.7°
CAKCAXCAZCAQ178.8°180.0°
CAKCAXCADCAE121.8°159.3°
CAXCAKCALH15179.0°180.0°
CAHCAJCAWH32180.0°179.7°
CAHCAJCAWCAQ179.2°179.7°
CAJCAHCAFH30179.9°180.0°
CAXCAZCAQCAW101.5°90.5°
CAZCAXCADCAE57.7°21.0°
CAZCAXCAKH14179.6°179.7°
CAXCAZCAQH2618.4°29.5°
CAXCAZCAQH27138.5°149.5°
CAZCAQCAWCAJ91.3°90.0°
CAZCAQCAWH26119.9°120.0°
CAZCAQCAWH27120.0°120.0°
CAQCAZCAXCAD1.7°0.2°
CAZCAQH26H27120.2°120.0°
CAJCAWCAQH2628.7°30.0°
CAJCAWCAQH27148.8°150.0°
CAJCAWCAIH28179.9°180.0°
CAWCAJCAHH31180.0°180.0°
CAWCAQH26H27120.2°119.9°
CAQCAWCAIH280.7°0.3°
CAQCAWCAJH320.8°0.0°
CAXCADCAECBF30.1°73.2°
CADCAXCAKH140.1°0.0°
CADCAECBFCBB170.0°93.9°
CADCAECBFOAC69.1°145.9°
CADCAECBFCAT50.8°25.6°
CAECBFCBBCAM60.4°61.0°
CAECBFCBBOAC121.6°120.3°
CAECBFCBBCAT119.0°120.0°
CAECBFCBBCAN179.4°178.9°
CAECBFOACCAT119.1°120.4°
CAECBFCATNBD122.1°119.8°
CAECBFCBBH560.2°59.7°
CAECBFCATH11117.8°0.1°
CAECBFCATH122.1°120.2°
CAECBFOACH13180.0°59.7°
CBBCAMCAOH3119.8°119.8°
CBBCAMCAOH4119.8°119.8°
CAMCBBCBFCAN118.9°117.9°
CAMCBBCBFH5120.6°120.7°
CAMCBBCANH5120.0°121.0°
CAMCBBCBFOAC177.9°178.8°
CAMCBBCBFCAT58.5°59.0°
CBBCAMCAONBD1.0°0.0°
CAMCBBCANCAP62.6°59.0°
CBBCAMCAOH1121.1°120.0°
CBBCAMCAOH2119.1°120.0°
CBBCAMH3H4120.6°120.3°
CAMCBBCANH657.1°60.8°
CAMCBBCANH7177.6°178.8°
CAOCAMCBBCBF59.7°59.0°
CAOCAMCBBCAN59.7°59.0°
CAMCAONBDH1120.1°120.0°
CAMCAONBDH2120.1°120.0°
CAMCAONBDCAT60.3°62.0°
CAMCAONBDCAP60.8°62.0°
CAMCAOH1H2119.6°120.1°
CAOCAMH3H4120.6°120.3°
CAOCAMCBBH5179.7°179.6°
CBFCBBCANH5120.4°121.0°
CBBCBFOACCAT119.0°119.4°
CBBCBFCATNBD1.6°0.0°
CBFCBBCANCAP56.9°59.0°
CBFCBBCAMH360.1°178.8°
CBFCBBCAMH4179.6°60.8°
CBFCBBCANH6176.7°178.7°
CBFCBBCANH762.9°60.9°
CBBCBFCATH11121.7°120.0°
CBBCBFCATH12118.4°119.9°
CBBCBFOACH1358.1°179.9°
CANCBBCBFOAC59.0°60.8°
CANCBBCBFCAT60.4°58.9°
CBBCANCAPH6119.8°119.8°
CBBCANCAPH7119.8°119.8°
CBBCANCAPNBD3.8°0.0°
CANCBBCAMH3179.5°60.9°
CANCBBCAMH460.1°178.8°
CBBCANH6H7120.7°120.3°
CBBCANCAPH8124.0°120.1°
CBBCANCAPH9116.3°120.0°
OACCBFCATNBD117.5°119.9°
OACCBFCBBH561.5°60.5°
OACCBFCATH112.6°120.2°
OACCBFCATH12122.4°0.1°
CBFCATNBDCAO61.7°62.0°
CBFCATNBDH11120.0°120.0°
CBFCATNBDH12120.0°120.0°
CBFCATNBDCAP60.1°62.1°
CATCBFCBBH5179.2°179.7°
CBFCATH11H12119.8°120.2°
CATCBFOACH1360.9°60.7°
CAONBDCATCAP121.8°124.1°
CAONBDCAPCAN57.9°62.0°
NBDCAOH1H2119.7°120.0°
NBDCAOCAMH3118.8°119.8°
NBDCAOCAMH4120.8°119.8°
CAONBDCAPH862.3°58.0°
CAONBDCAPH9178.0°178.1°
CAONBDCATH11178.3°58.0°
CAONBDCATH1258.4°178.0°
CATNBDCAPCAN63.8°62.1°
CATNBDCAOH159.8°57.9°
CATNBDCAOH2179.5°178.0°
CATNBDCAPH8176.0°177.9°
CATNBDCAPH956.4°57.9°
NBDCATH11H12119.9°120.0°
CANCAPNBDH8120.2°120.0°
CANCAPNBDH9120.2°119.9°
CAPCANCBBH5177.3°180.0°
CAPCANH6H7120.7°120.4°
CANCAPH8H9119.5°120.0°
CAPNBDCAOH1179.1°178.0°
CAPNBDCAOH259.3°58.0°
NBDCAPCANH6115.9°119.7°
NBDCAPCANH7123.6°119.8°
NBDCAPH8H9119.5°120.1°
CAPNBDCATH1159.9°177.9°
CAPNBDCATH12179.9°57.9°
H1CAOCAMH31.3°120.2°
H1CAOCAMH4119.0°0.2°
H2CAOCAMH3121.1°0.2°
H2CAOCAMH40.7°120.2°
H3CAMCBBH560.5°60.5°
H4CAMCBBH559.9°59.8°
H5CBBCANH662.9°60.2°
H5CBBCANH757.6°60.1°
H6CANCAPH84.2°0.3°
H6CANCAPH9123.9°120.3°
H7CANCAPH8116.2°120.1°
H7CANCAPH93.4°0.1°
H14CAKCALH151.0°0.0°
H16CASCBCH2253.2°144.5°
H17CASCBCH22177.0°23.3°
H18CARCBAH2088.1°36.4°
H19CARCBAH2034.1°86.0°
H20CBAOABH2154.2°62.3°
H20CBACBCH2255.3°35.3°
H23CAAH24H25120.0°119.9°
H28CAICAGH290.1°0.0°
H29CAGCAFH300.0°0.1°
H30CAFCAHH310.0°0.1°
H31CAHCAJH320.0°0.3°

246704

PDB entries from 2025-12-24

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