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2RS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CANOAXsing1.43Å1.43Å
CANCAQsing1.53Å1.55Å
OAXCAOsing1.43Å1.43Å
CAQNBIsing1.47Å1.48Å
CAOCARsing1.53Å1.55Å
NBICARsing1.47Å1.49Å
NBICAPsing1.47Å1.48Å
CAPCALsing1.53Å1.55Å
CALCAMsing1.53Å1.54Å
CAMOAYsing1.43Å1.43Å
OAYCBGsing1.35Å1.39Å
CBGNATdoub1.33Å1.37ÅAromatic
CBGNAUsing1.33Å1.34ÅAromatic
NATCBEsing1.33Å1.36ÅAromatic
NAUCBFdoub1.33Å1.34ÅAromatic
CBENAVsing1.38Å1.41Å
CBENASdoub1.33Å1.34ÅAromatic
NAVCBDsing1.39Å1.41Å
CBFNASsing1.33Å1.34ÅAromatic
CBFNAWsing1.38Å1.39Å
CAHCBDdoub1.39Å1.43ÅAromatic
CAHCAFsing1.38Å1.41ÅAromatic
CBDCAIsing1.39Å1.42ÅAromatic
NAWCBHsing1.40Å1.41Å
CAFCBAdoub1.40Å1.41ÅAromatic
CAICAGdoub1.38Å1.41ÅAromatic
CACCBCsing1.51Å1.52Å
CBACAGsing1.40Å1.41ÅAromatic
CBACAEsing1.43Å1.45Å
CBHCBCdoub1.39Å1.43ÅAromatic
CBHCBBsing1.39Å1.44ÅAromatic
CABCBBsing1.51Å1.53Å
CBCCAKsing1.38Å1.41ÅAromatic
CAENADtrip1.14Å1.16Å
CBBCAJdoub1.38Å1.42ÅAromatic
CAKCAZdoub1.38Å1.40ÅAromatic
CAJCAZsing1.38Å1.41ÅAromatic
CAZCAAsing1.51Å1.52Å
CAQH1sing1.09Å1.10Å
CAQH2sing1.09Å1.10Å
CANH3sing1.09Å1.10Å
CANH4sing1.09Å1.10Å
CAOH5sing1.09Å1.10Å
CAOH6sing1.09Å1.10Å
CARH7sing1.09Å1.10Å
CARH8sing1.09Å1.10Å
CAPH10sing1.09Å1.10Å
CAPH11sing1.09Å1.10Å
CALH12sing1.09Å1.10Å
CALH13sing1.09Å1.10Å
CAMH14sing1.09Å1.10Å
CAMH15sing1.09Å1.10Å
NAVH16sing0.97Å1.00Å
CAHH17sing1.08Å1.08Å
CAFH18sing1.08Å1.08Å
CAGH19sing1.08Å1.08Å
CAIH20sing1.08Å1.08Å
NAWH21sing0.97Å1.00Å
CABH22sing1.09Å1.10Å
CABH23sing1.09Å1.10Å
CABH24sing1.09Å1.10Å
CAJH25sing1.08Å1.08Å
CAAH26sing1.09Å1.10Å
CAAH27sing1.09Å1.10Å
CAAH28sing1.09Å1.10Å
CAKH29sing1.08Å1.08Å
CACH30sing1.09Å1.10Å
CACH31sing1.09Å1.10Å
CACH32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAXCANCAQ109.8°109.3°
CANOAXCAO110.2°113.8°
OAXCANH3109.4°109.5°
OAXCANH4109.4°109.5°
CANCAQNBI112.8°109.3°
CANCAQH1108.6°109.5°
CANCAQH2108.7°109.5°
CAQCANH3109.4°109.5°
CAQCANH4109.4°109.5°
OAXCAOCAR110.3°109.3°
OAXCAOH5109.3°109.5°
OAXCAOH6109.3°109.5°
CAQNBICAR116.7°110.7°
CAQNBICAP116.9°111.0°
NBICAQH1108.6°109.5°
NBICAQH2108.6°109.5°
CAOCARNBI113.4°109.2°
CARCAOH5109.3°109.4°
CARCAOH6109.3°109.5°
CAOCARH7108.5°109.5°
CAOCARH8108.5°109.5°
CARNBICAP114.9°111.0°
NBICARH7108.5°109.5°
NBICARH8108.5°109.5°
NBICAPCAL117.8°109.4°
NBICAPH10107.3°109.4°
NBICAPH11107.4°109.5°
CAPCALCAM115.7°109.5°
CALCAPH10107.3°109.4°
CALCAPH11107.4°109.5°
CAPCALH12107.9°109.4°
CAPCALH13107.9°109.5°
CALCAMOAY112.4°109.5°
CAMCALH12107.9°109.5°
CAMCALH13107.9°109.4°
CALCAMH14108.7°109.4°
CALCAMH15108.8°109.4°
CAMOAYCBG119.1°117.0°
OAYCAMH14108.7°109.5°
OAYCAMH15108.7°109.5°
OAYCBGNAT123.9°120.0°
OAYCBGNAU113.1°120.0°
NATCBGNAU123.0°120.0°
CBGNATCBE117.3°120.1°
CBGNAUCBF117.0°120.0°
NATCBENAV118.2°120.0°
NATCBENAS120.8°120.0°
NAUCBFNAS122.3°120.0°
NAUCBFNAW116.2°120.0°
NAVCBENAS121.0°120.0°
CBENAVCBD122.4°120.0°
CBENAVH16118.8°120.1°
CBENASCBF119.6°119.9°
NAVCBDCAH127.6°119.9°
NAVCBDCAI114.8°119.9°
CBDNAVH16118.8°120.0°
NASCBFNAW121.5°120.0°
CBFNAWCBH127.4°120.0°
CBFNAWH21116.3°120.0°
CBDCAHCAF120.6°120.1°
CAHCBDCAI117.5°120.1°
CBDCAHH17119.7°120.0°
CAHCAFCBA120.2°119.9°
CAFCAHH17119.7°119.9°
CAHCAFH18119.9°120.1°
CBDCAICAG122.0°120.1°
CBDCAIH20119.0°119.9°
NAWCBHCBC119.0°120.0°
NAWCBHCBB122.3°120.1°
CBHNAWH21116.3°120.0°
CAFCBACAG120.1°119.8°
CAFCBACAE121.8°120.1°
CBACAFH18119.9°120.1°
CAICAGCBA119.6°120.0°
CAICAGH19120.2°120.0°
CAGCAIH20119.0°120.0°
CACCBCCBH122.5°120.1°
CACCBCCAK117.2°120.0°
CBCCACH30109.5°109.5°
CBCCACH31109.4°109.5°
CBCCACH32109.5°109.5°
CAGCBACAE118.1°120.1°
CBACAGH19120.2°120.0°
CBACAENAD179.8°180.0°
CBCCBHCBB118.6°119.9°
CBHCBCCAK120.3°119.9°
CBHCBBCAB123.8°120.1°
CBHCBBCAJ119.7°119.9°
CABCBBCAJ116.5°120.1°
CBBCABH22109.5°109.5°
CBBCABH23109.5°109.5°
CBBCABH24109.5°109.5°
CBCCAKCAZ121.0°120.1°
CBCCAKH29119.5°120.0°
CBBCAJCAZ120.8°120.1°
CBBCAJH25119.6°119.9°
CAKCAZCAJ119.5°120.1°
CAKCAZCAA118.5°119.9°
CAZCAKH29119.5°119.9°
CAJCAZCAA122.0°120.0°
CAZCAJH25119.6°119.9°
CAZCAAH26109.5°109.5°
CAZCAAH27109.5°109.5°
CAZCAAH28109.5°109.5°
H1CAQH2109.5°109.5°
H3CANH4109.5°109.6°
H5CAOH6109.4°109.6°
H7CARH8109.4°109.5°
H10CAPH11109.5°109.5°
H12CALH13109.4°109.5°
H14CAMH15109.5°109.5°
H22CABH23109.5°109.5°
H22CABH24109.5°109.5°
H23CABH24109.5°109.5°
H26CAAH27109.4°109.5°
H26CAAH28109.5°109.4°
H27CAAH28109.5°109.5°
H30CACH31109.5°109.5°
H30CACH32109.5°109.4°
H31CACH32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAXCANCAQH3120.0°120.0°
OAXCANCAQH4120.0°119.9°
OAXCANCAQNBI18.0°56.8°
CANOAXCAOCAR63.3°58.7°
OAXCANCAQH1102.5°176.8°
OAXCANCAQH2138.5°63.1°
OAXCANH3H4119.8°120.1°
CANOAXCAOH556.9°178.5°
CANOAXCAOH6176.6°61.2°
CAQCANOAXCAO67.9°58.6°
CANCAQNBIH1120.5°120.0°
CANCAQNBIH2120.5°119.9°
CANCAQNBICAR32.8°58.6°
CANCAQNBICAP174.5°177.7°
CANCAQH1H2118.5°120.1°
CAQCANH3H4119.9°120.1°
OAXCAOCARH5120.1°119.9°
OAXCAOCARH6120.1°119.9°
OAXCAOCARNBI9.8°56.9°
CAOOAXCANH3172.0°178.6°
CAOOAXCANH452.2°61.2°
OAXCAOH5H6119.6°120.2°
OAXCAOCARH7130.4°63.1°
OAXCAOCARH8110.8°176.8°
CAQNBICARCAO37.2°58.6°
CAQNBICARCAP142.5°123.7°
CAQNBICAPCAL66.0°170.0°
NBICAQH1H2118.5°120.1°
NBICAQCANH3138.0°176.8°
NBICAQCANH4102.0°63.1°
CAQNBICARH783.4°61.3°
CAQNBICARH8157.8°178.6°
CAQNBICAPH10172.8°50.1°
CAQNBICAPH1155.2°70.0°
CAOCARNBIH7120.6°120.0°
CAOCARNBIH8120.6°120.0°
CAOCARNBICAP179.7°177.7°
CARCAOH5H6119.6°120.1°
CAOCARH7H8118.2°120.1°
CARNBICAPCAL76.4°66.4°
CARNBICAQH1153.3°178.6°
CARNBICAQH287.7°61.3°
NBICARCAOH5110.3°176.8°
NBICARCAOH6129.9°63.1°
NBICARH7H8118.2°120.1°
CARNBICAPH1044.8°173.6°
CARNBICAPH11162.4°53.6°
NBICAPCALH10121.2°119.9°
NBICAPCALH11121.2°120.1°
NBICAPCALCAM155.9°180.0°
CAPNBICAQH165.0°57.7°
CAPNBICAQH254.0°62.4°
CAPNBICARH759.1°62.4°
CAPNBICARH859.7°57.7°
NBICAPH10H11116.2°120.0°
NBICAPCALH1283.2°60.0°
NBICAPCALH1335.0°60.0°
CAPCALCAMH12120.9°120.0°
CAPCALCAMH13120.9°120.0°
CAPCALCAMOAY179.1°180.0°
CALCAPH10H11116.2°120.0°
CAPCALH12H13117.1°120.0°
CAPCALCAMH1458.7°60.0°
CAPCALCAMH1560.4°60.0°
CALCAMOAYH14120.4°120.0°
CALCAMOAYH15120.5°120.0°
CALCAMOAYCBG171.3°180.0°
CAMCALCAPH1034.7°60.0°
CAMCALCAPH1182.9°60.0°
CAMCALH12H13117.2°120.0°
CALCAMH14H15118.7°119.9°
CAMOAYCBGNAT42.2°0.0°
CAMOAYCBGNAU137.0°180.0°
OAYCAMCALH1260.0°60.0°
OAYCAMCALH1358.2°60.0°
OAYCAMH14H15118.6°120.0°
OAYCBGNATNAU179.2°180.0°
OAYCBGNATCBE178.7°180.0°
OAYCBGNAUCBF179.2°180.0°
CBGOAYCAMH1450.8°60.0°
CBGOAYCAMH1568.3°60.0°
NATCBGNAUCBF0.0°0.1°
CBGNATCBENAV178.7°180.0°
CBGNATCBENAS1.1°0.0°
NAUCBGNATCBE0.5°0.1°
CBGNAUCBFNAS0.2°0.0°
CBGNAUCBFNAW179.4°179.9°
NATCBENAVNAS177.7°180.0°
NATCBENAVCBD124.1°5.0°
NATCBENASCBF1.2°0.1°
NATCBENAVH1655.9°175.0°
NAUCBFNASCBE0.7°0.1°
NAUCBFNASNAW179.5°179.9°
NAUCBFNAWCBH169.2°5.4°
NAUCBFNAWH2110.7°174.6°
CBENAVCBDH16180.0°180.0°
NAVCBENASCBF178.8°179.9°
CBENAVCBDCAH107.1°34.9°
CBENAVCBDCAI69.5°145.4°
NASCBENAVCBD53.6°175.0°
CBENASCBFNAW178.8°180.0°
NASCBENAVH16126.4°5.0°
NAVCBDCAHCAI176.5°179.7°
NAVCBDCAHCAF177.6°180.0°
NAVCBDCAICAG178.1°179.8°
NAVCBDCAHH172.4°0.0°
NAVCBDCAIH201.9°0.0°
NASCBFNAWCBH10.3°174.5°
NASCBFNAWH21169.7°5.5°
CBFNAWCBHH21180.0°180.0°
CBFNAWCBHCBC95.7°61.2°
CBFNAWCBHCBB87.2°119.1°
CBDCAHCAFH17180.0°179.9°
CBDCAHCAFCBA0.5°0.0°
CAHCBDCAICAG1.2°0.5°
CAHCBDNAVH1672.9°145.1°
CBDCAHCAFH18179.5°180.0°
CAHCBDCAIH20178.8°179.7°
CAFCAHCBDCAI1.2°0.2°
CAHCAFCBAH18180.0°180.0°
CAHCAFCBACAG0.2°0.0°
CAHCAFCBACAE179.9°180.0°
CBDCAICAGH20180.0°179.8°
CBDCAICAGCBA0.6°0.5°
CAICBDNAVH16110.6°34.6°
CAICBDCAHH17178.8°179.7°
CBDCAICAGH19179.4°179.7°
NAWCBHCBCCAC1.6°0.0°
NAWCBHCBCCBB177.3°179.7°
NAWCBHCBBCAB2.4°0.0°
NAWCBHCBCCAK178.3°179.7°
NAWCBHCBBCAJ178.4°180.0°
CAFCBACAGCAI0.2°0.3°
CAFCBACAGCAE179.6°180.0°
CAFCBACAENAD71.4°75.7°
CBACAFCAHH17179.5°180.0°
CAFCBACAGH19179.8°179.9°
CAICAGCBAH19180.0°179.8°
CAICAGCBACAE179.8°179.7°
CACCBCCBHCAK179.9°179.7°
CACCBCCBHCBB178.9°179.7°
CACCBCCAKCAZ179.7°179.7°
CACCBCCAKH290.4°0.0°
CBCCACH30H31120.0°120.0°
CBCCACH30H32120.0°120.0°
CBCCACH31H32120.0°120.0°
CAGCBACAENAD108.3°104.3°
CAGCBACAFH18179.8°180.0°
CBACAGCAIH20179.4°179.7°
CAECBACAFH180.1°0.0°
CAECBACAGH190.2°0.1°
CBCCBHCBBCAB179.6°179.7°
CBCCBHCBBCAJ1.2°0.3°
CBHCBCCAKCAZ0.3°0.6°
CBCCBHNAWH2184.3°118.8°
CBHCBCCAKH29179.7°179.7°
CBHCBCCACH3090.0°96.5°
CBHCBCCACH31150.0°143.5°
CBHCBCCACH3230.0°23.4°
CBHCBBCABCAJ179.3°180.0°
CBBCBHCBCCAK1.0°0.6°
CBHCBBCAJCAZ0.7°0.0°
CBBCBHNAWH2192.8°60.9°
CBHCBBCABH2289.6°94.7°
CBHCBBCABH23150.4°145.3°
CBHCBBCABH2430.4°25.3°
CBHCBBCAJH25179.3°179.9°
CABCBBCAJCAZ180.0°180.0°
CBBCABH22H23120.0°120.0°
CBBCABH22H24120.0°120.0°
CBBCABH23H24120.0°120.0°
CABCBBCAJH250.0°0.0°
CBCCAKCAZH29180.0°179.7°
CBCCAKCAZCAJ0.3°0.3°
CBCCAKCAZCAA179.8°179.7°
CAKCBCCACH3090.0°83.2°
CAKCBCCACH3130.0°36.8°
CAKCBCCACH32150.0°156.8°
CBBCAJCAZCAK0.1°0.0°
CBBCAJCAZH25180.0°179.9°
CBBCAJCAZCAA180.0°180.0°
CAJCBBCABH2289.7°85.3°
CAJCBBCABH2330.3°34.7°
CAJCBBCABH24150.3°154.7°
CAKCAZCAJCAA179.9°180.0°
CAKCAZCAJH25179.9°180.0°
CAKCAZCAAH2689.9°90.0°
CAKCAZCAAH27150.1°30.0°
CAKCAZCAAH2830.1°150.0°
CAJCAZCAAH2689.9°90.0°
CAJCAZCAAH2730.0°150.0°
CAJCAZCAAH28150.0°30.0°
CAJCAZCAKH29179.7°180.0°
CAACAZCAJH250.0°0.1°
CAZCAAH26H27120.0°120.0°
CAZCAAH26H28120.0°120.0°
CAZCAAH27H28120.0°120.0°
CAACAZCAKH290.2°0.0°
H1CAQCANH317.5°63.3°
H1CAQCANH4137.5°56.9°
H2CAQCANH3101.5°56.9°
H2CAQCANH418.5°177.0°
H5CAOCARH710.3°56.9°
H5CAOCARH8129.1°63.2°
H6CAOCARH7109.5°177.0°
H6CAOCARH89.3°56.9°
H10CAPCALH12155.6°180.0°
H10CAPCALH1386.2°60.0°
H11CAPCALH1238.0°60.0°
H11CAPCALH13156.2°180.0°
H12CALCAMH14179.6°179.9°
H12CALCAMH1560.5°60.0°
H13CALCAMH1462.2°60.1°
H13CALCAMH15178.6°180.0°
H17CAHCAFH180.5°0.1°
H19CAGCAIH200.6°0.1°
H22CABH23H24120.0°120.0°
H26CAAH27H28120.0°120.0°
H30CACH31H32120.0°120.0°

221371

PDB entries from 2024-06-19

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