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0OS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAKCAJdoub1.38Å1.39ÅAromatic
CAKCBJsing1.39Å1.39ÅAromatic
CAJCALsing1.38Å1.40ÅAromatic
CL2CBGsing1.74Å1.72Å
CAOCBGdoub1.38Å1.39ÅAromatic
CAOCBHsing1.38Å1.39ÅAromatic
CBJCAPdoub1.39Å1.40ÅAromatic
CALCBKdoub1.38Å1.39ÅAromatic
CL1CBHsing1.74Å1.72Å
CBGCARsing1.38Å1.39ÅAromatic
CBHCASdoub1.38Å1.39ÅAromatic
CAPCBKsing1.38Å1.40ÅAromatic
CBKCBOsing1.51Å1.56Å
CARCBNdoub1.38Å1.38ÅAromatic
CASCBNsing1.38Å1.38ÅAromatic
CAVCBIsing1.51Å1.54Å
CAVCAYsing1.53Å1.54Å
CAQCBIdoub1.38Å1.39ÅAromatic
CAQCBMsing1.39Å1.40ÅAromatic
CBOCAYsing1.53Å1.53Å
CBOOBDsing1.45Å1.41Å
CBICAMsing1.38Å1.39ÅAromatic
CBMCBLdoub1.39Å1.40ÅAromatic
OBDCsing1.34Å1.35Å
CAMCANdoub1.38Å1.39ÅAromatic
CBLCANsing1.39Å1.39ÅAromatic
S1OAEdoub1.42Å1.42Å
S1Nsing1.66Å1.60Å
S1OAFdoub1.42Å1.42Å
COdoub1.21Å1.22Å
CCAsing1.51Å1.51Å
NCAZsing1.47Å1.48Å
NCAsing1.47Å1.50Å
CAZCAUsing1.53Å1.51Å
CACBsing1.53Å1.50Å
CAUCATsing1.53Å1.51Å
CBCATsing1.53Å1.53Å
S1CBNsing1.76Å1.75Å
CAQH2sing1.08Å1.08Å
CAMH5sing1.08Å1.08Å
CAVH6sing1.09Å1.10Å
CAVH7sing1.09Å1.10Å
CAYH8sing1.09Å1.10Å
CAYH9sing1.09Å1.10Å
CBOH10sing1.09Å1.10Å
CAPH11sing1.08Å1.08Å
CALH12sing1.08Å1.08Å
CAJH13sing1.08Å1.08Å
CAKH14sing1.08Å1.08Å
CAH16sing1.09Å1.10Å
CBH17sing1.09Å1.10Å
CBH18sing1.09Å1.10Å
CATH19sing1.09Å1.10Å
CATH20sing1.09Å1.10Å
CAUH21sing1.09Å1.10Å
CAUH22sing1.09Å1.10Å
CAZH23sing1.09Å1.10Å
CAZH24sing1.09Å1.10Å
CARH27sing1.08Å1.08Å
CAOH28sing1.08Å1.08Å
CASH29sing1.08Å1.08Å
CBJO1sing1.36Å29.23Å
O1C2sing1.43Å0.00Å
C2H26sing1.09Å0.00Å
C2H30sing1.09Å0.00Å
C2C3sing1.51Å0.00Å
C3O2sing1.34Å0.00Å
O2H33sing0.97Å0.00Å
C3O3doub1.21Å0.00Å
CBLO4sing1.36Å31.74Å
O4C4sing1.43Å0.00Å
C4H3sing1.09Å0.00Å
C4H4sing1.09Å0.00Å
C4H15sing1.09Å0.00Å
CBMO5sing1.36Å31.82Å
O5C5sing1.43Å0.00Å
CANH1sing1.08Å1.08Å
C5H25sing1.09Å0.00Å
C5H31sing1.09Å0.00Å
C5H32sing1.09Å0.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAJCAKCBJ119.2°120.0°
CAKCAJCAL120.6°120.0°
CAKCAJH13119.7°120.0°
CAJCAKH14120.4°120.0°
CAKCBJCAP119.9°119.9°
CBJCAKH14120.4°120.0°
CAKCBJO1121.0°120.1°
CAJCALCBK120.8°120.1°
CAJCALH12119.6°119.9°
CALCAJH13119.7°120.0°
CL2CBGCAO121.5°120.0°
CL2CBGCAR118.6°120.0°
CBGCAOCBH119.0°119.9°
CAOCBGCAR119.8°120.1°
CBGCAOH28120.5°120.1°
CAOCBHCL1119.8°120.0°
CAOCBHCAS120.9°120.0°
CBHCAOH28120.5°120.0°
CBJCAPCBK121.1°120.0°
CBJCAPH11119.4°120.0°
CAPCBJO159.6°120.0°
CALCBKCAP118.4°120.0°
CALCBKCBO119.8°120.0°
CBKCALH12119.6°120.0°
CL1CBHCAS119.4°120.0°
CBGCARCBN120.6°120.0°
CBGCARH27119.7°120.1°
CBHCASCBN119.6°120.0°
CBHCASH29120.2°120.0°
CAPCBKCBO121.7°120.0°
CBKCAPH11119.4°120.0°
CBKCBOCAY110.7°109.5°
CBKCBOOBD104.1°109.5°
CBKCBOH10109.8°109.5°
CARCBNCAS120.0°120.0°
CARCBNS1120.0°120.0°
CBNCARH27119.7°120.0°
CASCBNS1119.8°120.0°
CBNCASH29120.2°120.0°
CBICAVCAY112.0°109.5°
CAVCBICAQ121.1°120.0°
CAVCBICAM119.6°119.9°
CBICAVH6108.8°109.5°
CBICAVH7108.8°109.5°
CAVCAYCBO112.3°109.5°
CAYCAVH6108.8°109.4°
CAYCAVH7108.8°109.5°
CAVCAYH8108.7°109.4°
CAVCAYH9108.7°109.5°
CBICAQCBM119.8°120.0°
CAQCBICAM119.3°120.1°
CBICAQH2120.1°119.9°
CAQCBMCBL120.5°119.9°
CBMCAQH2120.1°120.0°
CAQCBMO563.9°120.1°
CAYCBOOBD110.1°109.4°
CBOCAYH8108.8°109.5°
CBOCAYH9108.8°109.5°
CAYCBOH10110.1°109.5°
CBOOBDC128.0°117.0°
OBDCBOH10111.9°109.5°
CBICAMCAN121.1°120.1°
CBICAMH5119.5°119.9°
CBMCBLCAN119.7°119.8°
CBMCBLO491.7°120.1°
CBLCBMO585.7°120.1°
OBDCO122.8°120.1°
OBDCCA115.1°120.0°
CAMCANCBL119.6°120.0°
CANCAMH5119.5°120.0°
CAMCANH1120.2°119.9°
CANCBLO460.4°120.1°
CBLCANH1120.2°120.0°
OAES1N109.8°106.4°
OAES1OAF122.6°123.2°
OAES1CBN103.1°106.4°
NS1OAF111.4°106.4°
S1NCAZ115.2°120.6°
S1NCA117.0°120.6°
NS1CBN104.4°107.2°
OAFS1CBN103.4°106.4°
OCCA122.0°120.0°
CCAN105.9°109.6°
CCACB110.1°109.5°
CCAH16108.9°109.6°
CAZNCA119.3°118.7°
NCAZCAU116.4°108.8°
NCAZH23107.7°109.6°
NCAZH24107.7°109.7°
NCACB113.5°108.8°
NCAH16109.1°109.7°
CAZCAUCAT112.3°109.3°
CAZCAUH21108.8°109.5°
CAZCAUH22108.8°109.5°
CAUCAZH23107.7°109.6°
CAUCAZH24107.7°109.6°
CACBCAT110.7°109.3°
CBCAH16109.1°109.6°
CACBH17109.2°109.5°
CACBH18109.2°109.5°
CAUCATCB112.5°109.5°
CAUCATH19108.7°109.5°
CAUCATH20108.7°109.4°
CATCAUH21108.8°109.4°
CATCAUH22108.8°109.5°
CATCBH17109.1°109.5°
CATCBH18109.2°109.5°
CBCATH19108.7°109.5°
CBCATH20108.7°109.4°
H6CAVH7109.5°109.4°
H8CAYH9109.5°109.5°
H17CBH18109.5°109.6°
H19CATH20109.5°109.5°
H21CAUH22109.4°109.5°
H23CAZH24109.5°109.6°
CBJO1C290.0°117.0°
O1C2H2690.0°109.5°
O1C2H3090.0°109.5°
O1C2C390.0°109.5°
H26C2H3090.0°109.5°
H26C2C390.0°109.4°
H30C2C390.0°109.5°
C2C3O290.0°120.0°
C2C3O390.0°120.0°
C3O2H3390.0°117.0°
O2C3O390.0°120.0°
CBLO4C490.0°117.0°
O4C4H390.0°109.5°
O4C4H490.0°109.5°
O4C4H1590.0°109.4°
H3C4H490.0°109.5°
H3C4H1590.0°109.5°
H4C4H1590.0°109.4°
CBMO5C590.0°117.0°
O5C5H2590.0°109.4°
O5C5H3190.0°109.5°
O5C5H3290.0°109.5°
H25C5H3190.0°109.4°
H25C5H3290.0°109.5°
H31C5H3290.0°109.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAJCAKCBJH14180.0°179.7°
CAKCAJCALH13180.0°180.0°
CAJCAKCBJCAP0.3°0.3°
CAKCAJCALCBK0.6°0.0°
CAKCAJCALH12179.4°180.0°
CAJCAKCBJO170.8°180.0°
CBJCAKCAJCAL0.4°0.3°
CAKCBJCAPO1110.6°179.7°
CAKCBJCAPCBK0.5°0.0°
CAKCBJCAPH11179.4°180.0°
CBJCAKCAJH13179.6°179.7°
CAKCBJO1C290.0°0.0°
CAJCALCBKH12180.0°180.0°
CAJCALCBKCAP0.8°0.3°
CAJCALCBKCBO179.8°180.0°
CALCAJCAKH14179.6°180.0°
CL2CBGCAOCAR179.5°180.0°
CL2CBGCAOCBH178.7°180.0°
CL2CBGCARCBN179.5°180.0°
CL2CBGCARH270.5°0.1°
CL2CBGCAOH281.3°0.0°
CBGCAOCBHH28180.0°180.0°
CBGCAOCBHCL1179.6°180.0°
CBGCAOCBHCAS0.5°0.3°
CAOCBGCARCBN1.0°0.1°
CAOCBGCARH27179.0°180.0°
CAOCBHCL1CAS179.9°179.7°
CBHCAOCBGCAR0.8°0.0°
CAOCBHCASCBN1.4°0.6°
CAOCBHCASH29178.5°180.0°
CBJCAPCBKCAL0.7°0.3°
CBJCAPCBKH11180.0°180.0°
CBJCAPCBKCBO179.8°180.0°
CAPCBJCAKH14179.7°180.0°
CAPCBJO1C290.0°179.7°
CALCBKCAPCBO179.0°179.7°
CALCBKCBOCAY125.9°84.7°
CALCBKCBOOBD115.9°35.3°
CALCBKCBOH104.1°155.3°
CALCBKCAPH11179.2°179.7°
CBKCALCAJH13179.4°180.0°
CL1CBHCASCBN178.4°179.7°
CL1CBHCAOH280.4°0.0°
CL1CBHCASH291.6°0.3°
CBGCARCBNH27180.0°179.9°
CBGCARCBNCAS3.0°0.4°
CBGCARCBNS1178.0°180.0°
CARCBGCAOH28179.2°180.0°
CBHCASCBNCAR3.2°0.6°
CBHCASCBNH29180.0°179.4°
CBHCASCBNS1178.2°179.7°
CASCBHCAOH28179.5°179.7°
CAPCBKCBOCAY55.1°95.0°
CAPCBKCBOOBD63.2°145.0°
CAPCBKCBOH10176.9°25.0°
CAPCBKCALH12179.2°179.7°
CBKCAPCBJO1111.1°179.7°
CBKCBOCAYCAV67.7°175.3°
CBKCBOCAYOBD114.5°120.0°
CBKCBOCAYH10121.6°120.0°
CBKCBOOBDH10118.5°120.0°
CBKCBOOBDC161.1°87.0°
CBKCBOCAYH852.7°55.4°
CBKCBOCAYH9171.9°64.6°
CBOCBKCAPH110.2°0.0°
CBOCBKCALH120.2°0.0°
CARCBNCASS1175.0°179.7°
CARCBNS1OAE38.1°23.5°
CARCBNS1N76.6°90.0°
CARCBNS1OAF166.8°156.4°
CARCBNCASH29176.8°180.0°
CASCBNS1OAE136.9°156.2°
CASCBNS1N108.3°90.3°
CASCBNS1OAF8.3°23.2°
CASCBNCARH27177.0°179.7°
CBICAVCAYH6120.4°120.0°
CBICAVCAYH7120.4°120.1°
CAVCBICAQCAM179.9°179.5°
CAVCBICAQCBM179.9°180.0°
CBICAVCAYCBO179.5°176.7°
CAVCBICAMCAN179.8°179.7°
CAVCBICAQH20.1°0.0°
CAVCBICAMH50.2°0.3°
CBICAVH6H7118.8°120.0°
CBICAVCAYH859.0°63.4°
CBICAVCAYH960.1°56.6°
CAYCAVCBICAQ98.2°90.1°
CAVCAYCBOH8120.4°119.9°
CAVCAYCBOH9120.4°120.1°
CAVCAYCBOOBD177.8°64.7°
CAYCAVCBICAM81.7°90.5°
CAYCAVH6H7118.8°120.0°
CAVCAYH8H9118.7°120.0°
CAVCAYCBOH1053.8°55.3°
CBICAQCBMH2180.0°180.0°
CBICAQCBMCBL0.2°0.0°
CAQCBICAMCAN0.4°0.8°
CAQCBICAMH5179.7°179.7°
CAQCBICAVH6141.4°150.0°
CAQCBICAVH722.2°30.0°
CBICAQCBMO567.7°179.7°
CBMCAQCBICAM0.3°0.6°
CAQCBMCBLO556.3°179.7°
CAQCBMCBLCAN0.3°0.3°
CAQCBMCBLO456.3°179.7°
CAQCBMO5C590.0°0.3°
CAYCBOOBDH10122.8°120.0°
CAYCBOOBDC80.3°153.1°
CBOCAYCAVH660.1°56.7°
CBOCAYCAVH759.1°63.2°
CBOCAYH8H9118.7°120.1°
CBOOBDCO8.5°2.6°
CBOOBDCCA171.6°177.4°
OBDCBOCAYH861.8°175.4°
OBDCBOCAYH957.3°55.4°
CBICAMCANH5180.0°179.5°
CBICAMCANCBL0.4°0.5°
CAMCBICAQH2179.7°179.5°
CAMCBICAVH638.7°29.5°
CAMCBICAVH7157.9°149.5°
CBICAMCANH1179.6°179.4°
CBMCBLCANCAM0.4°0.0°
CBMCBLCANO473.6°180.0°
CBLCBMCAQH2179.8°180.0°
CBMCBLO4C490.0°180.0°
CBLCBMO5C590.0°180.0°
CBMCBLCANH1179.6°180.0°
OBDCOCA179.9°180.0°
OBDCCAN4.8°112.4°
OBDCCACB127.9°128.3°
COBDCBOH1042.5°33.0°
OBDCCAH16112.5°8.0°
CAMCANCBLH1180.0°179.9°
CAMCANCBLO473.2°180.0°
CBLCANCAMH5179.6°180.0°
CANCBLO4C490.0°0.0°
CANCBLCBMO556.6°180.0°
OAES1NOAF139.1°133.0°
OAES1NCBN109.9°113.5°
OAES1OAFCBN115.3°123.0°
OAES1NCAZ163.1°31.9°
OAES1NCA15.3°148.0°
NS1OAFCBN111.6°114.1°
S1NCAC129.2°6.6°
S1NCAZCA147.0°179.9°
S1NCAZCAU116.2°126.4°
S1NCACB109.9°126.4°
S1NCAH1612.1°113.7°
S1NCAZH234.7°6.7°
S1NCAZH24122.7°113.7°
OAFS1NCAZ24.0°164.9°
OAFS1NCA123.8°15.0°
OCCAN175.3°67.6°
OCCACB52.2°51.7°
OCCAH1667.4°172.0°
CCANCAZ84.4°173.4°
CCANCB120.9°119.7°
CCANH16117.1°120.3°
CCACBH16119.5°120.2°
CCACBCAT69.4°174.4°
CCACBH1750.7°54.5°
CCACBH18170.4°65.7°
NCAZCAUH23121.0°119.7°
NCAZCAUH24121.0°120.0°
CAZNCACB36.6°53.7°
NCAZCAUCAT38.0°54.6°
CAZNS1CBN87.0°81.6°
CAZNCAH16158.5°66.2°
NCAZCAUH2182.4°65.2°
NCAZCAUH22158.4°174.6°
NCAZH23H24116.8°120.5°
CANCAZCAU30.8°53.7°
NCACBH16122.0°120.0°
NCACBCAT49.1°54.7°
CANS1CBN125.2°98.5°
NCACBH17169.3°65.3°
NCACBH1871.1°174.6°
CANCAZH23151.8°173.4°
CANCAZH2490.2°66.2°
CAZCAUCATH21120.4°119.9°
CAZCAUCATH22120.4°120.0°
CAZCAUCATCB52.5°61.3°
CAZCAUCATH19173.0°178.6°
CAZCAUCATH2067.9°58.6°
CAZCAUH21H22118.7°120.2°
CAUCAZH23H24116.8°120.3°
CACBCATCAU58.8°61.3°
CACBCATH17120.2°119.9°
CACBCATH18120.2°119.9°
CACBH17H18119.5°120.2°
CACBCATH19179.2°178.6°
CACBCATH2061.7°58.6°
CAUCATCBH19120.4°120.1°
CAUCATCBH20120.5°119.9°
CAUCATCBH17179.0°58.6°
CAUCATCBH1861.4°178.7°
CAUCATH19H20118.6°120.0°
CATCAUH21H22118.7°120.0°
CATCAUCAZH23159.0°174.4°
CATCAUCAZH2483.0°65.3°
CATCBCAH16171.0°65.3°
CATCBH17H18119.4°120.0°
CBCATH19H20118.6°119.9°
CBCATCAUH2167.9°58.6°
CBCATCAUH22173.0°178.7°
S1CBNCARH272.0°0.1°
S1CBNCASH291.8°0.3°
H2CAQCBMO5112.3°0.3°
H5CAMCANH10.4°0.0°
H6CAVCAYH8179.4°176.7°
H6CAVCAYH960.3°63.3°
H7CAVCAYH861.4°56.7°
H7CAVCAYH9179.5°176.7°
H8CAYCBOH10174.3°64.6°
H9CAYCBOH1066.6°175.4°
H11CAPCBJO168.8°0.3°
H12CALCAJH130.6°0.1°
H13CAJCAKH140.3°0.0°
H14CAKCBJO1109.2°0.3°
H16CACBH1768.8°174.8°
H16CACBH1850.9°54.6°
H17CBCATH1960.6°61.5°
H17CBCATH2058.5°178.5°
H18CBCATH1959.0°58.6°
H18CBCATH20178.1°61.3°
H19CATCAUH2152.5°61.5°
H19CATCAUH2266.6°58.6°
H20CATCAUH21171.7°178.5°
H20CATCAUH2252.5°61.4°
H21CAUCAZH2338.5°54.5°
H21CAUCAZH24156.5°174.8°
H22CAUCAZH2380.6°65.6°
H22CAUCAZH2437.4°54.6°
CBJO1C2H2690.0°60.0°
CBJO1C2H3090.0°60.0°
CBJO1C2C390.0°180.0°
O1C2H26H3090.0°120.0°
O1C2H26C390.0°119.9°
O1C2H30C390.0°120.0°
O1C2C3O290.0°180.0°
O1C2C3O390.0°0.1°
H26C2H30C390.0°120.0°
H26C2C3O290.0°60.1°
H26C2C3O390.0°120.0°
H30C2C3O290.0°59.9°
H30C2C3O390.0°119.9°
C2C3O2O390.0°179.9°
C2C3O2H3390.0°180.0°
H33O2C3O390.0°0.1°
CBLO4C4H390.0°60.0°
CBLO4C4H490.0°60.0°
CBLO4C4H1590.0°180.0°
O4CBLCBMO50.0°0.0°
O4CBLCANH1106.8°0.0°
O4C4H3H490.0°120.1°
O4C4H3H1590.0°120.0°
O4C4H4H1590.0°120.0°
H3C4H4H1590.0°120.0°
CBMO5C5H2590.0°60.0°
CBMO5C5H3190.0°59.9°
CBMO5C5H3290.0°180.0°
O5C5H25H3190.0°120.0°
O5C5H25H3290.0°120.0°
O5C5H31H3290.0°120.1°
H25C5H31H3290.0°120.0°

223532

PDB entries from 2024-08-07

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