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3JS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NARCALdoub1.29Å1.34ÅAromatic
NARCAYsing1.31Å1.35ÅAromatic
CALSATsing1.71Å1.65ÅAromatic
CABCAYsing1.51Å1.54Å
CAYCBAdoub1.35Å1.34ÅAromatic
SATCBAsing1.76Å1.72ÅAromatic
CBACAZsing1.48Å1.35Å
CAZCAKdoub1.40Å1.41ÅAromatic
CAZCAJsing1.39Å1.39ÅAromatic
CAKCAIsing1.38Å1.40ÅAromatic
CAJCAHdoub1.38Å1.40ÅAromatic
CAICAXdoub1.38Å1.40ÅAromatic
CAHCAXsing1.38Å1.40ÅAromatic
CAXCAMsing1.51Å1.43Å
CAMNASsing1.46Å1.47Å
NASCsing1.35Å1.36Å
CBCAsing1.54Å1.53Å
CBCGsing1.55Å1.51Å
COdoub1.21Å1.23Å
CCAsing1.51Å1.41Å
CANsing1.47Å1.51Å
CGOD1sing1.43Å1.43Å
CGCD2sing1.55Å1.51Å
NCD2sing1.48Å1.49Å
NCAWsing1.35Å1.35Å
OAECAWdoub1.21Å1.22Å
CAWCBEsing1.51Å1.42Å
CAOCBEsing1.54Å1.52Å
CAOCBCsing1.55Å1.50Å
CBENBFsing1.47Å1.47Å
CBCOAGsing1.43Å1.44Å
CBCCAPsing1.55Å1.52Å
NBFCAPsing1.47Å1.48Å
NBFCAUsing1.35Å1.33Å
OACCAUdoub1.21Å1.23Å
CAUCAAsing1.51Å1.53Å
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CAPH4sing1.09Å1.10Å
CAPH5sing1.09Å1.10Å
CBCH6sing1.09Å1.10Å
OAGH7sing0.97Å0.95Å
CAOH8sing1.09Å1.10Å
CAOH9sing1.09Å1.10Å
CBEH10sing1.09Å1.10Å
CD2H11sing1.09Å1.10Å
CD2H12sing1.09Å1.10Å
CGH13sing1.09Å1.10Å
OD1H14sing0.97Å0.95Å
CBH15sing1.09Å1.10Å
CBH16sing1.09Å1.10Å
CAH17sing1.09Å1.10Å
NASH18sing0.97Å1.00Å
CAMH19sing1.09Å1.10Å
CAMH20sing1.09Å1.10Å
CAIH21sing1.08Å1.08Å
CAKH22sing1.08Å1.08Å
CAHH23sing1.08Å1.08Å
CAJH24sing1.08Å1.08Å
CALH25sing1.08Å1.08Å
CABH26sing1.09Å1.10Å
CABH27sing1.09Å1.10Å
CABH28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CALNARCAY115.5°117.3°
NARCALSAT108.2°110.4°
NARCALH25125.9°124.9°
NARCAYCAB120.1°122.9°
NARCAYCBA114.7°114.3°
CALSATCBA95.4°90.3°
SATCALH25125.9°124.8°
CABCAYCBA125.3°122.9°
CAYCABH26109.5°109.5°
CAYCABH27109.4°109.4°
CAYCABH28109.4°109.5°
CAYCBASAT106.3°107.7°
CAYCBACAZ127.2°126.1°
SATCBACAZ126.5°126.1°
CBACAZCAK122.8°120.1°
CBACAZCAJ118.8°120.2°
CAKCAZCAJ118.4°119.7°
CAZCAKCAI120.5°119.9°
CAZCAKH22119.8°120.1°
CAZCAJCAH121.0°119.9°
CAZCAJH24119.5°120.1°
CAKCAICAX121.3°120.1°
CAKCAIH21119.4°119.9°
CAICAKH22119.8°120.1°
CAJCAHCAX121.0°120.1°
CAJCAHH23119.5°120.0°
CAHCAJH24119.5°120.0°
CAICAXCAH117.8°120.3°
CAICAXCAM119.2°119.9°
CAXCAIH21119.3°120.0°
CAHCAXCAM123.0°119.8°
CAXCAHH23119.5°119.9°
CAXCAMNAS109.8°109.5°
CAXCAMH19109.4°109.4°
CAXCAMH20109.4°109.5°
CAMNASC121.0°120.0°
CAMNASH18119.5°119.9°
NASCAMH19109.4°109.5°
NASCAMH20109.4°109.5°
NASCO122.8°120.0°
NASCCA117.3°120.0°
CNASH18119.5°120.1°
CACBCG105.5°103.0°
CBCAC107.7°109.9°
CBCAN104.4°107.3°
CACBH15110.5°110.8°
CACBH16110.4°110.7°
CBCAH17110.7°109.9°
CBCGOD1109.6°111.0°
CBCGCD2104.2°101.6°
CBCGH13110.6°111.0°
CGCBH15110.4°111.0°
CGCBH16110.5°110.4°
OCCA119.8°120.0°
CCAN109.9°110.2°
CCAH17112.7°110.0°
CANCD2109.1°108.7°
CANCAW124.0°125.7°
NCAH17111.0°109.7°
OD1CGCD2109.8°111.0°
OD1CGH13111.8°110.9°
CGOD1H14109.5°114.0°
CGCD2N104.7°104.8°
CGCD2H11110.7°110.4°
CGCD2H12110.7°110.5°
CD2CGH13110.6°111.0°
CD2NCAW126.9°125.6°
NCD2H11110.7°110.3°
NCD2H12110.7°110.4°
NCAWOAE121.9°120.0°
NCAWCBE117.7°120.0°
OAECAWCBE120.3°120.0°
CAWCBECAO107.4°109.9°
CAWCBENBF113.1°110.1°
CAWCBEH10111.3°110.0°
CBECAOCBC105.2°103.0°
CAOCBENBF104.4°107.3°
CBECAOH8110.6°110.7°
CBECAOH9110.5°110.8°
CAOCBEH10109.9°109.9°
CAOCBCOAG108.7°111.0°
CAOCBCCAP104.9°101.6°
CAOCBCH6110.8°111.0°
CBCCAOH8110.5°110.9°
CBCCAOH9110.5°110.4°
CBENBFCAP111.3°108.7°
CBENBFCAU119.0°125.6°
NBFCBEH10110.5°109.7°
OAGCBCCAP109.8°111.0°
OAGCBCH6111.7°110.9°
CBCOAGH7109.5°114.0°
CBCCAPNBF104.0°104.9°
CBCCAPH4110.8°110.4°
CBCCAPH5110.8°110.5°
CAPCBCH6110.6°111.0°
CAPNBFCAU129.7°125.7°
NBFCAPH4110.8°110.4°
NBFCAPH5110.8°110.3°
NBFCAUOAC122.5°120.0°
NBFCAUCAA115.7°120.0°
OACCAUCAA121.8°120.0°
CAUCAAH1109.5°109.5°
CAUCAAH2109.5°109.5°
CAUCAAH3109.5°109.4°
H1CAAH2109.4°109.5°
H1CAAH3109.5°109.5°
H2CAAH3109.5°109.5°
H4CAPH5109.5°110.3°
H8CAOH9109.5°110.8°
H11CD2H12109.4°110.4°
H15CBH16109.5°110.8°
H19CAMH20109.5°109.5°
H26CABH27109.5°109.5°
H26CABH28109.5°109.5°
H27CABH28109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NARCALSATH25180.0°179.9°
CALNARCAYCAB180.0°180.0°
CALNARCAYCBA0.5°0.4°
NARCALSATCBA0.3°0.1°
CAYNARCALSAT0.0°0.2°
NARCAYCABCBA179.4°179.5°
NARCAYCBASAT0.7°0.4°
NARCAYCBACAZ179.5°179.8°
CAYNARCALH25179.9°179.7°
NARCAYCABH260.0°95.2°
NARCAYCABH27120.0°144.8°
NARCAYCABH28120.0°24.8°
CALSATCBACAY0.6°0.3°
CALSATCBACAZ179.4°180.0°
CABCAYCBASAT179.9°180.0°
CABCAYCBACAZ1.1°0.3°
CAYCABH26H27120.0°120.0°
CAYCABH26H28120.0°120.0°
CAYCABH27H28120.0°120.0°
CAYCBASATCAZ178.8°179.7°
CAYCBACAZCAK43.4°132.5°
CAYCBACAZCAJ137.1°47.8°
CBACAYCABH26179.4°85.3°
CBACAYCABH2759.4°34.7°
CBACAYCABH2860.6°154.7°
SATCBACAZCAK138.1°47.8°
SATCBACAZCAJ41.5°131.9°
CBASATCALH25179.7°180.0°
CBACAZCAKCAJ179.5°179.7°
CBACAZCAKCAI179.6°180.0°
CBACAZCAJCAH179.7°180.0°
CBACAZCAKH220.3°0.0°
CBACAZCAJH240.3°0.0°
CAZCAKCAIH22180.0°180.0°
CAKCAZCAJCAH0.7°0.3°
CAZCAKCAICAX0.4°0.0°
CAZCAKCAIH21179.6°180.0°
CAKCAZCAJH24179.3°179.7°
CAJCAZCAKCAI0.8°0.3°
CAZCAJCAHH24180.0°179.9°
CAZCAJCAHCAX0.2°0.0°
CAJCAZCAKH22179.2°179.7°
CAZCAJCAHH23179.8°180.0°
CAKCAICAXH21180.0°180.0°
CAKCAICAXCAH0.2°0.3°
CAKCAICAXCAM179.8°180.0°
CAJCAHCAXCAI0.2°0.3°
CAJCAHCAXH23180.0°180.0°
CAJCAHCAXCAM179.9°180.0°
CAICAXCAHCAM179.7°179.7°
CAICAXCAMNAS163.5°90.0°
CAICAXCAMH1976.4°30.0°
CAICAXCAMH2043.5°150.0°
CAXCAICAKH22179.6°180.0°
CAICAXCAHH23179.8°179.7°
CAHCAXCAMNAS16.1°90.3°
CAHCAXCAMH19103.9°149.7°
CAHCAXCAMH20136.2°29.7°
CAHCAXCAIH21179.9°179.7°
CAXCAHCAJH24179.8°180.0°
CAXCAMNASH19120.0°120.0°
CAXCAMNASH20120.1°120.0°
CAXCAMNASC90.6°180.0°
CAXCAMNASH1889.5°0.0°
CAXCAMH19H20119.9°120.0°
CAMCAXCAIH210.2°0.0°
CAMCAXCAHH230.1°0.0°
CAMNASCH18180.0°180.0°
CAMNASCO0.2°0.0°
CAMNASCCA177.9°180.0°
NASCAMH19H20119.9°120.0°
NASCCACB89.4°61.4°
NASCOCA178.0°180.0°
NASCCAN157.4°179.4°
NASCCAH1733.0°59.6°
CNASCAMH19149.4°60.0°
CNASCAMH2029.5°60.0°
CACBCGH15119.4°118.6°
CACBCGH16119.4°118.2°
CBCACO88.7°118.5°
CBCACN113.2°118.0°
CBCACH17122.4°121.0°
CBCANH17119.4°119.3°
CACBCGOD182.9°82.8°
CACBCGCD234.5°35.3°
CBCANCD22.0°1.4°
CBCANCAW178.1°178.8°
CACBCGH13153.4°153.4°
CACBH15H16121.8°123.2°
CGCBCAC139.3°141.6°
CGCBCAN22.5°21.8°
CBCGOD1CD2113.9°112.2°
CBCGOD1H13123.0°123.9°
CBCGCD2H13118.9°118.1°
CBCGCD2N32.9°37.0°
CBCGCD2H1186.4°155.8°
CBCGCD2H12152.1°81.9°
CBCGOD1H14180.0°173.7°
CGCBH15H16121.9°123.0°
CGCBCAH1797.1°97.3°
OCCAN24.5°0.5°
OCCAH17148.9°120.4°
OCNASH18179.8°179.9°
CCANH17125.3°121.2°
CCANCD2117.3°118.1°
CCANCAW62.8°61.6°
CCACBH1520.0°99.6°
CCACBH16101.3°23.6°
CACNASH182.2°0.0°
CANCD2CG19.1°24.4°
CANCD2CAW179.9°179.7°
CANCAWOAE0.4°0.3°
CANCAWCBE174.3°179.7°
CANCD2H11100.1°143.2°
CANCD2H12138.4°94.6°
NCACBH1596.9°140.6°
NCACBH16141.9°96.2°
OD1CGCD2H13123.8°123.9°
OD1CGCD2N84.4°81.0°
OD1CGCD2H11156.4°37.7°
OD1CGCD2H1234.9°160.1°
OD1CGCBH15157.8°35.8°
OD1CGCBH1636.5°159.0°
CGCD2NH11119.3°118.8°
CGCD2NH12119.3°118.9°
CGCD2NCAW160.8°155.9°
CGCD2H11H12122.2°122.4°
CD2CGOD1H1466.2°61.5°
CD2CGCBH1584.9°153.9°
CD2CGCBH16153.9°82.9°
CD2NCAWOAE179.5°179.9°
CD2NCAWCBE5.8°0.0°
NCD2H11H12122.2°122.3°
NCD2CGH13151.8°155.1°
CD2NCAH17117.4°120.7°
NCAWOAECBE174.5°180.0°
NCAWCBECAO86.4°80.0°
NCAWCBENBF159.0°162.1°
NCAWCBEH1033.9°41.1°
CAWNCD2H1179.9°37.1°
CAWNCD2H1241.5°85.2°
CAWNCAH1762.6°59.6°
OAECAWCBECAO88.3°100.0°
OAECAWCBENBF26.3°18.0°
OAECAWCBEH10151.4°138.9°
CAWCBECAONBF120.3°119.7°
CAWCBECAOH10121.2°121.1°
CAWCBECAOCBC95.7°141.6°
CAWCBENBFH10125.5°121.2°
CAWCBENBFCAP109.0°118.2°
CAWCBENBFCAU70.2°61.6°
CAWCBECAOH823.6°99.7°
CAWCBECAOH9145.0°23.5°
CBECAOCBCH8119.3°118.5°
CBECAOCBCH9119.3°118.3°
CAOCBENBFH10118.1°119.3°
CBECAOCBCOAG150.1°82.7°
CBECAOCBCCAP32.6°35.3°
CAOCBENBFCAP7.4°1.3°
CAOCBENBFCAU173.4°178.9°
CBECAOCBCH686.8°153.4°
CBECAOH8H9122.0°123.3°
CBCCAOCBENBF24.6°21.9°
CAOCBCOAGCAP114.3°112.2°
CAOCBCOAGH6122.6°124.0°
CAOCBCCAPH6119.5°118.1°
CAOCBCCAPNBF27.6°37.0°
CAOCBCCAPH4146.7°155.9°
CAOCBCCAPH591.5°81.9°
CAOCBCOAGH7180.0°173.7°
CBCCAOH8H9122.0°123.0°
CBCCAOCBEH10143.1°97.3°
CBENBFCAPCBC12.5°24.3°
CBENBFCAPCAU179.1°179.8°
CBENBFCAUOAC0.4°0.3°
CBENBFCAUCAA178.6°179.7°
CBENBFCAPH4131.6°143.2°
CBENBFCAPH5106.6°94.6°
NBFCBECAOH8143.9°140.6°
NBFCBECAOH994.7°96.1°
OAGCBCCAPH6123.8°123.8°
OAGCBCCAPNBF144.3°81.1°
OAGCBCCAPH496.6°37.8°
OAGCBCCAPH525.2°160.1°
OAGCBCCAOH890.6°35.8°
OAGCBCCAOH930.8°159.0°
CBCCAPNBFH4119.1°118.9°
CBCCAPNBFH5119.1°118.9°
CBCCAPNBFCAU166.6°155.9°
CBCCAPH4H5122.6°122.3°
CAPCBCOAGH765.7°61.5°
CAPCBCCAOH8152.0°153.8°
CAPCBCCAOH986.7°83.0°
CAPNBFCAUOAC179.5°180.0°
CAPNBFCAUCAA0.5°0.0°
NBFCAPH4H5122.6°122.2°
NBFCAPCBCH691.9°155.1°
CAPNBFCBEH10125.5°120.7°
NBFCAUOACCAA178.9°180.0°
NBFCAUCAAH1179.0°90.0°
NBFCAUCAAH259.0°30.0°
NBFCAUCAAH361.0°150.0°
CAUNBFCAPH447.5°37.0°
CAUNBFCAPH574.3°85.2°
CAUNBFCBEH1055.3°59.5°
OACCAUCAAH10.0°90.0°
OACCAUCAAH2120.0°150.0°
OACCAUCAAH3120.0°30.0°
CAUCAAH1H2120.0°120.0°
CAUCAAH1H3120.0°120.0°
CAUCAAH2H3120.0°119.9°
H1CAAH2H3120.0°120.0°
H4CAPCBCH627.2°86.0°
H5CAPCBCH6149.0°36.2°
H6CBCOAGH757.4°62.4°
H6CBCCAOH832.6°88.1°
H6CBCCAOH9153.9°35.1°
H8CAOCBEH1097.6°21.4°
H9CAOCBEH1023.8°144.7°
H11CD2CGH1332.6°86.2°
H12CD2CGH1389.0°36.2°
H13CGOD1H1457.0°62.4°
H13CGCBH1534.1°88.1°
H13CGCBH1687.2°35.2°
H15CBCAH17143.6°21.4°
H16CBCAH1722.3°144.7°
H18NASCAMH1930.6°120.0°
H18NASCAMH20150.5°120.0°
H21CAICAKH220.4°0.0°
H23CAHCAJH240.2°0.0°
H26CABH27H28120.0°120.0°

222415

PDB entries from 2024-07-10

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