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IWA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NCAsing1.47Å1.47Å
OCdoub1.21Å1.25Å
CACsing1.51Å1.54Å
CACBsing1.53Å1.53Å
COXTsing1.34Å1.25Å
CAMCANdoub1.37Å1.40ÅAromatic
CAMCBBsing1.39Å1.39ÅAromatic
CGCBsing1.53Å1.53Å
CGCDsing1.51Å1.54Å
NE2CBBsing1.40Å1.35Å
NE2CDsing1.35Å1.35Å
CANCBHsing1.40Å1.33ÅAromatic
CBBCAOdoub1.39Å1.40ÅAromatic
CDOE1doub1.21Å1.24Å
O2C2doub1.22Å1.22Å
CAJCAHdoub1.38Å1.39ÅAromatic
CAJCALsing1.38Å1.40ÅAromatic
CBHNAVsing1.36Å1.35ÅAromatic
CBHCBGdoub1.41Å1.35ÅAromatic
CAAN3sing1.47Å1.49Å
C2N3sing1.35Å1.34Å
C2N1sing1.34Å1.40Å
CAHCAIsing1.38Å1.39ÅAromatic
CAOCBGsing1.39Å1.36ÅAromatic
N3C4sing1.39Å1.34Å
N1C6sing1.35Å1.39Å
NAVCBCdoub1.31Å1.33ÅAromatic
CALCBAdoub1.38Å1.40ÅAromatic
CBGNASsing1.38Å1.33ÅAromatic
C4C5doub1.39Å1.35ÅAromatic
C4N9sing1.33Å1.34ÅAromatic
C6C5sing1.41Å1.35Å
C6O6doub1.22Å1.24Å
CAICAKdoub1.38Å1.40ÅAromatic
C5N7sing1.39Å1.34ÅAromatic
N9C8doub1.32Å1.33ÅAromatic
CBCNASsing1.37Å1.34ÅAromatic
CBCSAXsing1.76Å1.76Å
CBACAKsing1.38Å1.39ÅAromatic
CBACARsing1.51Å1.41Å
N7C8sing1.36Å1.34ÅAromatic
N7CARsing1.47Å1.51Å
C8SAXsing1.76Å1.79Å
N1H1sing0.97Å1.00Å
NH2sing1.01Å1.00Å
NH3sing1.01Å1.00Å
CAH5sing1.09Å1.10Å
CAAH6sing1.09Å1.10Å
CAAH7sing1.09Å1.10Å
CAAH8sing1.09Å1.10Å
CAHH9sing1.08Å1.08Å
CAIH10sing1.08Å1.08Å
CAJH11sing1.08Å1.08Å
CAKH12sing1.08Å1.08Å
CALH13sing1.08Å1.08Å
CAMH14sing1.08Å1.08Å
CANH15sing1.08Å1.08Å
CAOH16sing1.08Å1.08Å
CARH17sing1.09Å1.10Å
CARH18sing1.09Å1.10Å
NASH19sing0.97Å1.00Å
CBH21sing1.09Å1.10Å
CBH22sing1.09Å1.10Å
CGH23sing1.09Å1.10Å
CGH24sing1.09Å1.10Å
NE2H25sing0.97Å1.00Å
OXTH26sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NCAC110.4°109.4°
NCACB114.3°109.5°
CANH2109.5°111.0°
CANH3109.5°111.0°
NCAH5108.5°109.4°
OCCA116.9°120.0°
OCOXT125.9°120.0°
CCACB108.0°109.5°
CACOXT117.1°120.0°
CCAH5107.6°109.5°
CACBCG113.9°109.5°
CBCAH5107.8°109.5°
CACBH21108.3°109.4°
CACBH22108.4°109.5°
COXTH26109.5°117.0°
CANCAMCBB120.7°120.6°
CAMCANCBH120.2°120.0°
CANCAMH14119.7°119.7°
CAMCANH15119.9°120.0°
CAMCBBNE2117.3°119.9°
CAMCBBCAO117.1°120.3°
CBBCAMH14119.7°119.7°
CBCGCD106.0°109.4°
CGCBH21108.3°109.5°
CGCBH22108.3°109.5°
CBCGH23110.3°109.5°
CBCGH24110.3°109.5°
CGCDNE2113.6°120.0°
CGCDOE1119.7°120.0°
CDCGH23110.3°109.4°
CDCGH24110.3°109.4°
CBBNE2CD124.2°120.0°
NE2CBBCAO125.5°119.8°
CBBNE2H25117.9°120.0°
NE2CDOE1126.6°120.0°
CDNE2H25117.9°120.0°
CANCBHNAV130.9°133.4°
CANCBHCBG119.7°119.6°
CBHCANH15119.9°120.0°
CBBCAOCBG119.7°119.6°
CBBCAOH16120.1°120.2°
O2C2N3119.0°119.2°
O2C2N1120.3°119.2°
CAHCAJCAL120.0°120.0°
CAJCAHCAI119.7°120.1°
CAJCAHH9120.2°120.0°
CAHCAJH11120.0°120.1°
CAJCALCBA120.5°120.0°
CALCAJH11120.0°120.0°
CAJCALH13119.7°120.0°
NAVCBHCBG109.3°107.1°
CBHNAVCBC105.9°109.6°
CBHCBGCAO122.5°119.9°
CBHCBGNAS107.0°106.2°
CAAN3C2119.0°119.9°
CAAN3C4120.8°120.0°
N3CAAH6109.5°109.5°
N3CAAH7109.5°109.5°
N3CAAH8109.4°109.5°
N3C2N1120.6°121.6°
C2N3C4120.2°120.1°
C2N1C6118.2°121.0°
C2N1H1120.9°119.5°
CAHCAICAK120.1°120.0°
CAICAHH9120.2°120.0°
CAHCAIH10119.9°120.0°
CAOCBGNAS130.5°133.9°
CBGCAOH16120.1°120.2°
N3C4C5120.8°118.7°
N3C4N9129.8°133.7°
N1C6C5118.9°119.3°
N1C6O6117.7°120.3°
C6N1H1120.9°119.5°
NAVCBCNAS109.8°109.9°
NAVCBCSAX126.9°125.0°
CALCBACAK119.3°120.0°
CALCBACAR121.8°120.0°
CBACALH13119.8°120.0°
CBGNASCBC108.0°107.2°
CBGNASH19126.0°126.4°
C5C4N9109.5°107.6°
C4C5C6121.3°119.3°
C4C5N7106.9°106.3°
C4N9C8106.0°110.0°
C5C6O6123.4°120.4°
C6C5N7131.8°134.4°
CAICAKCBA120.4°120.0°
CAKCAIH10119.9°120.0°
CAICAKH12119.8°120.0°
C5N7C8107.3°106.7°
C5N7CAR126.0°126.6°
N9C8N7110.3°109.4°
N9C8SAX124.1°125.3°
NASCBCSAX123.3°125.1°
CBCNASH19126.0°126.4°
CBCSAXC8101.8°100.0°
CAKCBACAR118.9°120.0°
CBACAKH12119.8°120.0°
CBACARN7112.3°109.5°
CBACARH17108.8°109.4°
CBACARH18108.8°109.5°
C8N7CAR126.7°126.7°
N7C8SAX125.6°125.3°
N7CARH17108.8°109.5°
N7CARH18108.8°109.5°
H2NH3109.4°111.0°
H6CAAH7109.5°109.5°
H6CAAH8109.5°109.5°
H7CAAH8109.5°109.4°
H17CARH18109.5°109.5°
H21CBH22109.5°109.5°
H23CGH24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NCACO49.7°20.1°
NCACCB125.6°120.0°
NCACH5118.3°119.9°
NCACBH5120.7°120.0°
NCACOXT133.2°160.0°
NCACBCG22.9°65.0°
CANH2H3120.0°124.0°
NCACBH21143.5°175.0°
NCACBH2297.8°55.0°
OCCAOXT177.0°179.9°
OCCACB175.4°99.9°
OCCAH568.6°140.0°
OCOXTH260.0°0.1°
CCACBH5116.0°120.0°
CCACBCG146.2°175.0°
CCANH2180.0°60.1°
CCANH360.0°63.9°
CCACBH2193.2°55.0°
CCACBH2225.5°65.0°
CACOXTH26176.7°180.0°
CBCACOXT7.6°80.0°
CACBCGH21120.6°119.9°
CACBCGH22120.7°120.0°
CACBCGCD129.8°180.0°
CBCANH258.0°60.0°
CBCANH362.0°176.1°
CACBH21H22118.0°120.0°
CACBCGH23110.8°60.1°
CACBCGH2410.3°60.0°
OXTCCAH5108.4°40.1°
CANCAMCBBH14180.0°179.6°
CANCAMCBBNE2179.4°180.0°
CAMCANCBHH15180.0°179.9°
CANCAMCBBCAO1.0°0.1°
CAMCANCBHNAV179.2°180.0°
CAMCANCBHCBG0.2°0.0°
CAMCBBNE2CAO178.3°180.0°
CAMCBBNE2CD151.1°146.6°
CBBCAMCANCBH0.6°0.1°
CAMCBBCAOCBG1.0°0.0°
CBBCAMCANH15179.4°180.0°
CAMCBBCAOH16179.0°179.9°
CAMCBBNE2H2528.9°33.4°
CBCGCDH23119.5°120.0°
CBCGCDH24119.5°120.0°
CBCGCDNE2145.0°180.0°
CBCGCDOE131.2°0.0°
CGCBCAH597.8°54.9°
CGCBH21H22118.0°120.1°
CBCGH23H24121.6°120.1°
CGCDNE2CBB178.6°174.7°
CGCDNE2OE1175.9°179.9°
CDCGCBH219.1°60.0°
CDCGCBH22109.6°60.0°
CDCGH23H24121.6°120.0°
CGCDNE2H251.5°5.3°
CBBNE2CDH25180.0°180.0°
CBBNE2CDOE12.6°5.2°
NE2CBBCAOCBG179.3°180.0°
NE2CBBCAMH140.6°0.3°
NE2CBBCAOH160.7°0.0°
CDNE2CBBCAO30.6°33.5°
NE2CDCGH2395.5°60.0°
NE2CDCGH2425.6°60.0°
CANCBHNAVCBG179.4°180.0°
CANCBHCBGCAO0.2°0.1°
CANCBHNAVCBC179.3°180.0°
CANCBHCBGNAS179.9°180.0°
CBHCANCAMH14179.4°179.7°
CBBCAOCBGCBH0.6°0.1°
CBBCAOCBGH16180.0°179.9°
CBBCAOCBGNAS179.7°180.0°
CAOCBBCAMH14179.0°179.7°
CAOCBBNE2H25149.4°146.5°
OE1CDCGH2388.2°120.0°
OE1CDCGH24150.7°120.0°
OE1CDNE2H25177.4°174.8°
O2C2N3CAA0.5°0.5°
O2C2N3N1178.9°179.5°
O2C2N3C4179.3°179.9°
O2C2N1C6180.0°179.7°
O2C2N1H10.0°0.3°
CAHCAJCALH11180.0°180.0°
CAJCAHCAIH9180.0°179.7°
CAHCAJCALCBA0.3°0.5°
CAJCAHCAICAK0.1°0.3°
CAJCAHCAIH10179.9°179.8°
CAHCAJCALH13179.7°179.9°
CALCAJCAHCAI0.1°0.1°
CAJCALCBAH13180.0°179.4°
CAJCALCBACAK0.3°0.9°
CAJCALCBACAR180.0°180.0°
CALCAJCAHH9179.8°179.7°
NAVCBHCBGCAO179.3°179.9°
NAVCBHCBGNAS0.4°0.0°
CBHNAVCBCNAS0.6°0.1°
CBHNAVCBCSAX179.6°180.0°
NAVCBHCANH150.8°0.0°
CBHCBGCAONAS179.7°179.9°
CBGCBHNAVCBC0.1°0.0°
CBHCBGNASCBC0.7°0.0°
CBGCBHCANH15179.8°179.9°
CBHCBGCAOH16179.4°180.0°
CBHCBGNASH19179.3°179.9°
CAAN3C2C4179.8°179.6°
CAAN3C2N1179.4°180.0°
CAAN3C4C5179.7°180.0°
CAAN3C4N90.2°0.2°
N3CAAH6H7120.0°120.0°
N3CAAH6H8120.0°120.0°
N3CAAH7H8120.0°120.0°
N3C2N1C61.1°0.2°
C2N3C4C50.1°0.4°
C2N3C4N9180.0°179.8°
N3C2N1H1178.9°179.8°
C2N3CAAH6180.0°90.4°
C2N3CAAH760.0°29.6°
C2N3CAAH860.0°149.5°
N1C2N3C40.4°0.4°
C2N1C6H1180.0°180.0°
C2N1C6C51.5°0.0°
C2N1C6O6179.4°179.9°
CAHCAICAKH10180.0°179.9°
CAHCAICAKCBA0.1°0.0°
CAICAHCAJH11179.9°179.9°
CAHCAICAKH12179.9°179.9°
CAOCBGNASCBC179.0°179.9°
CAOCBGNASH191.0°0.0°
N3C4C5N9180.0°179.9°
N3C4C5C60.5°0.2°
N3C4C5N7179.6°179.8°
N3C4N9C8179.8°179.8°
C4N3CAAH60.2°90.0°
C4N3CAAH7119.8°150.0°
C4N3CAAH8120.2°30.1°
N1C6C5C41.2°0.0°
N1C6C5O6179.0°180.0°
N1C6C5N7178.9°180.0°
NAVCBCNASCBG0.8°0.0°
NAVCBCNASSAX179.8°179.9°
NAVCBCSAXC81.9°0.1°
NAVCBCNASH19179.2°179.9°
CALCBACAKCAI0.1°0.6°
CALCBACAKCAR179.7°179.1°
CALCBACARN79.6°90.0°
CBACALCAJH11179.7°179.5°
CALCBACAKH12179.9°179.5°
CALCBACARH17130.0°150.0°
CALCBACARH18110.8°30.0°
CBGNASCBCH19180.0°179.9°
CBGNASCBCSAX179.3°180.0°
NASCBGCAOH160.3°0.1°
C4C5C6N7179.9°180.0°
C4C5C6O6179.7°179.9°
C5C4N9C80.1°0.1°
C4C5N7C80.5°0.0°
C4C5N7CAR179.2°180.0°
N9C4C5C6179.5°180.0°
N9C4C5N70.4°0.0°
C4N9C8N70.2°0.1°
C4N9C8SAX179.5°180.0°
C6C5N7C8179.4°180.0°
C6C5N7CAR0.7°0.0°
C5C6N1H1178.5°180.0°
O6C6C5N70.2°0.1°
O6C6N1H10.6°0.0°
CAICAKCBAH12180.0°179.9°
CAICAKCBACAR179.8°179.8°
CAKCAICAHH9180.0°180.0°
C5N7C8N90.4°0.1°
C5N7CARCBA74.8°90.0°
C5N7C8CAR178.7°180.0°
C5N7C8SAX179.3°180.0°
C5N7CARH1745.6°30.0°
C5N7CARH18164.8°150.0°
N9C8SAXCBC74.0°0.1°
N9C8N7SAX179.7°179.9°
N9C8N7CAR179.1°180.0°
NASCBCSAXC8178.3°180.0°
CBCSAXC8N7106.3°180.0°
SAXCBCNASH190.7°0.1°
CAKCBACARN7170.7°90.9°
CBACAKCAIH10179.9°179.9°
CAKCBACALH13179.7°179.7°
CAKCBACARH1750.3°29.1°
CAKCBACARH1868.9°149.2°
CBACARN7C8106.7°90.0°
CBACARN7H17120.4°120.0°
CBACARN7H18120.4°120.0°
CARCBACAKH120.2°0.3°
CARCBACALH130.0°0.6°
CBACARH17H18118.7°120.0°
C8N7CARH17132.9°150.1°
C8N7CARH1813.7°30.0°
CARN7C8SAX0.6°0.0°
N7CARH17H18118.7°120.0°
H2NCAH562.3°180.0°
H3NCAH5177.8°56.0°
H5CACBH2122.8°65.0°
H5CACBH22141.5°175.0°
H6CAAH7H8120.0°120.0°
H9CAHCAIH100.0°0.1°
H9CAHCAJH110.1°0.3°
H10CAICAKH120.1°0.0°
H11CAJCALH130.3°0.1°
H14CAMCANH150.6°0.4°
H21CBCGH23128.6°180.0°
H21CBCGH24110.3°59.9°
H22CBCGH239.9°59.9°
H22CBCGH24131.0°180.0°

223532

PDB entries from 2024-08-07

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