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3XV

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAFCAEdoub1.21Å1.24Å
CANCAKsing1.54Å1.52Å
CANOAMsing1.44Å1.46Å
C5C6doub1.40Å1.41ÅAromatic
C5C4sing1.39Å1.41ÅAromatic
NAJC6sing1.38Å1.35Å
NAJCAKsing1.46Å1.48Å
CAEC4sing1.48Å1.41Å
CAENADsing1.35Å1.35Å
C6N1sing1.33Å1.35ÅAromatic
C4N3doub1.33Å1.35ÅAromatic
CAKCALsing1.54Å1.52Å
CACNADsing1.47Å1.47Å
CACCABsing1.53Å1.55Å
OAACABsing1.43Å1.43Å
CATCAUsing1.53Å1.50Å
CATNASsing1.47Å1.48Å
CARCABsing1.53Å1.53Å
CARNASsing1.47Å1.47Å
OAMCALsing1.44Å1.46Å
CAUCAVsing1.51Å1.40Å
N1C2doub1.32Å1.40ÅAromatic
N3C2sing1.31Å1.39ÅAromatic
NASCAXsing1.47Å1.47Å
CAVCBBdoub1.39Å1.40ÅAromatic
CAVCAWsing1.38Å1.41ÅAromatic
CAXCAWsing1.51Å1.40Å
CBBCBAsing1.38Å1.40ÅAromatic
CAWCAYdoub1.39Å1.41ÅAromatic
CBACAZdoub1.38Å1.39ÅAromatic
CAYCAZsing1.38Å1.39ÅAromatic
C2H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
CATH3sing1.09Å1.10Å
CATH4sing1.09Å1.10Å
CAUH5sing1.09Å1.10Å
CAUH6sing1.09Å1.10Å
CBBH7sing1.08Å1.08Å
CBAH8sing1.08Å1.08Å
CAZH9sing1.08Å1.08Å
CAYH10sing1.08Å1.08Å
CAXH11sing1.09Å1.10Å
CAXH12sing1.09Å1.10Å
CARH14sing1.09Å1.10Å
CARH15sing1.09Å1.10Å
CABH16sing1.09Å1.10Å
OAAH17sing0.97Å0.95Å
CACH18sing1.09Å1.10Å
CACH19sing1.09Å1.10Å
NADH20sing0.97Å1.00Å
NAJH21sing0.97Å1.00Å
CAKH22sing1.09Å1.10Å
CALH23sing1.09Å1.10Å
CALH24sing1.09Å1.10Å
CANH25sing1.09Å1.10Å
CANH26sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAFCAEC4121.7°120.0°
OAFCAENAD123.5°120.0°
CAKCANOAM87.8°85.5°
CANCAKNAJ111.1°113.8°
CANCAKCAL86.3°85.8°
CANCAKH22114.5°113.9°
CAKCANH25114.6°113.9°
CAKCANH26114.6°113.8°
CANOAMCAL91.0°93.3°
OAMCANH25114.6°113.9°
OAMCANH26114.6°113.9°
C6C5C4119.0°118.2°
C5C6NAJ121.0°120.5°
C5C6N1119.9°118.9°
C6C5H2120.5°120.9°
C5C4CAE120.3°120.5°
C5C4N3120.3°119.0°
C4C5H2120.5°120.9°
C6NAJCAK122.0°120.0°
NAJC6N1119.2°120.6°
C6NAJH21106.3°120.0°
NAJCAKCAL111.9°113.8°
CAKNAJH21106.2°120.0°
NAJCAKH22115.2°113.0°
C4CAENAD114.8°120.0°
CAEC4N3119.4°120.5°
CAENADCAC122.6°120.0°
CAENADH20118.7°120.0°
C6N1C2121.2°120.9°
C4N3C2121.0°120.9°
CAKCALOAM87.7°85.5°
CALCAKH22114.5°113.8°
CAKCALH23114.6°113.9°
CAKCALH24114.6°113.9°
NADCACCAB108.2°109.5°
NADCACH18109.8°109.5°
NADCACH19109.8°109.4°
CACNADH20118.7°120.0°
CACCABOAA111.2°109.5°
CACCABCAR110.4°109.5°
CACCABH16108.3°109.5°
CABCACH18109.8°109.5°
CABCACH19109.8°109.5°
OAACABCAR108.7°109.4°
OAACABH16109.8°109.5°
CABOAAH17109.5°114.0°
CAUCATNAS111.1°108.5°
CATCAUCAV110.9°110.0°
CAUCATH3109.0°109.7°
CAUCATH4109.0°109.6°
CATCAUH5109.1°109.4°
CATCAUH6109.1°109.4°
CATNASCAR107.2°111.0°
CATNASCAX112.9°110.3°
NASCATH3109.0°109.6°
NASCATH4109.0°109.6°
CABCARNAS111.3°109.5°
CABCARH14109.0°109.5°
CABCARH15109.0°109.5°
CARCABH16108.4°109.5°
CARNASCAX108.5°111.0°
NASCARH14109.0°109.5°
NASCARH15109.0°109.5°
OAMCALH23114.6°113.8°
OAMCALH24114.6°113.9°
CAUCAVCBB118.1°118.4°
CAUCAVCAW122.7°121.7°
CAVCAUH5109.1°109.5°
CAVCAUH6109.1°109.4°
N1C2N3118.7°122.1°
N1C2H1120.6°119.0°
N3C2H1120.7°119.0°
NASCAXCAW113.3°110.4°
NASCAXH11108.5°109.3°
NASCAXH12108.5°109.1°
CBBCAVCAW119.2°119.9°
CAVCBBCBA120.5°120.3°
CAVCBBH7119.7°119.9°
CAVCAWCAX122.8°121.9°
CAVCAWCAY119.5°119.8°
CAXCAWCAY117.7°118.4°
CAWCAXH11108.5°109.3°
CAWCAXH12108.5°109.3°
CBBCBACAZ120.3°119.8°
CBACBBH7119.7°119.8°
CBBCBAH8119.9°120.1°
CAWCAYCAZ120.6°120.3°
CAWCAYH10119.7°119.9°
CBACAZCAY119.9°119.9°
CAZCBAH8119.8°120.1°
CBACAZH9120.1°120.0°
CAYCAZH9120.0°120.1°
CAZCAYH10119.7°119.8°
H3CATH4109.5°109.8°
H5CAUH6109.5°109.2°
H11CAXH12109.5°109.4°
H14CARH15109.5°109.5°
H18CACH19109.5°109.5°
H23CALH24109.5°113.0°
H25CANH26109.4°113.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAFCAEC4C539.9°0.0°
OAFCAEC4NAD178.7°180.0°
OAFCAEC4N3141.5°180.0°
OAFCAENADCAC3.4°0.0°
OAFCAENADH20176.6°180.0°
CAKCANOAMH25116.1°114.2°
CAKCANOAMH26116.1°114.1°
CANCAKNAJC6178.8°108.8°
CANCAKNAJCAL94.6°96.2°
CANCAKNAJH22132.3°132.0°
CANCAKCALH22115.3°114.4°
CAKCANOAMCAL20.6°24.2°
CANCAKNAJH2159.5°71.2°
CANCAKCALH2396.4°136.7°
CANCAKCALH24135.8°91.7°
CAKCANH25H26130.3°132.0°
OAMCANCAKNAJ131.9°91.6°
OAMCANCAKH2295.5°136.8°
CANOAMCALH2395.5°138.4°
CANOAMCALH24136.7°90.0°
OAMCANH25H26130.3°132.1°
C6C5C4H2180.0°179.7°
C5C6NAJN1180.0°179.7°
C5C6NAJCAK174.6°0.0°
C6C5C4CAE179.1°179.7°
C6C5C4N30.5°0.3°
C5C6N1C20.0°0.0°
C5C6NAJH2163.6°180.0°
C4C5C6NAJ180.0°180.0°
C5C4CAEN3178.6°180.0°
C5C4CAENAD138.8°180.0°
C4C5C6N10.0°0.3°
C5C4N3C20.8°0.0°
C6NAJCAKH21121.7°180.0°
C6NAJCAKCAL84.1°155.0°
NAJC6N1C2179.9°179.7°
NAJC6C5H20.0°0.3°
C6NAJCAKH2248.9°23.2°
CAKNAJC6N15.4°179.7°
NAJCAKCALH22133.4°131.4°
NAJCAKCALOAM131.0°91.7°
NAJCAKCALH2314.9°22.4°
NAJCAKCALH24112.9°154.1°
NAJCAKCANH25112.0°154.2°
NAJCAKCANH2615.7°22.5°
C4CAENADCAC175.3°180.0°
CAEC4N3C2179.4°180.0°
CAEC4C5H20.9°0.1°
C4CAENADH204.7°0.0°
NADCAEC4N339.8°0.0°
CAENADCACH20180.0°180.0°
CAENADCACCAB114.3°180.0°
CAENADCACH185.5°60.0°
CAENADCACH19125.9°60.0°
C6N1C2N30.3°0.2°
C6N1C2H1179.7°179.9°
N1C6C5H2179.9°180.0°
N1C6NAJH21116.4°0.3°
C4N3C2N10.8°0.2°
C4N3C2H1179.2°179.9°
N3C4C5H2179.5°180.0°
CAKCALOAMH23116.1°114.2°
CAKCALOAMH24116.1°114.2°
CALCAKNAJH21154.1°25.0°
CAKCALH23H24130.4°132.1°
CALCAKCANH25135.9°91.6°
CALCAKCANH2696.4°136.7°
NADCACCABH18119.8°120.0°
NADCACCABH19119.8°120.0°
NADCACCABOAA164.7°60.1°
NADCACCABCAR44.0°180.0°
NADCACCABH1674.6°60.0°
NADCACH18H19120.6°120.0°
CACCABOAACAR121.8°120.0°
CACCABOAAH16119.8°120.0°
CACCABCARH16118.4°120.0°
CACCABCARNAS176.9°175.0°
CACCABCARH1462.9°65.0°
CACCABCARH1556.6°55.0°
CACCABOAAH17180.0°59.9°
CABCACH18H19120.6°120.0°
CABCACNADH2065.7°0.0°
OAACABCARH16119.3°120.0°
OAACABCARNAS54.6°65.0°
OAACABCARH14174.9°55.0°
OAACABCARH1565.6°175.0°
OAACABCACH1844.9°60.0°
OAACABCACH1975.5°180.0°
CAUCATNASH3120.2°119.8°
CAUCATNASH4120.2°119.7°
CAUCATNASCAR179.2°165.4°
CATCAUCAVH5120.2°120.2°
CATCAUCAVH6120.2°120.1°
CAUCATNASCAX59.8°71.3°
CATCAUCAVCBB160.4°163.2°
CATCAUCAVCAW19.7°16.9°
CAUCATH3H4119.2°120.5°
CATCAUH5H6119.4°119.7°
CATNASCARCAB164.2°170.0°
CATNASCARCAX122.2°123.0°
NASCATCAUCAV48.2°50.3°
CATNASCAXCAW39.1°52.6°
NASCATH3H4119.2°120.5°
NASCATCAUH5168.4°170.6°
NASCATCAUH672.0°69.8°
CATNASCAXH11159.6°67.7°
CATNASCAXH1281.5°172.8°
CATNASCARH1475.5°50.0°
CATNASCARH1544.0°70.0°
CABCARNASH14120.3°120.0°
CABCARNASH15120.2°120.0°
CABCARNASCAX73.6°67.0°
CABCARH14H15119.2°120.0°
CARCABOAAH1758.3°60.1°
CARCABCACH1875.9°60.0°
CARCABCACH19163.7°60.1°
CARNASCAXCAW157.7°176.0°
CARNASCATH360.6°45.6°
CARNASCATH459.0°74.9°
CARNASCAXH1181.7°55.7°
CARNASCAXH1237.1°63.9°
NASCARH14H15119.2°120.0°
NASCARCABH1664.7°55.0°
OAMCALCAKH2295.5°136.9°
OAMCALH23H24130.4°132.0°
CALOAMCANH25136.7°90.0°
CALOAMCANH2695.5°138.3°
CAUCAVCBBCAW179.8°180.0°
CAUCAVCAWCAX0.2°0.5°
CAUCAVCBBCBA179.8°179.9°
CAUCAVCAWCAY180.0°179.8°
CAVCAUCATH3168.5°170.1°
CAVCAUCATH472.0°69.4°
CAVCAUH5H6119.3°119.8°
CAUCAVCBBH70.2°0.2°
N1C2N3H1180.0°179.7°
NASCAXCAWCAV9.6°17.6°
NASCAXCAWH11120.6°120.3°
NASCAXCAWH12120.6°120.0°
NASCAXCAWCAY170.6°162.7°
CAXNASCATH3180.0°169.0°
CAXNASCATH460.4°48.4°
NASCAXH11H12118.3°119.4°
CAXNASCARH1446.7°173.0°
CAXNASCARH15166.2°53.0°
CBBCAVCAWCAX179.9°179.5°
CAVCBBCBAH7180.0°179.9°
CBBCAVCAWCAY0.2°0.2°
CAVCBBCBACAZ0.3°0.1°
CBBCAVCAUH540.2°43.0°
CBBCAVCAUH679.3°76.7°
CAVCBBCBAH8179.7°179.9°
CAVCAWCAXCAY179.8°179.7°
CAWCAVCBBCBA0.4°0.1°
CAVCAWCAYCAZ0.2°0.1°
CAWCAVCAUH5140.0°137.1°
CAWCAVCAUH6100.5°103.2°
CAWCAVCBBH7179.6°179.9°
CAVCAWCAYH10179.8°179.8°
CAVCAWCAXH11130.2°102.6°
CAVCAWCAXH12111.0°137.7°
CAXCAWCAYCAZ179.6°179.6°
CAXCAWCAYH100.4°0.5°
CAWCAXH11H12118.2°119.7°
CBBCBACAZH8180.0°180.0°
CBBCBACAZCAY0.0°0.1°
CBBCBACAZH9180.0°179.9°
CAWCAYCAZCBA0.3°0.0°
CAWCAYCAZH10180.0°180.0°
CAWCAYCAZH9179.7°180.0°
CAYCAWCAXH1150.1°77.1°
CAYCAWCAXH1268.8°42.6°
CBACAZCAYH9180.0°180.0°
CAZCBACBBH7179.7°180.0°
CBACAZCAYH10179.7°179.9°
CAYCAZCBAH8180.0°179.9°
H3CATCAUH571.3°69.7°
H3CATCAUH648.2°49.9°
H4CATCAUH548.2°50.9°
H4CATCAUH6167.8°170.5°
H7CBBCBAH80.3°0.0°
H8CBACAZH90.0°0.1°
H9CAZCAYH100.3°0.0°
H14CARCABH1655.6°175.0°
H15CARCABH16175.1°65.0°
H16CABOAAH1760.2°180.0°
H16CABCACH18165.6°180.0°
H16CABCACH1945.2°60.0°
H18CACNADH20174.5°120.0°
H19CACNADH2054.1°120.0°
H21NAJCAKH2272.8°156.8°
H22CAKCALH23148.4°109.0°
H22CAKCALH2420.5°22.7°
H22CAKCANH2520.6°22.6°
H22CAKCANH26148.4°109.1°

222415

PDB entries from 2024-07-10

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