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2E8

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CADCAFdoub1.36Å1.37ÅAromatic
CADCAUsing1.40Å1.37ÅAromatic
CAFCAZsing1.41Å1.36ÅAromatic
OATCAUsing1.36Å1.33Å
OATCAKsing1.43Å1.39Å
CAUCAIdoub1.37Å1.38ÅAromatic
CAACAKsing1.53Å1.52Å
CAZCAJdoub1.40Å1.37ÅAromatic
CAZCAYsing1.42Å1.36ÅAromatic
CAJCAVsing1.38Å1.37ÅAromatic
CAICAYsing1.40Å1.36ÅAromatic
CAYCAGdoub1.41Å1.36ÅAromatic
NACC6sing1.38Å1.31Å
CAVCAXsing1.48Å1.36Å
CAVCAEdoub1.41Å1.36ÅAromatic
C6N1sing1.33Å1.31ÅAromatic
C6C5doub1.40Å1.36ÅAromatic
N1C2doub1.32Å1.33ÅAromatic
CAXC5sing1.46Å1.36ÅAromatic
CAXNASdoub1.31Å1.31ÅAromatic
C5C4sing1.41Å1.35ÅAromatic
CAGCAEsing1.36Å1.37ÅAromatic
NASNBEsing1.40Å1.22ÅAromatic
C2N3sing1.31Å1.31ÅAromatic
C4N3doub1.33Å1.32ÅAromatic
C4NBEsing1.36Å1.30ÅAromatic
NBECAPsing1.46Å1.46Å
CAPCBCsing1.53Å1.53Å
CBCCALsing1.53Å1.55Å
CBCCAMsing1.53Å1.52Å
CALCANsing1.53Å1.52Å
CAMCAOsing1.53Å1.52Å
CANNBDsing1.47Å1.48Å
CAONBDsing1.47Å1.45Å
NBDCABsing1.47Å1.47Å
CALH1sing1.09Å1.10Å
CALH2sing1.09Å1.10Å
CANH3sing1.09Å1.10Å
CANH4sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CABH8sing1.09Å1.10Å
CAOH9sing1.09Å1.10Å
CAOH10sing1.09Å1.10Å
CAMH11sing1.09Å1.10Å
CAMH12sing1.09Å1.10Å
CBCH13sing1.09Å1.10Å
CAPH14sing1.09Å1.10Å
CAPH15sing1.09Å1.10Å
C2H16sing1.08Å1.08Å
NACH17sing0.97Å1.00Å
NACH18sing0.97Å1.00Å
CAJH19sing1.08Å1.08Å
CAEH20sing1.08Å1.08Å
CAGH21sing1.08Å1.08Å
CAIH22sing1.08Å1.08Å
CAFH23sing1.08Å1.08Å
CADH24sing1.08Å1.08Å
CAKH25sing1.09Å1.10Å
CAKH26sing1.09Å1.10Å
CAAH27sing1.09Å1.10Å
CAAH28sing1.09Å1.10Å
CAAH29sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAFCADCAU119.4°120.9°
CADCAFCAZ120.9°119.7°
CADCAFH23119.5°120.1°
CAFCADH24120.3°119.6°
CADCAUOAT118.7°119.6°
CADCAUCAI119.4°120.9°
CAUCADH24120.3°119.5°
CAFCAZCAJ119.4°121.1°
CAFCAZCAY119.8°119.5°
CAZCAFH23119.6°120.1°
CAUOATCAK110.1°117.0°
OATCAUCAI121.9°119.5°
OATCAKCAA112.2°109.5°
OATCAKH25108.8°109.4°
OATCAKH26108.8°109.5°
CAUCAICAY120.3°119.7°
CAUCAIH22119.8°120.2°
CAACAKH25108.8°109.4°
CAACAKH26108.8°109.5°
CAKCAAH27109.5°109.5°
CAKCAAH28109.5°109.5°
CAKCAAH29109.5°109.4°
CAJCAZCAY120.8°119.4°
CAZCAJCAV119.9°119.5°
CAZCAJH19120.0°120.2°
CAZCAYCAI120.2°119.3°
CAZCAYCAG119.8°119.7°
CAJCAVCAX121.6°119.7°
CAJCAVCAE118.6°120.6°
CAVCAJH19120.1°120.3°
CAICAYCAG120.1°121.0°
CAYCAIH22119.8°120.2°
CAYCAGCAE119.4°119.9°
CAYCAGH21120.3°120.1°
NACC6N1117.1°120.8°
NACC6C5123.2°120.9°
C6NACH17109.5°120.0°
C6NACH18109.5°120.0°
CAXCAVCAE119.7°119.7°
CAVCAXC5128.8°126.3°
CAVCAXNAS124.2°126.3°
CAVCAECAG121.4°120.9°
CAVCAEH20119.3°119.5°
N1C6C5119.7°118.3°
C6N1C2121.4°121.1°
C6C5CAX138.9°135.0°
C6C5C4116.7°118.6°
N1C2N3121.0°122.7°
N1C2H16119.5°118.7°
C5CAXNAS106.9°107.4°
CAXC5C4104.4°106.4°
CAXNASNBE110.1°109.8°
C5C4N3122.9°118.6°
C5C4NBE107.3°106.9°
CAGCAEH20119.3°119.6°
CAECAGH21120.2°120.0°
NASNBEC4111.3°109.4°
NASNBECAP129.0°125.3°
C2N3C4118.2°120.7°
N3C2H16119.5°118.7°
N3C4NBE129.8°134.5°
C4NBECAP119.7°125.3°
NBECAPCBC117.4°109.5°
NBECAPH14107.5°109.5°
NBECAPH15107.5°109.5°
CAPCBCCAL113.2°109.6°
CAPCBCCAM106.2°109.5°
CAPCBCH13109.8°109.6°
CBCCAPH14107.5°109.4°
CBCCAPH15107.4°109.4°
CALCBCCAM108.0°109.2°
CBCCALCAN113.0°109.3°
CBCCALH1108.5°109.5°
CBCCALH2108.6°109.5°
CALCBCH13109.6°109.5°
CBCCAMCAO111.4°109.3°
CBCCAMH11109.0°109.5°
CBCCAMH12109.0°109.6°
CAMCBCH13110.0°109.5°
CALCANNBD112.3°109.5°
CANCALH1108.6°109.5°
CANCALH2108.6°109.5°
CALCANH3108.8°109.5°
CALCANH4108.8°109.5°
CAMCAONBD111.0°109.5°
CAMCAOH9109.1°109.5°
CAMCAOH10109.1°109.4°
CAOCAMH11109.0°109.5°
CAOCAMH12109.0°109.5°
CANNBDCAO109.3°111.2°
CANNBDCAB108.1°111.0°
NBDCANH3108.7°109.5°
NBDCANH4108.8°109.4°
CAONBDCAB105.8°111.0°
NBDCAOH9109.1°109.4°
NBDCAOH10109.1°109.4°
NBDCABH6109.5°109.5°
NBDCABH7109.5°109.5°
NBDCABH8109.5°109.5°
H1CALH2109.5°109.5°
H3CANH4109.5°109.4°
H6CABH7109.5°109.4°
H6CABH8109.5°109.5°
H7CABH8109.4°109.4°
H9CAOH10109.5°109.5°
H11CAMH12109.5°109.4°
H14CAPH15109.4°109.4°
H17NACH18109.4°120.0°
H25CAKH26109.5°109.4°
H27CAAH28109.4°109.5°
H27CAAH29109.4°109.5°
H28CAAH29109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAFCADCAUH24180.0°179.7°
CADCAFCAZH23180.0°180.0°
CAFCADCAUOAT179.6°179.9°
CAFCADCAUCAI0.2°0.5°
CADCAFCAZCAJ179.8°180.0°
CADCAFCAZCAY0.1°0.1°
CAUCADCAFCAZ0.4°0.3°
CADCAUOATCAI179.8°179.6°
CADCAUOATCAK117.4°0.1°
CADCAUCAICAY0.2°0.5°
CADCAUCAIH22179.8°179.5°
CAUCADCAFH23179.6°179.8°
CAFCAZCAJCAY179.9°180.0°
CAFCAZCAJCAV179.5°180.0°
CAFCAZCAYCAI0.2°0.1°
CAFCAZCAYCAG179.6°179.7°
CAFCAZCAJH190.6°0.0°
CAZCAFCADH24179.6°180.0°
CAUOATCAKCAA177.4°180.0°
OATCAUCAICAY180.0°179.9°
OATCAUCAIH220.0°0.1°
OATCAUCADH240.4°0.2°
CAUOATCAKH2557.0°60.1°
CAUOATCAKH2662.2°59.9°
CAKOATCAUCAI62.8°179.5°
OATCAKCAAH25120.4°119.9°
OATCAKCAAH26120.4°120.1°
OATCAKH25H26118.7°120.0°
OATCAKCAAH27180.0°60.0°
OATCAKCAAH2860.0°180.0°
OATCAKCAAH2960.0°60.1°
CAUCAICAYCAZ0.4°0.3°
CAUCAICAYH22180.0°179.9°
CAUCAICAYCAG179.4°179.9°
CAICAUCADH24179.8°179.8°
CAACAKH25H26118.8°120.0°
CAKCAAH27H28120.0°120.0°
CAKCAAH27H29120.0°120.0°
CAKCAAH28H29120.0°119.9°
CAZCAJCAVH19180.0°180.0°
CAJCAZCAYCAI179.8°180.0°
CAJCAZCAYCAG0.3°0.3°
CAZCAJCAVCAX178.5°180.0°
CAZCAJCAVCAE1.0°0.2°
CAJCAZCAFH230.2°0.0°
CAYCAZCAJCAV0.5°0.0°
CAZCAYCAICAG179.8°179.7°
CAZCAYCAGCAE0.7°0.3°
CAYCAZCAJH19179.5°180.0°
CAZCAYCAGH21179.3°179.7°
CAZCAYCAIH22179.6°179.7°
CAYCAZCAFH23179.9°180.0°
CAJCAVCAXCAE177.5°179.7°
CAJCAVCAXC538.2°44.9°
CAJCAVCAXNAS139.4°135.3°
CAJCAVCAECAG1.3°0.2°
CAJCAVCAEH20178.7°179.8°
CAICAYCAGCAE179.5°180.0°
CAICAYCAGH210.5°0.0°
CAYCAGCAECAV1.2°0.1°
CAYCAGCAEH21180.0°180.0°
CAYCAGCAEH20178.8°180.0°
CAGCAYCAIH220.6°0.0°
NACC6N1C5178.3°180.0°
NACC6N1C2180.0°180.0°
NACC6C5CAX0.6°0.3°
NACC6C5C4179.2°180.0°
C6NACH17H18120.0°180.0°
CAVCAXC5C61.3°0.1°
CAVCAXC5NAS177.9°179.8°
CAVCAXC5C4178.8°179.8°
CAXCAVCAECAG178.9°180.0°
CAVCAXNASNBE179.2°180.0°
CAXCAVCAJH191.5°0.0°
CAXCAVCAEH201.1°0.0°
CAECAVCAXC5144.3°135.4°
CAECAVCAXNAS38.1°44.4°
CAVCAECAGH20180.0°180.0°
CAECAVCAJH19179.0°179.7°
CAVCAECAGH21178.8°179.9°
N1C6C5CAX178.8°179.8°
N1C6C5C41.0°0.0°
C6N1C2N31.1°0.0°
C6N1C2H16178.9°180.0°
N1C6NACH170.0°16.5°
N1C6NACH18120.0°163.4°
C5C6N1C21.7°0.0°
C6C5CAXC4179.9°179.8°
C6C5CAXNAS179.2°179.8°
C6C5C4N30.2°0.0°
C6C5C4NBE179.7°180.0°
C5C6NACH17178.3°163.4°
C5C6NACH1861.7°16.6°
N1C2N3H16180.0°180.0°
N1C2N3C40.2°0.0°
C5CAXNASNBE1.2°0.1°
CAXC5C4N3179.9°179.8°
CAXC5C4NBE0.4°0.2°
NASCAXC5C40.9°0.0°
CAXNASNBEC40.9°0.2°
CAXNASNBECAP179.3°180.0°
C5C4NBENAS0.3°0.3°
C5C4N3C20.8°0.0°
C5C4N3NBE179.3°180.0°
C5C4NBECAP178.9°180.0°
NASNBEC4N3179.1°179.7°
NASNBEC4CAP178.5°179.7°
NASNBECAPCBC17.2°90.0°
NASNBECAPH14104.0°30.0°
NASNBECAPH15138.4°150.0°
C2N3C4NBE179.8°180.0°
N3C4NBECAP0.5°0.0°
C4N3C2H16179.8°179.9°
C4NBECAPCBC164.5°90.3°
C4NBECAPH1474.3°149.7°
C4NBECAPH1543.4°29.7°
NBECAPCBCH14121.2°120.0°
NBECAPCBCH15121.2°120.1°
NBECAPCBCCAL22.9°175.0°
NBECAPCBCCAM141.2°65.3°
NBECAPCBCH13100.0°54.8°
NBECAPH14H15116.4°120.1°
CAPCBCCALCAM117.3°119.9°
CAPCBCCALH13122.9°120.2°
CAPCBCCAMH13118.8°120.1°
CAPCBCCALCAN167.1°177.5°
CAPCBCCAMCAO175.2°177.6°
CAPCBCCALH146.6°62.5°
CAPCBCCALH272.4°57.6°
CAPCBCCAMH1164.6°57.6°
CAPCBCCAMH1254.9°62.4°
CBCCAPH14H15116.4°119.9°
CALCBCCAMH13119.6°119.9°
CBCCALCANH1120.5°119.9°
CBCCALCANH2120.5°120.0°
CALCBCCAMCAO53.5°57.6°
CBCCALCANNBD53.1°59.2°
CBCCALH1H2118.4°120.1°
CBCCALCANH3173.6°179.2°
CBCCALCANH467.3°60.8°
CALCBCCAMH11173.8°62.3°
CALCBCCAMH1266.8°177.6°
CALCBCCAPH14144.0°55.0°
CALCBCCAPH1598.3°64.9°
CAMCBCCALCAN49.9°57.6°
CBCCAMCAOH11120.3°119.9°
CBCCAMCAOH12120.3°120.1°
CBCCAMCAONBD61.7°59.1°
CAMCBCCALH170.7°177.6°
CAMCBCCALH2170.4°62.4°
CBCCAMCAOH958.5°179.1°
CBCCAMCAOH10178.1°60.9°
CBCCAMH11H12119.1°120.1°
CAMCBCCAPH1497.7°174.7°
CAMCBCCAPH1520.0°54.8°
CALCANNBDH3120.4°120.1°
CALCANNBDH4120.4°120.0°
CALCANNBDCAO57.7°61.7°
CALCANNBDCAB172.4°174.2°
CANCALH1H2118.4°120.1°
CALCANH3H4118.7°120.0°
CANCALCBCH1369.9°62.3°
CAMCAONBDCAN61.7°61.7°
CAMCAONBDH9120.2°120.0°
CAMCAONBDH10120.2°120.0°
CAMCAONBDCAB177.9°174.2°
CAMCAOH9H10119.3°120.0°
CAOCAMH11H12119.1°120.1°
CAOCAMCBCH1366.1°62.3°
CANNBDCAOCAB116.2°124.1°
NBDCANCALH167.4°179.1°
NBDCANCALH2173.6°60.8°
NBDCANH3H4118.7°119.9°
CANNBDCABH6180.0°60.0°
CANNBDCABH760.0°180.0°
CANNBDCABH860.0°60.0°
CANNBDCAOH958.6°178.3°
CANNBDCAOH10178.1°58.3°
CAONBDCANH3178.1°178.2°
CAONBDCANH462.8°58.3°
CAONBDCABH663.0°64.2°
CAONBDCABH7177.0°55.8°
CAONBDCABH857.0°175.8°
NBDCAOH9H10119.3°119.9°
NBDCAOCAMH11178.0°60.8°
NBDCAOCAMH1258.6°179.2°
CABNBDCANH367.2°54.1°
CABNBDCANH452.0°65.8°
NBDCABH6H7120.0°120.0°
NBDCABH6H8120.0°120.0°
NBDCABH7H8120.0°120.0°
CABNBDCAOH957.7°54.1°
CABNBDCAOH1061.9°65.8°
H1CALCANH353.1°60.9°
H1CALCANH4172.2°59.1°
H1CALCBCH13169.5°57.7°
H2CALCANH365.9°59.2°
H2CALCANH453.2°179.2°
H2CALCBCH1350.6°177.8°
H6CABH7H8120.0°120.0°
H9CAOCAMH1161.8°59.2°
H9CAOCAMH12178.8°60.8°
H10CAOCAMH1157.8°179.2°
H10CAOCAMH1261.6°59.2°
H11CAMCBCH1354.2°177.8°
H12CAMCBCH13173.6°57.7°
H13CBCCAPH1421.2°65.2°
H13CBCCAPH15138.9°174.9°
H20CAECAGH211.2°0.1°
H23CAFCADH240.4°0.0°
H25CAKCAAH2759.6°60.0°
H25CAKCAAH28179.6°60.1°
H25CAKCAAH2960.4°NaN°
H26CAKCAAH2759.6°180.0°
H26CAKCAAH2860.4°59.9°
H26CAKCAAH29179.6°60.0°
H27CAAH28H29120.0°120.0°

224572

PDB entries from 2024-09-04

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