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V68

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAOCAMsing1.53Å1.53Å
CAONBFsing1.47Å1.47Å
CAMCBEsing1.53Å1.55Å
CACNBFsing1.47Å1.47Å
NBFCANsing1.47Å1.47Å
CBECAQsing1.53Å1.52Å
CBECALsing1.53Å1.54Å
CANCALsing1.53Å1.53Å
CAQNBGsing1.47Å1.48Å
N3C2doub1.31Å1.33ÅAromatic
N3C4sing1.33Å1.34ÅAromatic
C2N1sing1.32Å1.33ÅAromatic
NBGC4sing1.36Å1.32ÅAromatic
NBGNATsing1.40Å1.24ÅAromatic
C4C5doub1.41Å1.39ÅAromatic
CAFCAHdoub1.36Å1.40ÅAromatic
CAFCAWsing1.40Å1.40ÅAromatic
NATCAYdoub1.31Å1.34ÅAromatic
N1C6doub1.33Å1.35ÅAromatic
C5C6sing1.40Å1.40ÅAromatic
C5CAYsing1.46Å1.40ÅAromatic
C6NADsing1.38Å1.34Å
CAYCAWsing1.48Å1.40Å
CAHCAZsing1.41Å1.39ÅAromatic
CAWCAKdoub1.38Å1.40ÅAromatic
CAZCAJdoub1.40Å1.40ÅAromatic
CAZCBAsing1.42Å1.40ÅAromatic
CAJCAVsing1.38Å1.40ÅAromatic
CAACBDsing1.53Å1.53Å
CAKCBAsing1.40Å1.40ÅAromatic
CBACAGdoub1.41Å1.39ÅAromatic
CAPCBDsing1.53Å1.54Å
CAPOAUsing1.43Å1.44Å
CBDCABsing1.53Å1.54Å
CAVOAUsing1.36Å1.37Å
CAVCAEdoub1.40Å1.39ÅAromatic
CAGCAEsing1.36Å1.39ÅAromatic
CALH1sing1.09Å1.10Å
CALH2sing1.09Å1.10Å
CANH3sing1.09Å1.10Å
CANH4sing1.09Å1.10Å
CACH6sing1.09Å1.10Å
CACH7sing1.09Å1.10Å
CACH8sing1.09Å1.10Å
CAOH9sing1.09Å1.10Å
CAOH10sing1.09Å1.10Å
CAMH11sing1.09Å1.10Å
CAMH12sing1.09Å1.10Å
CBEH13sing1.09Å1.10Å
CAQH14sing1.09Å1.10Å
CAQH15sing1.09Å1.10Å
C2H16sing1.08Å1.08Å
NADH17sing0.97Å1.00Å
NADH18sing0.97Å1.00Å
CAKH19sing1.08Å1.08Å
CAFH20sing1.08Å1.08Å
CAHH21sing1.08Å1.08Å
CAJH22sing1.08Å1.08Å
CAGH23sing1.08Å1.08Å
CAEH24sing1.08Å1.08Å
CAPH25sing1.09Å1.10Å
CAPH26sing1.09Å1.10Å
CBDH27sing1.09Å1.10Å
CABH28sing1.09Å1.10Å
CABH29sing1.09Å1.10Å
CABH30sing1.09Å1.10Å
CAAH31sing1.09Å1.10Å
CAAH32sing1.09Å1.10Å
CAAH33sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAMCAONBF110.1°109.5°
CAOCAMCBE115.8°109.3°
CAMCAOH9109.3°109.5°
CAMCAOH10109.3°109.5°
CAOCAMH11107.9°109.5°
CAOCAMH12107.9°109.5°
CAONBFCAC111.1°111.0°
CAONBFCAN107.1°111.3°
NBFCAOH9109.3°109.4°
NBFCAOH10109.3°109.5°
CAMCBECAQ105.2°109.5°
CAMCBECAL113.0°109.1°
CBECAMH11107.9°109.5°
CBECAMH12107.8°109.5°
CAMCBEH13110.4°109.5°
CACNBFCAN109.7°111.0°
NBFCACH6109.5°109.4°
NBFCACH7109.4°109.5°
NBFCACH8109.5°109.4°
NBFCANCAL109.7°109.5°
NBFCANH3109.4°109.4°
NBFCANH4109.4°109.5°
CAQCBECAL106.8°109.6°
CBECAQNBG119.8°109.4°
CAQCBEH13110.7°109.5°
CBECAQH14106.8°109.5°
CBECAQH15106.8°109.5°
CBECALCAN114.4°109.4°
CBECALH1108.2°109.5°
CBECALH2108.2°109.5°
CALCBEH13110.5°109.6°
CANCALH1108.2°109.5°
CANCALH2108.2°109.5°
CALCANH3109.4°109.4°
CALCANH4109.4°109.5°
CAQNBGC4117.8°125.3°
CAQNBGNAT129.9°125.3°
NBGCAQH14106.8°109.4°
NBGCAQH15106.8°109.5°
C2N3C4119.6°120.7°
N3C2N1121.8°122.7°
N3C2H16119.1°118.6°
N3C4NBG131.4°134.5°
N3C4C5121.1°118.6°
C2N1C6121.3°121.1°
N1C2H16119.1°118.6°
C4NBGNAT112.3°109.4°
NBGC4C5107.4°106.9°
NBGNATCAY109.3°109.9°
C4C5C6117.6°118.6°
C4C5CAY103.4°106.4°
CAHCAFCAW120.7°120.8°
CAFCAHCAZ120.0°120.0°
CAHCAFH20119.6°119.6°
CAFCAHH21120.0°120.0°
CAFCAWCAY119.5°119.7°
CAFCAWCAK119.2°120.6°
CAWCAFH20119.7°119.6°
NATCAYC5107.6°107.4°
NATCAYCAW127.7°126.3°
N1C6C5118.6°118.3°
N1C6NAD118.1°120.8°
C6C5CAY139.0°135.0°
C5C6NAD123.3°120.9°
C5CAYCAW124.7°126.3°
C6NADH17109.5°120.0°
C6NADH18109.5°120.0°
CAYCAWCAK121.3°119.7°
CAHCAZCAJ120.0°121.0°
CAHCAZCBA119.7°119.6°
CAZCAHH21120.0°120.0°
CAWCAKCBA120.0°119.5°
CAWCAKH19120.0°120.3°
CAJCAZCBA120.3°119.4°
CAZCAJCAV120.2°119.6°
CAZCAJH22119.9°120.3°
CAZCBACAK120.4°119.5°
CAZCBACAG119.3°119.5°
CAJCAVOAU122.2°119.7°
CAJCAVCAE119.2°120.7°
CAVCAJH22119.9°120.2°
CAACBDCAP111.4°109.5°
CAACBDCAB111.2°109.4°
CAACBDH27107.5°109.5°
CBDCAAH31109.5°109.4°
CBDCAAH32109.5°109.4°
CBDCAAH33109.4°109.5°
CAKCBACAG120.4°121.1°
CBACAKH19120.0°120.2°
CBACAGCAE120.6°120.0°
CBACAGH23119.7°120.0°
CBDCAPOAU108.7°109.5°
CAPCBDCAB111.6°109.5°
CBDCAPH25109.7°109.5°
CBDCAPH26109.7°109.4°
CAPCBDH27107.4°109.5°
CAPOAUCAV116.0°117.0°
OAUCAPH25109.7°109.5°
OAUCAPH26109.7°109.5°
CABCBDH27107.5°109.5°
CBDCABH28109.5°109.5°
CBDCABH29109.5°109.5°
CBDCABH30109.5°109.5°
OAUCAVCAE118.6°119.6°
CAVCAECAG120.5°120.9°
CAVCAEH24119.8°119.5°
CAECAGH23119.7°120.0°
CAGCAEH24119.7°119.6°
H1CALH2109.4°109.4°
H3CANH4109.5°109.5°
H6CACH7109.5°109.5°
H6CACH8109.5°109.5°
H7CACH8109.5°109.5°
H9CAOH10109.5°109.5°
H11CAMH12109.5°109.6°
H14CAQH15109.5°109.5°
H17NADH18109.4°120.0°
H25CAPH26109.5°109.5°
H28CABH29109.4°109.4°
H28CABH30109.5°109.5°
H29CABH30109.5°109.4°
H31CAAH32109.5°109.4°
H31CAAH33109.5°109.5°
H32CAAH33109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAMCAONBFH9120.1°120.0°
CAMCAONBFH10120.1°120.0°
CAOCAMCBEH11120.9°119.9°
CAOCAMCBEH12120.9°120.0°
CAMCAONBFCAC173.4°174.1°
CAMCAONBFCAN66.8°61.7°
CAOCAMCBECAQ147.5°177.6°
CAOCAMCBECAL31.3°57.6°
CAMCAOH9H10119.7°120.0°
CAOCAMH11H12117.1°120.1°
CAOCAMCBEH1393.0°62.3°
NBFCAOCAMCBE48.3°59.2°
CAONBFCACCAN118.2°124.3°
CAONBFCANCAL69.7°61.7°
CAONBFCANH3170.2°58.3°
CAONBFCANH450.3°178.2°
CAONBFCACH6180.0°175.8°
CAONBFCACH760.0°55.7°
CAONBFCACH860.0°64.3°
NBFCAOH9H10119.7°119.9°
NBFCAOCAMH11169.2°179.1°
NBFCAOCAMH1272.6°60.8°
CAMCBECAQCAL120.3°119.6°
CAMCBECAQH13119.3°120.1°
CAMCBECALH13124.3°119.9°
CAMCBECALCAN33.5°57.7°
CAMCBECAQNBG135.7°175.0°
CAMCBECALH1154.3°62.3°
CAMCBECALH287.2°177.7°
CBECAMCAOH9168.4°60.8°
CBECAMCAOH1071.8°179.2°
CBECAMH11H12117.1°120.1°
CAMCBECAQH1414.2°55.0°
CAMCBECAQH15102.9°65.0°
CACNBFCANCAL169.6°174.2°
CACNBFCANH349.6°65.9°
CACNBFCANH470.4°54.1°
NBFCACH6H7120.0°120.0°
NBFCACH6H8120.0°120.0°
NBFCACH7H8120.0°120.0°
CACNBFCAOH953.3°65.9°
CACNBFCAOH1066.5°54.1°
NBFCANCALCBE53.4°59.1°
NBFCANCALH3120.0°119.9°
NBFCANCALH4120.0°120.0°
NBFCANCALH1174.1°60.8°
NBFCANCALH267.4°179.2°
NBFCANH3H4119.9°120.0°
CANNBFCACH661.7°60.0°
CANNBFCACH7178.2°180.0°
CANNBFCACH858.2°60.0°
CANNBFCAOH9173.1°58.3°
CANNBFCAOH1053.3°178.2°
CAQCBECALH13120.5°120.2°
CAQCBECALCAN148.8°177.5°
CBECAQNBGH14121.5°120.0°
CBECAQNBGH15121.5°120.0°
CBECAQNBGC4152.4°90.0°
CBECAQNBGNAT30.1°89.7°
CAQCBECALH190.5°57.5°
CAQCBECALH228.0°62.5°
CAQCBECAMH1191.6°62.5°
CAQCBECAMH1226.6°57.6°
CBECAQH14H15115.3°120.1°
CBECALCANH1120.8°120.0°
CBECALCANH2120.7°120.0°
CALCBECAQNBG104.0°65.4°
CBECALH1H2117.7°120.1°
CBECALCANH3173.4°60.8°
CBECALCANH466.6°179.2°
CALCBECAMH11152.3°177.5°
CALCBECAMH1289.6°62.3°
CALCBECAQH14134.5°174.7°
CALCBECAQH1517.4°54.6°
CANCALH1H2117.8°120.0°
CALCANH3H4119.9°120.0°
CANCALCBEH1390.7°62.2°
CAQNBGC4N31.7°0.1°
CAQNBGC4NAT177.9°179.8°
CAQNBGC4C5178.7°180.0°
CAQNBGNATCAY178.0°180.0°
NBGCAQCBEH1316.4°54.9°
NBGCAQH14H15115.3°120.0°
N3C2N1H16180.0°180.0°
C2N3C4NBG179.6°180.0°
C2N3C4C50.1°0.0°
N3C2N1C60.5°0.0°
C4N3C2N10.2°0.0°
N3C4NBGC5179.7°179.9°
N3C4NBGNAT179.6°179.7°
N3C4C5C60.1°0.0°
N3C4C5CAY179.6°179.8°
C4N3C2H16179.7°180.0°
C2N1C6C50.4°0.0°
C2N1C6NAD179.4°180.0°
C4NBGNATCAY0.4°0.2°
NBGC4C5C6179.6°180.0°
NBGC4C5CAY0.7°0.1°
C4NBGCAQH1431.0°30.0°
C4NBGCAQH1586.1°150.0°
NATNBGC4C50.7°0.2°
NBGNATCAYC50.1°0.1°
NBGNATCAYCAW179.1°180.0°
NATNBGCAQH14151.5°150.3°
NATNBGCAQH1591.4°30.3°
C4C5CAYNAT0.5°0.0°
C4C5C6N10.1°0.0°
C4C5C6CAY179.6°179.8°
C4C5C6NAD179.0°180.0°
C4C5CAYCAW179.6°179.9°
CAHCAFCAWH20180.0°179.9°
CAHCAFCAWCAY179.4°179.9°
CAFCAHCAZH21180.0°179.9°
CAHCAFCAWCAK0.4°0.2°
CAFCAHCAZCAJ179.8°180.0°
CAFCAHCAZCBA1.0°0.2°
CAFCAWCAYNAT46.5°44.3°
CAFCAWCAYC5132.5°135.6°
CAFCAWCAYCAK179.0°179.7°
CAWCAFCAHCAZ0.4°0.0°
CAFCAWCAKCBA0.5°0.3°
CAFCAWCAKH19179.5°179.8°
CAWCAFCAHH21179.6°179.9°
NATCAYC5C6179.9°179.8°
NATCAYC5CAW179.1°179.9°
NATCAYCAWCAK132.5°135.4°
N1C6C5NAD178.9°180.0°
N1C6C5CAY179.7°179.8°
C6N1C2H16179.5°180.0°
N1C6NADH170.0°16.9°
N1C6NADH18120.0°163.2°
C6C5CAYCAW0.8°0.1°
C5C6NADH17179.0°163.2°
C5C6NADH1861.1°16.8°
CAYC5C6NAD1.3°0.2°
C5CAYCAWCAK48.5°44.7°
C6NADH17H18120.0°179.9°
CAYCAWCAKCBA179.5°180.0°
CAYCAWCAKH190.5°0.1°
CAYCAWCAFH200.6°0.0°
CAHCAZCAJCBA179.2°179.7°
CAHCAZCAJCAV179.8°180.0°
CAHCAZCBACAK0.9°0.2°
CAHCAZCBACAG179.7°179.7°
CAZCAHCAFH20179.6°180.0°
CAHCAZCAJH220.2°0.0°
CAWCAKCBACAZ0.1°0.1°
CAWCAKCBAH19180.0°179.9°
CAWCAKCBACAG179.5°180.0°
CAKCAWCAFH20179.6°179.7°
CAZCAJCAVH22180.0°180.0°
CAJCAZCBACAK179.9°179.9°
CAJCAZCBACAG0.5°0.0°
CAZCAJCAVOAU179.1°180.0°
CAZCAJCAVCAE0.9°0.5°
CAJCAZCAHH210.3°0.0°
CBACAZCAJCAV1.0°0.2°
CAZCBACAKCAG179.4°179.9°
CAZCBACAGCAE0.1°0.0°
CAZCBACAKH19179.9°180.0°
CBACAZCAHH21179.0°179.7°
CBACAZCAJH22179.1°179.8°
CAZCBACAGH23179.9°180.0°
CAJCAVOAUCAP16.5°180.0°
CAJCAVOAUCAE180.0°179.5°
CAJCAVCAECAG0.3°0.5°
CAJCAVCAEH24179.7°179.7°
CAACBDCAPCAB124.9°119.9°
CAACBDCAPH27117.5°120.0°
CAACBDCAPOAU167.2°175.0°
CAACBDCABH27117.4°120.0°
CAACBDCAPH2572.9°65.0°
CAACBDCAPH2647.4°55.0°
CAACBDCABH28180.0°60.0°
CAACBDCABH2960.0°60.1°
CAACBDCABH3060.0°180.0°
CBDCAAH31H32120.0°119.9°
CBDCAAH31H33120.0°120.1°
CBDCAAH32H33120.0°120.1°
CAKCBACAGCAE179.3°179.9°
CAKCBACAGH230.7°0.1°
CBACAGCAECAV0.2°0.2°
CBACAGCAEH23180.0°180.0°
CAGCBACAKH190.5°0.1°
CBACAGCAEH24179.8°180.0°
CBDCAPOAUH25119.9°120.0°
CBDCAPOAUH26119.8°119.9°
CAPCBDCABH27117.5°120.0°
CBDCAPOAUCAV158.5°180.0°
CBDCAPH25H26120.4°120.0°
CAPCBDCABH2854.9°60.0°
CAPCBDCABH2965.1°180.0°
CAPCBDCABH30174.9°60.0°
CAPCBDCAAH31180.0°60.1°
CAPCBDCAAH3260.0°180.0°
CAPCBDCAAH3360.0°60.0°
OAUCAPCBDCAB42.3°65.0°
CAPOAUCAVCAE163.5°0.5°
OAUCAPH25H26120.4°120.0°
OAUCAPCBDH2775.3°55.0°
CABCBDCAPH25162.2°55.0°
CABCBDCAPH2677.6°175.0°
CBDCABH28H29120.0°120.0°
CBDCABH28H30120.0°120.0°
CBDCABH29H30120.0°120.0°
CABCBDCAAH3154.8°180.0°
CABCBDCAAH3265.2°60.1°
CABCBDCAAH33174.8°60.0°
OAUCAVCAECAG179.7°180.0°
OAUCAVCAJH220.8°0.0°
OAUCAVCAEH240.3°0.3°
CAVOAUCAPH2538.6°60.0°
CAVOAUCAPH2681.7°60.1°
CAVCAECAGH24180.0°179.7°
CAECAVCAJH22179.1°179.5°
CAVCAECAGH23179.8°179.8°
H1CALCANH365.8°179.2°
H1CALCANH454.1°59.2°
H1CALCBEH1330.1°177.8°
H2CALCANH352.7°59.2°
H2CALCANH4172.6°60.8°
H2CALCBEH13148.6°57.8°
H6CACH7H8120.0°120.0°
H9CAOCAMH1170.7°59.1°
H9CAOCAMH1247.5°179.3°
H10CAOCAMH1149.1°60.9°
H10CAOCAMH12167.3°59.2°
H11CAMCBEH1327.9°57.6°
H12CAMCBEH13146.1°177.7°
H13CBECAQH14105.1°65.0°
H13CBECAQH15137.8°174.9°
H20CAFCAHH210.4°0.0°
H23CAGCAEH240.2°0.0°
H25CAPCBDH2744.6°175.0°
H26CAPCBDH27164.9°65.0°
H27CBDCABH2862.6°179.9°
H27CBDCABH29177.4°59.9°
H27CBDCABH3057.4°60.0°
H27CBDCAAH3162.5°60.0°
H27CBDCAAH32177.4°59.9°
H27CBDCAAH3357.5°180.0°
H28CABH29H30120.0°119.9°
H31CAAH32H33120.0°120.0°

222926

PDB entries from 2024-07-24

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