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1NR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAYCAXsing1.53Å1.51Å
CAXCAZsing1.53Å1.53Å
CAXCBAsing1.53Å1.52Å
CAXCAAsing1.51Å1.54Å
CAAOACdoub1.21Å1.23Å
CAANABsing1.35Å1.34Å
NABCADsing1.46Å1.48Å
CADCAEsing1.53Å1.55Å
CAECAFsing1.53Å1.56Å
CAFCAKsing1.53Å1.54Å
CAFCAGsing1.53Å1.56Å
CAKCAJsing1.53Å1.54Å
CAJNAIsing1.47Å1.49Å
CAGCAHsing1.53Å1.55Å
CAHNAIsing1.47Å1.50Å
NAIC6sing1.38Å1.37Å
C6N1doub1.33Å1.35ÅAromatic
C6C5sing1.41Å1.36ÅAromatic
N1C2sing1.32Å1.39ÅAromatic
C2N3doub1.31Å1.39ÅAromatic
N3C4sing1.35Å1.35ÅAromatic
C4CARsing1.40Å1.36ÅAromatic
C4C5doub1.40Å1.36ÅAromatic
CARCASdoub1.34Å1.34ÅAromatic
C5SATsing1.76Å1.69ÅAromatic
SATCASsing1.76Å1.61ÅAromatic
CASCAUsing1.47Å1.34Å
CAUOAVdoub1.22Å1.23Å
CAUNAWsing1.35Å1.34Å
CAYH1sing1.09Å1.10Å
CAYH2sing1.09Å1.10Å
CAYH3sing1.09Å1.10Å
CAZH4sing1.09Å1.10Å
CAZH5sing1.09Å1.10Å
CAZH6sing1.09Å1.10Å
CBAH7sing1.09Å1.10Å
CBAH8sing1.09Å1.10Å
CBAH9sing1.09Å1.10Å
NABH10sing0.97Å1.00Å
CADH11sing1.09Å1.10Å
CADH12sing1.09Å1.10Å
CAEH13sing1.09Å1.10Å
CAEH14sing1.09Å1.10Å
CAFH15sing1.09Å1.10Å
CAKH16sing1.09Å1.10Å
CAKH17sing1.09Å1.10Å
CAJH18sing1.09Å1.10Å
CAJH19sing1.09Å1.10Å
CAGH20sing1.09Å1.10Å
CAGH21sing1.09Å1.10Å
CAHH22sing1.09Å1.10Å
CAHH23sing1.09Å1.10Å
C2H24sing1.08Å1.08Å
CARH25sing1.08Å1.08Å
NAWH27sing0.97Å1.00Å
NAWH28sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAYCAXCAZ108.6°109.5°
CAYCAXCBA108.1°109.5°
CAYCAXCAA109.5°109.5°
CAXCAYH1109.5°109.5°
CAXCAYH2109.5°109.5°
CAXCAYH3109.5°109.5°
CAZCAXCBA109.1°109.5°
CAZCAXCAA109.7°109.5°
CAXCAZH4109.5°109.5°
CAXCAZH5109.5°109.5°
CAXCAZH6109.5°109.5°
CBACAXCAA111.8°109.4°
CAXCBAH7109.5°109.5°
CAXCBAH8109.5°109.5°
CAXCBAH9109.4°109.5°
CAXCAAOAC120.2°120.0°
CAXCAANAB116.8°120.0°
OACCAANAB123.0°120.0°
CAANABCAD122.0°120.0°
CAANABH10119.0°120.0°
NABCADCAE112.1°109.5°
CADNABH10119.0°120.0°
NABCADH11108.8°109.5°
NABCADH12108.8°109.5°
CADCAECAF112.7°109.5°
CAECADH11108.8°109.4°
CAECADH12108.8°109.5°
CADCAEH13108.6°109.4°
CADCAEH14108.6°109.5°
CAECAFCAK109.1°109.5°
CAECAFCAG111.9°109.5°
CAFCAEH13108.7°109.5°
CAFCAEH14108.7°109.5°
CAECAFH15107.9°109.5°
CAKCAFCAG111.8°109.2°
CAFCAKCAJ111.4°109.3°
CAKCAFH15108.1°109.5°
CAFCAKH16109.0°109.5°
CAFCAKH17109.0°109.5°
CAFCAGCAH110.9°109.3°
CAGCAFH15107.9°109.6°
CAFCAGH20109.1°109.5°
CAFCAGH21109.1°109.5°
CAKCAJNAI110.4°109.5°
CAJCAKH16109.0°109.5°
CAJCAKH17109.0°109.5°
CAKCAJH18109.2°109.5°
CAKCAJH19109.2°109.5°
CAJNAICAH114.9°111.2°
CAJNAIC6124.4°111.0°
NAICAJH18109.3°109.5°
NAICAJH19109.2°109.5°
CAGCAHNAI109.4°109.5°
CAHCAGH20109.1°109.5°
CAHCAGH21109.1°109.5°
CAGCAHH22109.5°109.5°
CAGCAHH23109.5°109.5°
CAHNAIC6120.7°111.0°
NAICAHH22109.5°109.4°
NAICAHH23109.5°109.4°
NAIC6N1115.8°120.6°
NAIC6C5124.7°120.5°
N1C6C5119.4°118.9°
C6N1C2121.5°120.8°
C6C5C4121.4°118.7°
C6C5SAT133.5°131.6°
N1C2N3117.0°122.7°
N1C2H24121.5°118.7°
C2N3C4121.5°121.1°
N3C2H24121.5°118.6°
N3C4CAR126.6°129.6°
N3C4C5119.3°117.8°
CARC4C5114.1°112.6°
C4CARCAS115.1°115.6°
C4CARH25122.4°122.2°
C4C5SAT105.1°109.7°
CARCASSAT108.1°110.6°
CARCASCAU127.6°124.7°
CASCARH25122.4°122.2°
C5SATCAS97.5°91.5°
SATCASCAU124.3°124.7°
CASCAUOAV119.8°120.0°
CASCAUNAW117.5°120.0°
OAVCAUNAW122.5°120.1°
CAUNAWH27120.0°120.0°
CAUNAWH28120.0°120.0°
H1CAYH2109.5°109.4°
H1CAYH3109.4°109.5°
H2CAYH3109.4°109.5°
H4CAZH5109.4°109.4°
H4CAZH6109.5°109.5°
H5CAZH6109.5°109.5°
H7CBAH8109.5°109.5°
H7CBAH9109.4°109.5°
H8CBAH9109.5°109.4°
H11CADH12109.5°109.5°
H13CAEH14109.5°109.5°
H16CAKH17109.5°109.5°
H18CAJH19109.5°109.4°
H20CAGH21109.4°109.6°
H22CAHH23109.4°109.4°
H27NAWH28120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAYCAXCAZCBA117.5°120.0°
CAYCAXCAZCAA119.6°120.0°
CAYCAXCBACAA120.6°120.0°
CAYCAXCAAOAC83.8°0.0°
CAYCAXCAANAB95.8°180.0°
CAXCAYH1H2120.1°120.0°
CAXCAYH1H3120.0°120.0°
CAXCAYH2H3120.0°120.1°
CAYCAXCAZH4180.0°60.0°
CAYCAXCAZH560.0°179.9°
CAYCAXCAZH660.0°60.0°
CAYCAXCBAH7180.0°60.0°
CAYCAXCBAH860.0°180.0°
CAYCAXCBAH960.0°60.1°
CAZCAXCBACAA121.6°120.0°
CAZCAXCAAOAC35.3°120.0°
CAZCAXCAANAB145.1°60.0°
CAZCAXCAYH1180.0°60.0°
CAZCAXCAYH260.0°180.0°
CAZCAXCAYH360.0°60.0°
CAXCAZH4H5120.0°120.0°
CAXCAZH4H6120.0°120.0°
CAXCAZH5H6120.0°120.0°
CAZCAXCBAH762.2°180.0°
CAZCAXCBAH857.8°60.0°
CAZCAXCBAH9177.9°60.0°
CBACAXCAAOAC156.4°120.0°
CBACAXCAANAB23.9°60.0°
CBACAXCAYH161.8°180.0°
CBACAXCAYH258.2°60.0°
CBACAXCAYH3178.2°60.0°
CBACAXCAZH462.5°60.0°
CBACAXCAZH5177.6°59.9°
CBACAXCAZH657.6°180.0°
CAXCBAH7H8120.0°120.0°
CAXCBAH7H9119.9°120.0°
CAXCBAH8H9120.0°120.0°
CAXCAAOACNAB179.6°180.0°
CAXCAANABCAD179.2°180.0°
CAACAXCAYH160.2°60.0°
CAACAXCAYH2179.8°60.0°
CAACAXCAYH359.8°180.0°
CAACAXCAZH460.3°180.0°
CAACAXCAZH559.6°60.0°
CAACAXCAZH6179.6°60.0°
CAACAXCBAH759.4°60.0°
CAACAXCBAH8179.4°60.0°
CAACAXCBAH960.5°180.0°
CAXCAANABH100.9°0.0°
OACCAANABCAD0.5°0.0°
OACCAANABH10179.5°179.9°
CAANABCADH10180.0°180.0°
CAANABCADCAE100.0°180.0°
CAANABCADH11139.6°60.0°
CAANABCADH1220.4°60.0°
NABCADCAEH11120.4°120.0°
NABCADCAEH12120.4°120.0°
NABCADCAECAF69.7°180.0°
NABCADH11H12118.8°120.0°
NABCADCAEH1350.8°60.0°
NABCADCAEH14169.8°60.0°
CADCAECAFH13120.5°119.9°
CADCAECAFH14120.5°120.0°
CADCAECAFCAK168.2°175.0°
CADCAECAFCAG67.5°65.4°
CAECADNABH1080.0°0.0°
CAECADH11H12118.8°120.0°
CADCAEH13H14118.5°120.0°
CADCAECAFH1551.0°54.9°
CAECAFCAKCAG124.3°119.8°
CAECAFCAKH15117.1°120.1°
CAECAFCAGH15118.6°120.2°
CAECAFCAKCAJ177.0°177.6°
CAECAFCAGCAH176.4°177.5°
CAFCAECADH11169.9°60.0°
CAFCAECADH1250.7°60.0°
CAFCAEH13H14118.6°120.1°
CAECAFCAKH1662.7°62.5°
CAECAFCAKH1756.7°57.6°
CAECAFCAGH2056.1°57.6°
CAECAFCAGH2163.4°62.5°
CAKCAFCAGH15118.7°119.9°
CAFCAKCAJH16120.3°119.9°
CAFCAKCAJH17120.3°120.0°
CAFCAKCAJNAI52.9°59.2°
CAKCAFCAGCAH53.6°57.7°
CAKCAFCAEH1347.8°55.1°
CAKCAFCAEH1471.3°65.0°
CAFCAKH16H17119.1°120.1°
CAFCAKCAJH1867.2°60.8°
CAFCAKCAJH19173.0°179.2°
CAKCAFCAGH2066.6°62.2°
CAKCAFCAGH21173.9°177.6°
CAGCAFCAKCAJ52.7°57.7°
CAFCAGCAHH20120.2°119.9°
CAFCAGCAHH21120.2°120.0°
CAFCAGCAHNAI54.3°59.2°
CAGCAFCAEH13172.0°174.7°
CAGCAFCAEH1452.9°54.7°
CAGCAFCAKH16173.0°177.6°
CAGCAFCAKH1767.6°62.3°
CAFCAGH20H21119.3°120.2°
CAFCAGCAHH22174.3°179.2°
CAFCAGCAHH2365.7°60.8°
CAKCAJNAIH18120.1°120.0°
CAKCAJNAIH19120.1°120.0°
CAKCAJNAICAH57.0°61.7°
CAKCAJNAIC6123.3°174.2°
CAJCAKCAFH1565.9°62.3°
CAJCAKH16H17119.1°120.1°
CAKCAJH18H19119.6°120.0°
CAJNAICAHCAG57.7°61.7°
CAJNAICAHC6179.7°124.0°
CAJNAIC6N1157.9°0.1°
CAJNAIC6C522.1°179.7°
NAICAJCAKH16173.2°179.1°
NAICAJCAKH1767.4°60.8°
NAICAJH18H19119.6°120.0°
CAJNAICAHH22177.7°178.2°
CAJNAICAHH2362.3°58.3°
CAGCAHNAIH22120.0°120.0°
CAGCAHNAIH23120.0°120.0°
CAGCAHNAIC6122.6°174.2°
CAHCAGCAFH1565.1°62.3°
CAHCAGH20H21119.4°120.1°
CAGCAHH22H23120.0°120.0°
CAHNAIC6N121.7°124.2°
CAHNAIC6C5158.2°56.1°
CAHNAICAJH1863.1°58.3°
CAHNAICAJH19177.2°178.2°
NAICAHCAGH2065.9°60.7°
NAICAHCAGH21174.5°179.2°
NAICAHH22H23120.0°119.9°
NAIC6N1C5179.9°179.7°
NAIC6N1C2179.7°179.9°
NAIC6C5C4179.7°179.8°
NAIC6C5SAT0.1°0.1°
C6NAICAJH18116.6°65.8°
C6NAICAJH193.2°54.2°
C6NAICAHH222.6°54.2°
C6NAICAHH23117.4°65.7°
C6N1C2N30.1°0.0°
N1C6C5C40.2°0.6°
N1C6C5SAT179.9°179.7°
C6N1C2H24179.9°179.9°
C5C6N1C20.2°0.3°
C6C5C4N30.0°0.5°
C6C5C4CAR179.9°179.7°
C6C5C4SAT179.7°179.8°
C6C5SATCAS180.0°179.5°
N1C2N3H24180.0°179.9°
N1C2N3C40.4°0.0°
C2N3C4CAR179.8°180.0°
C2N3C4C50.4°0.3°
N3C4CARC5179.9°179.7°
N3C4CARCAS180.0°180.0°
N3C4C5SAT179.7°179.7°
C4N3C2H24179.6°179.9°
N3C4CARH250.0°0.0°
C4CARCASH25180.0°180.0°
CARC4C5SAT0.2°0.0°
C4CARCASSAT0.4°0.5°
C4CARCASCAU178.8°180.0°
C5C4CARCAS0.1°0.3°
C4C5SATCAS0.4°0.3°
C5C4CARH25179.9°179.8°
CARCASSATC50.4°0.4°
CARCASSATCAU179.1°179.6°
CARCASCAUOAV171.0°0.0°
CARCASCAUNAW13.8°180.0°
C5SATCASCAU178.7°180.0°
SATCASCAUOAV10.0°179.5°
SATCASCAUNAW165.2°0.5°
SATCASCARH25179.6°179.6°
CASCAUOAVNAW174.9°180.0°
CAUCASCARH251.3°0.0°
CASCAUNAWH27175.0°0.0°
CASCAUNAWH284.9°180.0°
OAVCAUNAWH270.0°180.0°
OAVCAUNAWH28180.0°0.0°
CAUNAWH27H28180.0°180.0°
H1CAYH2H3119.9°119.9°
H4CAZH5H6120.0°120.0°
H7CBAH8H9120.0°120.0°
H10NABCADH1140.4°120.0°
H10NABCADH12159.6°120.0°
H11CADCAEH1369.6°180.0°
H11CADCAEH1449.4°60.0°
H12CADCAEH13171.2°60.0°
H12CADCAEH1469.8°180.0°
H13CAECAFH1569.5°65.0°
H14CAECAFH15171.5°174.9°
H15CAFCAKH1654.4°57.6°
H15CAFCAKH17173.8°177.7°
H15CAFCAGH20174.7°177.8°
H15CAFCAGH2155.2°57.7°
H16CAKCAJH1853.1°59.1°
H16CAKCAJH1966.7°60.9°
H17CAKCAJH18172.4°179.2°
H17CAKCAJH1952.7°59.2°
H20CAGCAHH2254.1°59.3°
H20CAGCAHH23174.1°179.3°
H21CAGCAHH2265.5°60.8°
H21CAGCAHH2354.5°59.1°

222415

PDB entries from 2024-07-10

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