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1NQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAJNASsing1.46Å1.47Å
CAJCAAsing1.53Å1.53Å
NASCAXsing1.35Å1.33Å
CAGCAHsing1.37Å1.35ÅAromatic
CAGCAZdoub1.37Å1.34ÅAromatic
CAHCBAdoub1.37Å1.34ÅAromatic
CAXCAZsing1.47Å1.53Å
CAXOADdoub1.22Å1.23Å
CAZSAUsing1.76Å1.68ÅAromatic
CBASAUsing1.76Å1.68ÅAromatic
CBACAYsing1.47Å1.53Å
NATCAKsing1.47Å1.47Å
NATCAYsing1.35Å1.33Å
CAKCALsing1.53Å1.53Å
CAYOAEdoub1.22Å1.23Å
CALCBFsing1.53Å1.53Å
CBFCANsing1.53Å1.53Å
CBFCAMsing1.53Å1.53Å
CANCAPsing1.53Å1.53Å
CAMCAOsing1.53Å1.53Å
CAPNBGsing1.47Å1.48Å
CAONBGsing1.47Å1.48Å
NBGC6sing1.38Å1.40Å
SAVC5sing1.76Å1.68ÅAromatic
SAVCBBsing1.76Å1.67ÅAromatic
OACCAWdoub1.22Å1.23Å
C6C5doub1.41Å1.39ÅAromatic
C6N1sing1.33Å1.34ÅAromatic
C5C4sing1.40Å1.40ÅAromatic
CAWCBBsing1.47Å1.53Å
CAWNABsing1.35Å1.33Å
CBBCAIdoub1.34Å1.34ÅAromatic
N1C2doub1.32Å1.32ÅAromatic
C4CAIsing1.40Å1.35ÅAromatic
C4N3doub1.35Å1.34ÅAromatic
C2N3sing1.31Å1.32ÅAromatic
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CAJH4sing1.09Å1.10Å
CAJH5sing1.09Å1.10Å
NASH6sing0.97Å1.00Å
CAGH7sing1.08Å1.08Å
CAHH8sing1.08Å1.08Å
NATH9sing0.97Å1.00Å
CAKH10sing1.09Å1.10Å
CAKH11sing1.09Å1.10Å
CALH12sing1.09Å1.10Å
CALH13sing1.09Å1.10Å
CBFH14sing1.09Å1.10Å
CANH15sing1.09Å1.10Å
CANH16sing1.09Å1.10Å
CAPH17sing1.09Å1.10Å
CAPH18sing1.09Å1.10Å
CAMH19sing1.09Å1.10Å
CAMH20sing1.09Å1.10Å
CAOH21sing1.09Å1.10Å
CAOH22sing1.09Å1.10Å
C2H23sing1.08Å1.08Å
CAIH24sing1.08Å1.08Å
NABH25sing0.97Å1.00Å
NABH26sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NASCAJCAA109.5°109.5°
CAJNASCAX122.0°120.0°
NASCAJH4109.5°109.5°
NASCAJH5109.5°109.5°
CAJNASH6119.0°120.0°
CAJCAAH1109.5°109.5°
CAJCAAH2109.5°109.5°
CAJCAAH3109.5°109.5°
CAACAJH4109.5°109.5°
CAACAJH5109.5°109.5°
NASCAXCAZ114.9°120.0°
NASCAXOAD124.1°120.0°
CAXNASH6119.0°120.0°
CAHCAGCAZ114.1°114.7°
CAGCAHCBA114.2°114.7°
CAHCAGH7122.9°122.6°
CAGCAHH8122.9°122.6°
CAGCAZCAX125.5°125.1°
CAGCAZSAU109.1°109.7°
CAZCAGH7123.0°122.7°
CAHCBASAU109.0°109.7°
CAHCBACAY125.5°125.1°
CBACAHH8122.9°122.7°
CAZCAXOAD121.0°120.0°
CAXCAZSAU125.5°125.2°
CAZSAUCBA93.6°91.2°
SAUCBACAY125.5°125.2°
CBACAYNAT115.0°120.0°
CBACAYOAE121.0°120.0°
CAKNATCAY122.0°120.0°
NATCAKCAL109.5°109.5°
CAKNATH9119.0°119.9°
NATCAKH10109.5°109.5°
NATCAKH11109.5°109.5°
NATCAYOAE124.0°120.0°
CAYNATH9119.0°120.1°
CAKCALCBF111.0°109.5°
CALCAKH10109.4°109.5°
CALCAKH11109.4°109.5°
CAKCALH12109.1°109.5°
CAKCALH13109.1°109.5°
CALCBFCAN109.5°109.5°
CALCBFCAM109.5°109.5°
CBFCALH12109.1°109.4°
CBFCALH13109.1°109.5°
CALCBFH14109.4°109.5°
CANCBFCAM109.5°109.2°
CBFCANCAP111.0°109.3°
CANCBFH14109.4°109.6°
CBFCANH15109.1°109.5°
CBFCANH16109.1°109.5°
CBFCAMCAO111.1°109.2°
CAMCBFH14109.4°109.5°
CBFCAMH19109.1°109.5°
CBFCAMH20109.1°109.6°
CANCAPNBG109.5°109.5°
CAPCANH15109.1°109.5°
CAPCANH16109.1°109.5°
CANCAPH17109.5°109.4°
CANCAPH18109.5°109.5°
CAMCAONBG109.5°109.6°
CAOCAMH19109.1°109.5°
CAOCAMH20109.1°109.5°
CAMCAOH21109.5°109.5°
CAMCAOH22109.5°109.5°
CAPNBGCAO120.0°111.2°
CAPNBGC6120.1°111.0°
NBGCAPH17109.5°109.5°
NBGCAPH18109.5°109.5°
CAONBGC6120.0°111.0°
NBGCAOH21109.5°109.5°
NBGCAOH22109.5°109.5°
NBGC6C5120.4°120.6°
NBGC6N1120.5°120.5°
C5SAVCBB95.1°91.6°
SAVC5C6133.2°131.6°
SAVC5C4107.2°109.6°
SAVCBBCAW125.4°124.7°
SAVCBBCAI109.2°110.6°
OACCAWCBB121.0°120.0°
OACCAWNAB124.0°120.0°
C5C6N1119.0°118.9°
C6C5C4119.6°118.8°
C6N1C2120.4°120.8°
C5C4CAI113.6°112.7°
C5C4N3117.3°117.7°
CBBCAWNAB115.0°120.0°
CAWCBBCAI125.4°124.7°
CAWNABH25120.0°120.0°
CAWNABH26120.0°120.0°
CBBCAIC4114.9°115.5°
CBBCAIH24122.5°122.2°
N1C2N3122.0°122.6°
N1C2H23119.0°118.7°
CAIC4N3129.1°129.5°
C4CAIH24122.5°122.2°
C4N3C2121.7°121.1°
N3C2H23119.0°118.7°
H1CAAH2109.5°109.5°
H1CAAH3109.5°109.4°
H2CAAH3109.5°109.5°
H4CAJH5109.5°109.4°
H10CAKH11109.5°109.4°
H12CALH13109.5°109.5°
H15CANH16109.5°109.5°
H17CAPH18109.4°109.5°
H19CAMH20109.5°109.6°
H21CAOH22109.5°109.4°
H25NABH26120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NASCAJCAAH4120.0°120.0°
NASCAJCAAH5120.0°120.0°
CAJNASCAXH6180.0°180.0°
CAJNASCAXCAZ180.0°180.0°
CAJNASCAXOAD0.1°0.0°
NASCAJCAAH1180.0°180.0°
NASCAJCAAH260.0°60.0°
NASCAJCAAH360.0°60.0°
NASCAJH4H5120.0°120.0°
CAACAJNASCAX5.5°180.0°
CAJCAAH1H2120.0°120.0°
CAJCAAH1H3120.0°120.0°
CAJCAAH2H3120.0°120.0°
CAACAJH4H5120.0°120.0°
CAACAJNASH6174.5°0.0°
NASCAXCAZCAG5.9°179.7°
NASCAXCAZOAD180.0°180.0°
NASCAXCAZSAU174.1°0.1°
CAXNASCAJH4125.5°60.0°
CAXNASCAJH5114.6°60.0°
CAHCAGCAZH7180.0°179.9°
CAGCAHCBAH8180.0°179.9°
CAHCAGCAZCAX180.0°180.0°
CAHCAGCAZSAU0.0°0.3°
CAGCAHCBASAU0.0°0.1°
CAGCAHCBACAY180.0°180.0°
CAZCAGCAHCBA0.0°0.1°
CAGCAZCAXSAU180.0°179.7°
CAGCAZCAXOAD174.2°0.3°
CAGCAZSAUCBA0.0°0.3°
CAZCAGCAHH8180.0°180.0°
CAHCBASAUCAZ0.0°0.2°
CAHCBASAUCAY180.0°179.8°
CAHCBACAYNAT7.7°180.0°
CAHCBACAYOAE172.3°0.0°
CBACAHCAGH7180.0°180.0°
CAXCAZSAUCBA180.0°180.0°
CAZCAXNASH60.0°0.0°
CAXCAZCAGH70.0°0.1°
OADCAXCAZSAU5.8°180.0°
OADCAXNASH6179.9°180.0°
CAZSAUCBACAY180.0°179.9°
SAUCAZCAGH7180.0°179.8°
SAUCBACAYNAT172.3°0.2°
SAUCBACAYOAE7.7°179.8°
SAUCBACAHH8180.0°179.8°
CBACAYNATCAK180.0°180.0°
CBACAYNATOAE180.0°180.0°
CAYCBACAHH80.0°0.1°
CBACAYNATH90.1°0.0°
CAKNATCAYH9180.0°180.0°
NATCAKCALH10120.0°120.0°
NATCAKCALH11120.0°120.0°
CAKNATCAYOAE0.0°0.0°
NATCAKCALCBF88.4°180.0°
NATCAKH10H11120.0°120.0°
NATCAKCALH1231.9°60.0°
NATCAKCALH13151.4°60.0°
CAYNATCAKCAL90.4°180.0°
CAYNATCAKH10149.6°60.0°
CAYNATCAKH1129.5°60.0°
CAKCALCBFH12120.2°120.0°
CAKCALCBFH13120.3°120.0°
CAKCALCBFCAN172.5°175.0°
CAKCALCBFCAM52.4°65.3°
CALCAKNATH989.6°0.0°
CALCAKH10H11120.0°120.0°
CAKCALH12H13119.3°120.0°
CAKCALCBFH1467.5°54.8°
OAECAYNATH9180.0°180.0°
CALCBFCANCAM120.1°119.9°
CALCBFCANH14119.9°120.2°
CALCBFCAMH14119.9°120.1°
CALCBFCANCAP179.7°177.6°
CALCBFCAMCAO179.7°177.5°
CBFCALCAKH10151.6°60.0°
CBFCALCAKH1131.6°60.0°
CBFCALH12H13119.3°120.0°
CALCBFCANH1560.0°62.6°
CALCBFCANH1659.5°57.6°
CALCBFCAMH1959.5°57.7°
CALCBFCAMH2060.0°62.5°
CANCBFCAMH14120.0°120.0°
CBFCANCAPH15120.2°119.9°
CBFCANCAPH16120.2°120.0°
CANCBFCAMCAO59.6°57.6°
CBFCANCAPNBG52.1°59.2°
CANCBFCALH1267.2°55.0°
CANCBFCALH1352.3°65.0°
CBFCANH15H16119.3°120.1°
CBFCANCAPH1768.0°60.8°
CBFCANCAPH18172.1°179.2°
CANCBFCAMH1960.6°62.2°
CANCBFCAMH20179.9°177.6°
CAMCBFCANCAP59.6°57.7°
CBFCAMCAOH19120.2°119.9°
CBFCAMCAOH20120.2°120.0°
CBFCAMCAONBG52.0°59.2°
CAMCBFCALH12172.6°174.7°
CAMCBFCALH1367.8°54.7°
CAMCBFCANH15179.9°177.6°
CAMCBFCANH1660.6°62.3°
CBFCAMH19H20119.3°120.2°
CBFCAMCAOH21172.0°179.2°
CBFCAMCAOH2268.0°60.9°
CANCAPNBGH17120.0°120.0°
CANCAPNBGH18120.0°120.0°
CANCAPNBGCAO49.0°61.8°
CANCAPNBGC6131.0°174.2°
CAPCANCBFH1460.3°62.3°
CAPCANH15H16119.3°120.1°
CANCAPH17H18120.0°120.0°
CAMCAONBGCAP48.9°61.8°
CAMCAONBGH21120.0°120.0°
CAMCAONBGH22120.0°120.1°
CAMCAONBGC6131.0°174.1°
CAOCAMCBFH1460.3°62.3°
CAOCAMH19H20119.3°120.1°
CAMCAOH21H22120.0°119.9°
CAPNBGCAOC6179.9°124.1°
CAPNBGC6C526.0°179.9°
CAPNBGC6N1154.0°0.3°
NBGCAPCANH15172.3°179.1°
NBGCAPCANH1668.1°60.8°
NBGCAPH17H18120.0°120.0°
CAPNBGCAOH21168.9°178.2°
CAPNBGCAOH2271.1°58.3°
CAONBGC6C5154.0°55.8°
CAONBGC6N126.1°124.5°
CAONBGCAPH1771.1°58.2°
CAONBGCAPH18169.0°178.2°
NBGCAOCAMH1968.2°60.7°
NBGCAOCAMH20172.2°179.1°
NBGCAOH21H22120.0°120.0°
NBGC6C5SAV0.0°0.1°
NBGC6C5N1180.0°179.8°
NBGC6C5C4180.0°179.8°
NBGC6N1C2180.0°180.0°
C6NBGCAPH17109.0°65.8°
C6NBGCAPH1811.0°54.2°
C6NBGCAOH2111.0°54.1°
C6NBGCAOH22109.0°65.8°
SAVC5C6C4180.0°179.9°
SAVC5C6N1180.0°179.7°
C5SAVCBBCAW180.0°180.0°
C5SAVCBBCAI0.0°0.5°
SAVC5C4CAI0.0°0.1°
SAVC5C4N3180.0°179.7°
SAVCBBCAWOAC9.2°180.0°
CBBSAVC5C6180.0°179.5°
CBBSAVC5C40.0°0.4°
SAVCBBCAWCAI180.0°179.4°
SAVCBBCAWNAB170.7°0.0°
SAVCBBCAIC40.0°0.5°
SAVCBBCAIH24180.0°179.5°
OACCAWCBBNAB180.0°180.0°
OACCAWCBBCAI170.8°0.6°
OACCAWNABH250.0°180.0°
OACCAWNABH26180.0°0.0°
C5C6N1C20.0°0.2°
C6C5C4CAI180.0°179.7°
C6C5C4N30.0°0.5°
N1C6C5C40.0°0.5°
C6N1C2N30.0°0.1°
C6N1C2H23180.0°179.9°
C5C4CAICBB0.0°0.2°
C5C4CAIN3180.0°179.8°
C5C4N3C20.1°0.2°
C5C4CAIH24180.0°179.8°
CAWCBBCAIC4180.0°180.0°
CAWCBBCAIH240.0°0.0°
CBBCAWNABH25180.0°0.0°
CBBCAWNABH260.0°180.0°
NABCAWCBBCAI9.3°179.4°
CAWNABH25H26180.0°180.0°
CBBCAIC4H24180.0°180.0°
CBBCAIC4N3179.9°180.0°
N1C2N3C40.1°0.1°
N1C2N3H23180.0°179.9°
CAIC4N3C2180.0°180.0°
C4N3C2H23180.0°180.0°
N3C4CAIH240.0°0.0°
H1CAAH2H3120.0°120.0°
H1CAACAJH460.0°60.0°
H1CAACAJH560.0°60.0°
H2CAACAJH4180.0°60.1°
H2CAACAJH560.0°180.0°
H3CAACAJH460.0°179.9°
H3CAACAJH5180.0°60.0°
H4CAJNASH654.5°120.1°
H5CAJNASH665.4°120.0°
H7CAGCAHH80.0°0.1°
H9NATCAKH1030.4°120.0°
H9NATCAKH11150.4°120.0°
H10CAKCALH1288.1°179.9°
H10CAKCALH1331.4°60.1°
H11CAKCALH12151.9°60.0°
H11CAKCALH1388.6°180.0°
H12CALCBFH1452.7°65.2°
H13CALCBFH14172.2°174.8°
H14CBFCANH1559.9°57.6°
H14CBFCANH16179.5°177.8°
H14CBFCAMH19179.4°177.8°
H14CBFCAMH2059.9°57.6°
H15CANCAPH1752.3°59.1°
H15CANCAPH1867.7°60.8°
H16CANCAPH17171.8°179.2°
H16CANCAPH1851.9°59.3°
H19CAMCAOH2151.8°59.3°
H19CAMCAOH22171.8°179.2°
H20CAMCAOH2167.8°60.8°
H20CAMCAOH2252.2°59.1°

222415

PDB entries from 2024-07-10

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