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AYB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C4C5doub1.41Å1.39ÅAromatic
C4N3sing1.33Å1.34ÅAromatic
C4N9sing1.37Å1.33ÅAromatic
C5C6sing1.41Å1.39ÅAromatic
C5N7sing1.35Å1.33ÅAromatic
C6N1doub1.33Å1.34ÅAromatic
C6N6sing1.38Å1.33Å
C8N9sing1.36Å1.33ÅAromatic
C8N7doub1.30Å1.33ÅAromatic
N1C2sing1.32Å1.32ÅAromatic
N3C2doub1.32Å1.32ÅAromatic
CAACAJsing1.53Å1.39Å
CAJCAOsing1.53Å1.39Å
CAOOAWsing1.45Å1.43Å
OAWCBAsing1.35Å1.36Å
CBAOADdoub1.22Å1.23Å
CBANAVsing1.35Å1.33Å
NAVCAPsing1.46Å1.47Å
CAPCAMsing1.53Å1.53Å
CAMCANsing1.53Å1.53Å
CANCBsing1.53Å1.53Å
CBCAsing1.53Å1.53Å
CANsing1.47Å1.47Å
CACsing1.51Å1.53Å
COdoub1.21Å1.23Å
COAYsing1.34Å1.36Å
OAYPBLsing1.61Å1.61Å
PBLOAIdoub1.48Å1.48Å
PBLOAFsing1.61Å1.61Å
PBLO5'sing1.61Å1.61Å
O5'C5'sing1.43Å1.43Å
C5'C4'sing1.53Å1.53Å
C4'O4'sing1.44Å1.44Å
C4'C3'sing1.54Å1.53Å
O4'C1'sing1.44Å1.44Å
C3'O3'sing1.43Å1.43Å
C3'C2'sing1.55Å1.53Å
C2'O2'sing1.43Å1.43Å
C2'C1'sing1.55Å1.53Å
C1'N9sing1.47Å1.48Å
C8H8sing1.08Å1.08Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CAJHAJsing1.09Å1.10Å
CAJHAJAsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
NAVHNAVsing0.97Å1.00Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
CAMHAMsing1.09Å1.10Å
CAMHAMAsing1.09Å1.10Å
CANHANsing1.09Å1.10Å
CANHANAsing1.09Å1.10Å
CBHBsing1.09Å1.10Å
CBHBAsing1.09Å1.10Å
CAHAsing1.09Å1.10Å
NHNsing1.01Å1.00Å
NHNAsing1.01Å1.00Å
OAFHOAFsing0.97Å0.95Å
C5'H5'sing1.09Å1.10Å
C5'H5'Asing1.09Å1.10Å
C4'H4'sing1.09Å1.10Å
C3'H3'sing1.09Å1.10Å
O3'HO3'sing0.97Å0.95Å
C2'H2'sing1.09Å1.10Å
O2'HO2'sing0.97Å0.95Å
C1'H1'sing1.09Å1.10Å
C2H2sing1.08Å1.08Å
N6HN6sing0.97Å1.00Å
N6HN6Asing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C5C4N3119.5°119.1°
C5C4N9106.9°106.0°
C4C5C6118.2°118.2°
C4C5N7107.5°107.1°
N3C4N9133.5°134.9°
C4N3C2120.7°120.7°
C4N9C8108.2°107.5°
C4N9C1'125.4°126.3°
C6C5N7134.3°134.7°
C5C6N1119.1°118.4°
C5C6N6120.3°120.8°
C5N7C8107.8°109.4°
N1C6N6120.6°120.8°
C6N1C2121.0°121.2°
C6N6HN6109.5°120.0°
C6N6HN6A109.5°120.1°
N9C8N7109.5°110.0°
C8N9C1'126.3°126.2°
N9C8H8125.2°125.0°
N7C8H8125.2°125.0°
N1C2N3121.5°122.4°
N1C2H2119.2°118.8°
N3C2H2119.2°118.8°
CAACAJCAO119.8°109.5°
CAJCAAHAA109.5°109.5°
CAJCAAHAAA109.4°109.4°
CAJCAAHAAB109.5°109.5°
CAACAJHAJ106.1°109.5°
CAACAJHAJA103.8°109.5°
CAJCAOOAW109.9°109.5°
CAOCAJHAJ106.2°109.4°
CAOCAJHAJA103.7°109.5°
CAJCAOHAO109.4°109.4°
CAJCAOHAOA109.3°109.5°
CAOOAWCBA109.5°117.1°
OAWCAOHAO109.3°109.5°
OAWCAOHAOA109.2°109.5°
OAWCBAOAD118.7°119.9°
OAWCBANAV118.9°120.0°
OADCBANAV122.4°120.0°
CBANAVCAP122.8°120.0°
CBANAVHNAV118.6°120.0°
NAVCAPCAM109.1°109.5°
CAPNAVHNAV118.6°120.0°
NAVCAPHAP109.6°109.5°
NAVCAPHAPA109.7°109.5°
CAPCAMCAN110.1°109.5°
CAMCAPHAP109.6°109.4°
CAMCAPHAPA109.7°109.4°
CAPCAMHAM109.3°109.4°
CAPCAMHAMA109.1°109.4°
CAMCANCB114.2°109.4°
CANCAMHAM109.3°109.5°
CANCAMHAMA109.2°109.5°
CAMCANHAN107.9°109.4°
CAMCANHANA106.9°109.5°
CANCBCA112.1°109.5°
CBCANHAN107.9°109.5°
CBCANHANA106.8°109.5°
CANCBHB108.6°109.5°
CANCBHBA108.0°109.5°
CBCAN110.0°109.5°
CBCAC110.8°109.5°
CACBHB108.6°109.5°
CACBHBA108.0°109.5°
CBCAHA108.3°109.5°
NCAC109.7°109.5°
NCAHA109.5°109.5°
CANHN109.5°111.0°
CANHNA109.5°111.0°
CACO120.5°120.0°
CACOAY115.0°120.0°
CCAHA108.5°109.4°
OCOAY124.5°120.0°
COAYPBL110.9°117.0°
OAYPBLOAI109.8°109.4°
OAYPBLOAF119.5°109.5°
OAYPBLO5'99.2°109.5°
OAIPBLOAF119.9°109.5°
OAIPBLO5'98.8°109.4°
OAFPBLO5'104.6°109.5°
PBLOAFHOAF109.5°114.0°
PBLO5'C5'119.2°123.0°
O5'C5'C4'110.3°109.5°
O5'C5'H5'109.2°109.5°
O5'C5'H5'A109.0°109.4°
C5'C4'O4'112.9°109.9°
C5'C4'C3'110.8°109.9°
C4'C5'H5'109.2°109.5°
C4'C5'H5'A109.0°109.5°
C5'C4'H4'104.1°109.9°
O4'C4'C3'102.0°107.3°
C4'O4'C1'106.8°107.0°
O4'C4'H4'112.6°109.9°
C4'C3'O3'108.8°110.5°
C4'C3'C2'95.7°104.2°
C3'C4'H4'114.7°109.9°
C4'C3'H3'118.8°110.5°
O4'C1'C2'105.4°103.5°
O4'C1'N9108.1°110.6°
O4'C1'H1'113.7°110.6°
O3'C3'C2'111.0°110.5°
O3'C3'H3'105.4°110.4°
C3'O3'HO3'109.5°114.0°
C3'C2'O2'110.2°110.9°
C3'C2'C1'100.5°102.1°
C2'C3'H3'116.9°110.6°
C3'C2'H2'114.3°110.9°
O2'C2'C1'108.3°110.9°
O2'C2'H2'107.3°110.8°
C2'O2'HO2'109.5°113.9°
C2'C1'N9111.4°110.6°
C1'C2'H2'116.1°110.9°
C2'C1'H1'110.4°110.6°
N9C1'H1'107.8°110.7°
HAACAAHAAA109.5°109.5°
HAACAAHAAB109.5°109.5°
HAAACAAHAAB109.5°109.5°
HAJCAJHAJA118.0°109.4°
HAOCAOHAOA109.8°109.4°
HAPCAPHAPA109.2°109.5°
HAMCAMHAMA109.9°109.5°
HANCANHANA113.2°109.5°
HBCBHBA111.6°109.5°
HNNHNA109.4°111.0°
H5'C5'H5'A110.1°109.5°
HN6N6HN6A109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C5C4N3N9179.4°179.7°
C4C5C6N7179.5°179.9°
C4C5C6N10.1°0.1°
C4C5C6N6179.2°180.0°
C5C4N9C80.3°0.0°
C4C5N7C80.0°0.4°
C5C4N3C20.1°0.1°
C5C4N9C1'177.4°180.0°
N3C4C5C60.1°0.1°
N3C4C5N7179.7°180.0°
N3C4N9C8179.7°179.7°
C4N3C2N10.0°0.1°
N3C4N9C1'2.0°0.3°
C4N3C2H2180.0°180.0°
N9C4C5C6179.4°179.7°
N9C4C5N70.2°0.2°
C4N9C8C1'177.6°180.0°
C4N9C8N70.3°0.3°
N9C4N3C2179.3°179.6°
C4N9C1'O4'159.5°156.5°
C4N9C1'C2'85.2°89.4°
C4N9C8H8179.7°180.0°
C4N9C1'H1'36.2°33.5°
C5C6N1N6179.3°180.0°
C6C5N7C8179.5°179.5°
C5C6N1C20.1°0.1°
C5C6N6HN6136.6°0.0°
C5C6N6HN6A16.6°179.9°
N7C5C6N1179.6°180.0°
N7C5C6N60.3°0.1°
C5N7C8N90.1°0.4°
C5N7C8H8179.8°179.9°
C6N1C2N30.0°0.1°
C6N1C2H2180.0°180.0°
N1C6N6HN642.7°180.0°
N1C6N6HN6A162.7°0.0°
N6C6N1C2179.2°180.0°
C6N6HN6HN6A120.0°179.9°
N9C8N7H8180.0°179.7°
C8N9C1'O4'17.8°23.5°
C8N9C1'C2'97.5°90.6°
C8N9C1'H1'141.1°146.5°
N7C8N9C1'177.4°179.7°
N1C2N3H2180.0°179.9°
CAACAJCAOHAJ120.0°120.0°
CAACAJCAOHAJA115.0°120.0°
CAACAJCAOOAW98.1°180.0°
CAJCAAHAAHAAA120.0°120.0°
CAJCAAHAAHAAB120.0°120.0°
CAJCAAHAAAHAAB120.0°120.0°
CAACAJHAJHAJA115.7°120.0°
CAACAJCAOHAO141.9°60.0°
CAACAJCAOHAOA21.7°60.0°
CAJCAOOAWHAO120.0°120.0°
CAJCAOOAWHAOA119.8°120.0°
CAJCAOOAWCBA173.5°180.0°
CAOCAJCAAHAA32.7°180.0°
CAOCAJCAAHAAA152.7°60.0°
CAOCAJCAAHAAB87.3°60.0°
CAOCAJHAJHAJA115.7°120.0°
CAJCAOHAOHAOA119.9°120.0°
CAOOAWCBAOAD1.5°0.0°
CAOOAWCBANAV179.4°180.0°
OAWCAOCAJHAJ21.9°60.0°
OAWCAOCAJHAJA146.9°60.0°
OAWCAOHAOHAOA119.8°120.0°
OAWCBAOADNAV177.8°180.0°
OAWCBANAVCAP0.4°180.0°
CBAOAWCAOHAO66.5°60.0°
CBAOAWCAOHAOA53.7°60.0°
OAWCBANAVHNAV179.6°0.0°
OADCBANAVCAP177.4°0.0°
OADCBANAVHNAV2.6°180.0°
CBANAVCAPHNAV180.0°180.0°
CBANAVCAPCAM178.1°180.0°
CBANAVCAPHAP58.1°60.0°
CBANAVCAPHAPA61.8°60.0°
NAVCAPCAMHAP120.0°120.0°
NAVCAPCAMHAPA120.1°120.0°
NAVCAPCAMCAN104.5°180.0°
NAVCAPHAPHAPA120.2°120.1°
NAVCAPCAMHAM15.5°60.0°
NAVCAPCAMHAMA135.7°60.0°
CAPCAMCANHAM120.0°120.0°
CAPCAMCANHAMA119.8°120.0°
CAPCAMCANCB118.8°180.0°
CAMCAPNAVHNAV1.9°0.0°
CAMCAPHAPHAPA120.2°119.9°
CAPCAMHAMHAMA119.7°119.9°
CAPCAMCANHAN121.2°60.0°
CAPCAMCANHANA0.9°60.0°
CAMCANCBHAN120.0°119.9°
CAMCANCBHANA117.9°120.0°
CAMCANCBCA112.8°180.0°
CANCAMCAPHAP135.5°60.0°
CANCAMCAPHAPA15.6°60.0°
CANCAMHAMHAMA119.8°120.1°
CAMCANHANHANA118.0°120.0°
CAMCANCBHB7.2°60.0°
CAMCANCBHBA128.4°60.0°
CANCBCAHB120.0°120.0°
CANCBCAHBA118.8°120.0°
CANCBCAN37.8°65.0°
CANCBCAC159.3°175.0°
CBCANCAMHAM1.2°60.0°
CBCANCAMHAMA121.4°60.0°
CBCANHANHANA118.0°120.1°
CANCBHBHBA118.9°120.1°
CANCBCAHA81.8°55.0°
CBCANC122.1°120.0°
CBCANHA118.9°120.0°
CBCACHA118.8°120.0°
CBCACO167.1°100.0°
CBCACOAY12.2°80.0°
CACBCANHAN127.2°60.0°
CACBCANHANA5.1°60.0°
CACBHBHBA118.9°120.0°
CBCANHN8.1°60.0°
CBCANHNA128.0°63.9°
NCACHA119.6°120.0°
NCACO45.5°20.0°
NCACOAY133.8°160.0°
NCACBHB157.8°175.0°
NCACBHBA81.0°55.0°
CANHNHNA120.0°123.9°
CACOOAY179.2°180.0°
CACOAYPBL176.7°180.0°
CCACBHB80.7°54.9°
CCACBHBA40.5°65.0°
CCANHN130.2°60.0°
CCANHNA109.8°176.0°
OCOAYPBL4.0°0.0°
OCCAHA74.1°140.0°
COAYPBLOAI25.1°55.0°
COAYPBLOAF169.5°65.0°
COAYPBLO5'77.8°175.0°
OAYCCAHA106.6°40.0°
OAYPBLOAIOAF144.3°120.0°
OAYPBLOAIO5'103.2°120.0°
OAYPBLOAFO5'109.7°120.1°
OAYPBLO5'C5'32.5°175.0°
OAYPBLOAFHOAF61.0°60.0°
OAIPBLOAFO5'109.5°120.0°
OAIPBLO5'C5'144.4°55.0°
OAIPBLOAFHOAF158.1°180.0°
OAFPBLO5'C5'91.4°65.0°
PBLO5'C5'C4'162.8°180.0°
O5'PBLOAFHOAF48.7°60.0°
PBLO5'C5'H5'42.8°60.0°
PBLO5'C5'H5'A77.5°60.0°
O5'C5'C4'H5'120.0°120.0°
O5'C5'C4'H5'A119.7°119.9°
O5'C5'C4'O4'52.5°66.5°
O5'C5'C4'C3'61.2°175.7°
O5'C5'H5'H5'A119.7°120.0°
O5'C5'C4'H4'175.0°54.6°
C5'C4'O4'C3'119.0°119.4°
C5'C4'O4'H4'117.6°121.0°
C5'C4'C3'H4'117.5°121.1°
C5'C4'O4'C1'155.4°145.9°
C5'C4'C3'O3'72.7°119.9°
C5'C4'C3'C2'172.7°121.4°
C4'C5'H5'H5'A119.6°120.1°
C5'C4'C3'H3'47.8°2.6°
O4'C4'C3'H4'122.0°119.5°
O4'C4'C3'O3'166.8°120.7°
O4'C4'C3'C2'52.3°2.0°
C4'O4'C1'C2'4.8°40.1°
C4'O4'C1'N9124.0°158.6°
O4'C4'C5'H5'172.5°53.5°
O4'C4'C5'H5'A67.1°173.6°
O4'C4'C3'H3'72.7°116.8°
C4'O4'C1'H1'116.3°78.4°
C3'C4'O4'C1'36.4°26.5°
C4'C3'O3'C2'104.1°114.8°
C4'C3'O3'H3'128.4°122.5°
C4'C3'C2'H3'126.4°118.7°
C4'C3'C2'O2'66.3°139.1°
C4'C3'C2'C1'47.7°20.9°
C3'C4'C5'H5'58.8°64.3°
C3'C4'C5'H5'A179.1°55.7°
C4'C3'O3'HO3'113.0°180.0°
C4'C3'C2'H2'172.7°97.3°
O4'C1'C2'C3'28.4°37.0°
O4'C1'C2'O2'87.1°155.2°
O4'C1'C2'N9117.0°118.5°
O4'C1'C2'H1'123.2°118.5°
O4'C1'N9H1'123.3°123.0°
C1'O4'C4'H4'87.0°93.0°
O4'C1'C2'H2'152.2°81.2°
O3'C3'C2'H3'120.9°122.6°
O3'C3'C2'O2'46.4°20.4°
O3'C3'C2'C1'160.4°97.8°
O3'C3'C4'H4'44.8°1.2°
O3'C3'C2'H2'74.6°144.0°
C3'C2'O2'C1'109.0°112.7°
C3'C2'O2'H2'125.0°123.7°
C3'C2'C1'H2'123.8°118.2°
C3'C2'C1'N988.6°155.5°
C2'C3'C4'H4'69.8°117.5°
C2'C3'O3'HO3'142.9°65.2°
C3'C2'O2'HO2'28.3°61.5°
C3'C2'C1'H1'151.6°81.5°
O2'C2'C1'H2'120.7°123.6°
O2'C2'C1'N9155.9°86.2°
O2'C2'C3'H3'167.3°102.2°
O2'C2'C1'H1'36.1°36.7°
C2'C1'N9H1'121.4°122.9°
C1'C2'C3'H3'78.7°139.6°
C1'C2'O2'HO2'137.3°174.2°
C1'N9C8H82.6°0.0°
N9C1'C2'H2'35.2°37.3°
HAACAAHAAAHAAB120.0°120.0°
HAACAACAJHAJ152.7°60.0°
HAACAACAJHAJA82.3°60.0°
HAAACAACAJHAJ87.3°60.0°
HAAACAACAJHAJA37.7°180.0°
HAABCAACAJHAJ32.7°180.0°
HAABCAACAJHAJA157.7°60.0°
HAJCAJCAOHAO98.1°180.0°
HAJCAJCAOHAOA141.7°60.0°
HAJACAJCAOHAO26.9°60.0°
HAJACAJCAOHAOA93.3°180.0°
HNAVNAVCAPHAP121.9°120.0°
HNAVNAVCAPHAPA118.2°119.9°
HAPCAPCAMHAM104.5°180.0°
HAPCAPCAMHAMA15.7°60.0°
HAPACAPCAMHAM135.7°60.0°
HAPACAPCAMHAMA104.1°180.0°
HAMCAMCANHAN118.8°180.0°
HAMCAMCANHANA119.1°60.0°
HAMACAMCANHAN1.4°59.9°
HAMACAMCANHANA120.7°179.9°
HANCANCBHB112.8°180.0°
HANCANCBHBA8.4°59.9°
HANACANCBHB125.1°60.0°
HANACANCBHBA113.7°180.0°
HBCBCAHA38.2°65.0°
HBACBCAHA159.4°175.0°
HACANHN110.8°180.0°
HACANHNA9.2°56.1°
H5'C5'C4'H4'65.0°174.6°
H5'AC5'C4'H4'55.3°65.4°
H4'C4'C3'H3'165.3°123.7°
H3'C3'O3'HO3'15.4°57.5°
H3'C3'C2'H2'46.4°21.4°
H2'C2'O2'HO2'96.7°62.2°
H2'C2'C1'H1'84.6°160.3°

226262

PDB entries from 2024-10-16

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