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K3E

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N6C6sing1.38Å1.29Å
N7C5sing1.35Å1.27ÅAromatic
N7C8doub1.30Å1.27ÅAromatic
C6C5doub1.41Å1.37ÅAromatic
C6N1sing1.33Å1.29ÅAromatic
C5C4sing1.41Å1.34ÅAromatic
C8N9sing1.36Å1.30ÅAromatic
N1C2doub1.32Å1.28ÅAromatic
C2'O2'sing1.43Å1.35Å
C2'C3'sing1.54Å1.53Å
C2'C1'sing1.54Å1.53Å
C4N9sing1.37Å1.28ÅAromatic
C4N3doub1.33Å1.28ÅAromatic
N9C1'sing1.46Å1.41Å
C3'O3'sing1.43Å1.36Å
C3'C4'sing1.55Å1.51Å
C2N3sing1.32Å1.26ÅAromatic
C1'O4'sing1.44Å1.36Å
O4'C4'sing1.44Å1.37Å
C4'C5'sing1.53Å1.57Å
C5'O5'sing1.43Å1.46Å
NBBCAYsing1.38Å1.28Å
CAYNAXdoub1.33Å1.28ÅAromatic
CAYCAZsing1.41Å1.37ÅAromatic
O5'CAPsing1.43Å1.46Å
NBACAZsing1.35Å1.27ÅAromatic
NBACASdoub1.31Å1.26ÅAromatic
NAXCAWsing1.32Å1.28ÅAromatic
CAZCAUdoub1.41Å1.35ÅAromatic
CASCARsing1.43Å1.39Å
CASNATsing1.37Å1.28ÅAromatic
CARCAQtrip1.17Å1.15Å
CAQCAPsing1.47Å1.45Å
CAWNAVdoub1.32Å1.28ÅAromatic
CAUNATsing1.37Å1.27ÅAromatic
CAUNAVsing1.33Å1.30ÅAromatic
OBKCBJsing1.43Å1.33Å
NATCBCsing1.46Å1.42Å
CBJCBCsing1.55Å1.44Å
CBJCBHsing1.54Å1.50Å
CBCOBDsing1.44Å1.39Å
CBHOBIsing1.43Å1.37Å
CBHCBEsing1.54Å1.48Å
OBDCBEsing1.44Å1.35Å
CBECBFsing1.53Å1.50Å
CBFNBGsing1.47Å1.44Å
C2H1sing1.08Å1.08Å
C1'H2sing1.09Å1.10Å
C2'H3sing1.09Å1.10Å
C3'H4sing1.09Å1.10Å
C4'H5sing1.09Å1.10Å
C5'H6sing1.09Å1.10Å
C5'H7sing1.09Å1.10Å
C8H8sing1.08Å1.08Å
CAPH9sing1.09Å1.10Å
CAPH10sing1.09Å1.10Å
CAWH11sing1.08Å1.08Å
CBCH12sing1.09Å1.10Å
CBEH13sing1.09Å1.10Å
CBFH14sing1.09Å1.10Å
CBFH15sing1.09Å1.10Å
CBHH16sing1.09Å1.10Å
CBJH17sing1.09Å1.10Å
N6H18sing0.97Å1.00Å
N6H19sing0.97Å1.00Å
NBBH20sing0.97Å1.00Å
NBBH21sing0.97Å1.00Å
NBGH22sing1.01Å1.00Å
NBGH23sing1.01Å1.00Å
O2'H25sing0.97Å0.95Å
O3'H26sing0.97Å0.95Å
OBIH27sing0.97Å0.95Å
OBKH28sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N6C6C5123.8°120.8°
N6C6N1119.4°120.8°
C6N6H18109.5°120.0°
C6N6H19109.5°120.0°
C5N7C8108.3°109.4°
N7C5C6133.2°134.7°
N7C5C4106.9°107.2°
N7C8N9110.2°110.0°
N7C8H8124.9°125.0°
C5C6N1116.8°118.5°
C6C5C4119.9°118.1°
C6N1C2121.0°121.2°
C5C4N9108.3°106.0°
C5C4N3118.5°119.1°
C8N9C4106.3°107.5°
C8N9C1'124.8°126.3°
N9C8H8124.9°125.0°
N1C2N3123.0°122.5°
N1C2H1118.5°118.8°
O2'C2'C3'110.9°110.5°
O2'C2'C1'110.2°110.5°
O2'C2'H3113.0°110.4°
C2'O2'H25109.5°114.0°
C3'C2'C1'101.8°104.1°
C2'C3'O3'111.5°110.5°
C2'C3'C4'101.9°104.1°
C3'C2'H3110.2°110.6°
C2'C3'H4110.1°110.5°
C2'C1'N9111.8°110.4°
C2'C1'O4'105.0°104.8°
C2'C1'H2109.7°110.4°
C1'C2'H3110.2°110.5°
N9C4N3133.2°134.9°
C4N9C1'128.9°126.3°
C4N3C2120.8°120.6°
N9C1'O4'106.5°110.4°
N9C1'H2111.4°110.4°
O3'C3'C4'109.7°110.5°
O3'C3'H4112.7°110.5°
C3'O3'H26109.5°114.0°
C3'C4'O4'100.7°104.8°
C3'C4'C5'113.2°110.4°
C4'C3'H4110.4°110.6°
C3'C4'H5108.8°110.3°
N3C2H1118.5°118.7°
C1'O4'C4'106.9°105.3°
O4'C1'H2112.2°110.4°
O4'C4'C5'115.3°110.4°
O4'C4'H5110.7°110.5°
C4'C5'O5'118.8°109.5°
C5'C4'H5108.0°110.4°
C4'C5'H6107.1°109.5°
C4'C5'H7107.1°109.5°
C5'O5'CAP125.7°114.0°
O5'C5'H6107.1°109.4°
O5'C5'H7107.1°109.5°
NBBCAYNAX119.1°120.8°
NBBCAYCAZ122.6°120.8°
CAYNBBH20109.5°120.0°
CAYNBBH21109.5°120.0°
NAXCAYCAZ118.3°118.4°
CAYNAXCAW119.6°121.2°
CAYCAZNBA133.1°134.4°
CAYCAZCAU119.8°118.1°
O5'CAPCAQ111.3°109.5°
O5'CAPH9109.0°109.5°
O5'CAPH10109.0°109.5°
CAZNBACAS107.9°109.4°
NBACAZCAU107.2°107.4°
NBACASCAR124.6°125.2°
NBACASNAT110.6°109.6°
NAXCAWNAV124.9°122.4°
NAXCAWH11117.6°118.8°
CAZCAUNAT106.6°106.2°
CAZCAUNAV118.0°119.1°
CARCASNAT124.8°125.2°
CASCARCAQ175.4°180.0°
CASNATCAU107.8°107.3°
CASNATCBC122.7°126.4°
CARCAQCAP179.5°180.0°
CAQCAPH9109.0°109.5°
CAQCAPH10109.0°109.5°
CAWNAVCAU119.4°120.7°
NAVCAWH11117.5°118.8°
NATCAUNAV135.3°134.7°
CAUNATCBC129.6°126.3°
OBKCBJCBC103.9°110.5°
OBKCBJCBH110.0°110.5°
OBKCBJH17115.2°110.6°
CBJOBKH28109.5°114.0°
NATCBCCBJ117.4°110.5°
NATCBCOBD102.2°110.4°
NATCBCH12109.9°110.4°
CBCCBJCBH101.3°104.1°
CBJCBCOBD107.1°104.8°
CBJCBCH12109.6°110.3°
CBCCBJH17113.1°110.5°
CBJCBHOBI111.4°110.5°
CBJCBHCBE102.1°104.1°
CBJCBHH16111.2°110.7°
CBHCBJH17112.2°110.5°
CBCOBDCBE110.5°105.3°
OBDCBCH12110.3°110.3°
OBICBHCBE107.0°110.5°
OBICBHH16113.2°110.5°
CBHOBIH27109.5°114.0°
CBHCBEOBD106.8°104.8°
CBHCBECBF100.2°110.4°
CBHCBEH13112.1°110.4°
CBECBHH16111.3°110.5°
OBDCBECBF110.3°110.4°
OBDCBEH13114.6°110.4°
CBECBFNBG107.9°109.5°
CBFCBEH13111.8°110.3°
CBECBFH14109.9°109.5°
CBECBFH15109.9°109.5°
NBGCBFH14109.9°109.5°
NBGCBFH15109.9°109.4°
CBFNBGH22109.5°111.0°
CBFNBGH23109.5°111.1°
H6C5'H7109.5°109.5°
H9CAPH10109.5°109.5°
H14CBFH15109.5°109.5°
H18N6H19109.5°120.0°
H20NBBH21109.4°120.0°
H22NBGH23109.5°111.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N6C6C5N70.5°0.7°
N6C6C5N1178.8°179.3°
N6C6C5C4180.0°180.0°
N6C6N1C2180.0°179.8°
C6N6H18H19120.0°180.0°
N7C5C6C4179.5°179.3°
N7C5C6N1179.4°180.0°
C5N7C8N90.7°0.0°
N7C5C4N90.3°0.0°
N7C5C4N3179.6°180.0°
C5N7C8H8179.2°180.0°
C8N7C5C6179.8°179.4°
C8N7C5C40.6°0.1°
N7C8N9H8180.0°180.0°
N7C8N9C40.5°0.0°
N7C8N9C1'179.2°180.0°
C5C6N1C21.1°0.4°
C6C5C4N9179.9°179.5°
C6C5C4N30.0°0.5°
C5C6N6H18178.8°0.0°
C5C6N6H1958.8°180.0°
N1C6C5C41.1°0.7°
C6N1C2N30.0°0.1°
C6N1C2H1180.0°179.7°
N1C6N6H180.0°179.3°
N1C6N6H19120.0°0.7°
C5C4N9C80.1°0.0°
C5C4N9N3179.8°180.0°
C5C4N9C1'179.6°180.0°
C5C4N3C21.2°0.0°
C8N9C1'C2'66.8°91.8°
C8N9C4C1'179.7°180.0°
C8N9C4N3180.0°180.0°
C8N9C1'O4'47.4°23.5°
C8N9C1'H2170.1°145.8°
N1C2N3C41.3°0.3°
N1C2N3H1180.0°179.7°
O2'C2'C3'C1'117.2°118.7°
O2'C2'C3'H3125.9°122.6°
O2'C2'C1'H3125.3°122.5°
O2'C2'C1'N9115.5°98.5°
O2'C2'C3'O3'16.4°0.0°
O2'C2'C3'C4'100.6°118.7°
O2'C2'C1'O4'129.4°142.6°
O2'C2'C1'H28.6°23.8°
O2'C2'C3'H4142.3°122.6°
C3'C2'C1'H3116.9°118.8°
C3'C2'C1'N9126.7°142.8°
C2'C3'O3'C4'112.2°114.7°
C2'C3'O3'H4124.5°122.6°
C2'C3'C4'H4116.9°118.7°
C3'C2'C1'O4'11.6°24.0°
C2'C3'C4'O4'39.5°24.0°
C2'C3'C4'C5'163.1°142.8°
C3'C2'C1'H2109.2°94.9°
C2'C3'C4'H576.9°95.0°
C3'C2'O2'H25180.0°61.4°
C2'C3'O3'H26180.0°61.4°
C2'C1'N9C4112.8°88.2°
C2'C1'N9O4'114.2°115.4°
C2'C1'N9H2123.1°122.4°
C1'C2'C3'O3'133.6°118.6°
C1'C2'C3'C4'16.6°0.0°
C2'C1'O4'H2119.1°118.9°
C2'C1'O4'C4'39.6°40.5°
C1'C2'C3'H4100.5°118.7°
C1'C2'O2'H2568.0°176.1°
N9C4N3C2178.9°180.0°
C4N9C1'O4'133.0°156.5°
C4N9C1'H210.3°34.2°
C4N9C8H8179.4°180.0°
N3C4N9C1'0.3°0.0°
C4N3C2H1178.7°180.0°
N9C1'O4'H2122.2°122.2°
N9C1'O4'C4'158.3°159.3°
N9C1'C2'H39.8°24.0°
C1'N9C8H80.8°0.0°
O3'C3'C4'H4124.8°122.7°
O3'C3'C4'O4'157.8°142.6°
O3'C3'C4'C5'78.6°98.5°
O3'C3'C2'H3109.5°122.6°
O3'C3'C4'H541.4°23.7°
C3'C4'O4'C1'50.4°40.5°
C3'C4'O4'C5'122.1°118.8°
C3'C4'O4'H5114.9°118.8°
C3'C4'C5'H5120.5°122.2°
C3'C4'C5'O5'156.2°175.0°
C4'C3'C2'H3133.6°118.7°
C3'C4'C5'H634.8°55.0°
C3'C4'C5'H782.5°65.0°
C4'C3'O3'H2667.8°176.1°
C1'O4'C4'C5'172.5°159.3°
O4'C1'C2'H3105.3°94.8°
C1'O4'C4'H564.5°78.3°
O4'C4'C5'H5124.4°122.4°
O4'C4'C5'O5'88.7°69.7°
C4'O4'C1'H279.5°78.4°
O4'C4'C3'H477.5°94.7°
O4'C4'C5'H6150.0°170.4°
O4'C4'C5'H732.6°50.4°
C4'C5'O5'H6121.3°120.0°
C4'C5'O5'H7121.3°120.1°
C4'C5'O5'CAP79.2°180.0°
C5'C4'C3'H446.2°24.1°
C4'C5'H6H7115.8°120.1°
C5'O5'CAPCAQ67.4°180.0°
O5'C5'C4'H535.7°52.7°
O5'C5'H6H7115.7°120.0°
C5'O5'CAPH952.9°60.0°
C5'O5'CAPH10172.3°60.0°
NBBCAYNAXCAZ179.6°179.8°
NBBCAYCAZNBA1.8°0.1°
NBBCAYNAXCAW178.4°180.0°
NBBCAYCAZCAU179.0°179.8°
CAYNBBH20H21120.0°180.0°
NAXCAYCAZNBA177.7°179.9°
NAXCAYCAZCAU1.5°0.0°
CAYNAXCAWNAV2.1°0.1°
CAYNAXCAWH11177.9°179.8°
NAXCAYNBBH200.0°0.1°
NAXCAYNBBH21120.0°180.0°
CAYCAZNBACAU179.3°179.9°
CAYCAZNBACAS178.1°179.8°
CAZCAYNAXCAW2.0°0.1°
CAYCAZCAUNAT178.3°180.0°
CAYCAZCAUNAV0.8°0.2°
CAZCAYNBBH20179.5°179.8°
CAZCAYNBBH2159.5°0.2°
O5'CAPCAQCAR10.1°148.4°
O5'CAPCAQH9120.3°120.0°
O5'CAPCAQH10120.3°120.0°
CAPO5'C5'H642.2°60.0°
CAPO5'C5'H7159.5°60.0°
O5'CAPH9H10119.1°120.1°
CAZNBACASCAR179.9°180.0°
CAZNBACASNAT0.8°0.2°
NBACAZCAUNAT1.1°0.0°
NBACAZCAUNAV178.5°179.9°
CASNBACAZCAU1.1°0.1°
NBACASCARNAT179.2°179.7°
NBACASCARCAQ172.3°50.6°
NBACASNATCAU0.1°0.2°
NBACASNATCBC178.3°179.8°
NAXCAWNAVH11180.0°180.0°
NAXCAWNAVCAU1.5°0.0°
CAZCAUNATCAS0.6°0.2°
CAZCAUNAVCAW0.8°0.2°
CAZCAUNATNAV176.8°179.8°
CAZCAUNATCBC178.9°179.9°
CASCARCAQCAP75.8°142.0°
CARCASNATCAU179.4°180.0°
CARCASNATCBC1.0°0.0°
NATCASCARCAQ8.5°129.6°
CASNATCAUCBC178.2°180.0°
CASNATCAUNAV177.4°180.0°
CASNATCBCCBJ135.4°71.9°
CASNATCBCOBD107.8°43.6°
CASNATCBCH129.3°165.8°
CARCAQCAPH9110.2°91.6°
CARCAQCAPH10130.4°28.3°
CAQCAPH9H10119.2°120.0°
CAWNAVCAUNAT177.3°180.0°
CAUNATCBCCBJ46.6°108.1°
CAUNATCBCOBD70.2°136.5°
CAUNATCBCH12172.7°14.2°
NAVCAUNATCBC4.4°0.0°
CAUNAVCAWH11178.5°180.0°
OBKCBJCBCNAT100.6°98.5°
OBKCBJCBCCBH114.1°118.7°
OBKCBJCBCH17125.6°122.7°
OBKCBJCBHH17129.6°122.7°
OBKCBJCBCOBD145.3°142.6°
OBKCBJCBHOBI29.4°0.1°
OBKCBJCBHCBE143.3°118.6°
OBKCBJCBCH1225.6°23.9°
OBKCBJCBHH1697.9°122.6°
NATCBCCBJOBD114.1°118.9°
NATCBCCBJH12126.2°122.4°
NATCBCCBJCBH145.3°142.8°
NATCBCOBDH12116.8°122.3°
NATCBCOBDCBE140.1°159.4°
NATCBCCBJH1725.0°24.2°
CBCCBJCBHH17120.9°118.6°
CBJCBCOBDH12119.2°118.7°
CBCCBJCBHOBI80.1°118.6°
CBCCBJCBHCBE33.8°0.1°
CBJCBCOBDCBE16.1°40.4°
CBCCBJCBHH16152.6°118.6°
CBCCBJOBKH28180.0°180.0°
CBHCBJCBCOBD31.2°23.9°
CBJCBHOBICBE110.8°114.6°
CBJCBHOBIH16126.2°122.8°
CBJCBHCBEH16118.7°118.8°
CBJCBHCBEOBD25.8°24.0°
CBJCBHCBECBF89.2°142.8°
CBHCBJCBCH1288.5°94.8°
CBJCBHCBEH13152.0°94.9°
CBJCBHOBIH27180.0°65.4°
CBHCBJOBKH2872.3°65.3°
CBCOBDCBECBH6.8°40.5°
CBCOBDCBECBF101.2°159.3°
CBCOBDCBEH13131.6°78.4°
OBDCBCCBJH1789.1°94.7°
OBICBHCBEH16124.1°122.6°
OBICBHCBEOBD91.4°142.6°
OBICBHCBECBF153.6°98.5°
OBICBHCBEH1334.9°23.7°
OBICBHCBJH17159.0°122.8°
CBHCBEOBDCBF108.0°118.8°
CBHCBEOBDH13124.8°118.9°
CBHCBECBFH13118.9°122.3°
CBHCBECBFNBG175.5°176.6°
CBHCBECBFH1464.7°56.6°
CBHCBECBFH1555.8°63.5°
CBECBHCBJH1787.1°118.6°
CBECBHOBIH2769.2°180.0°
OBDCBECBFH13128.8°122.3°
OBDCBECBFNBG63.2°68.0°
CBEOBDCBCH12103.1°78.3°
OBDCBECBFH14177.0°172.0°
OBDCBECBFH1556.5°51.9°
OBDCBECBHH16144.5°94.8°
CBECBFNBGH14119.8°120.0°
CBECBFNBGH15119.8°120.0°
CBECBFH14H15120.7°120.0°
CBFCBECBHH1629.5°24.0°
CBECBFNBGH22180.0°180.0°
CBECBFNBGH2360.0°56.0°
NBGCBFCBEH1365.5°54.3°
NBGCBFH14H15120.7°119.9°
CBFNBGH22H23120.0°124.0°
H2C1'C2'H3133.9°146.3°
H3C2'C3'H416.5°0.0°
H3C2'O2'H2555.7°61.3°
H4C3'C4'H5166.2°146.4°
H4C3'O3'H2655.6°61.2°
H5C4'C5'H685.6°67.2°
H5C4'C5'H7157.0°172.8°
H12CBCCBJH17151.2°146.6°
H13CBECBFH1454.2°65.7°
H13CBECBFH15174.7°174.3°
H13CBECBHH1689.2°146.3°
H14CBFNBGH2260.2°60.0°
H14CBFNBGH23179.8°176.1°
H15CBFNBGH2260.2°60.0°
H15CBFNBGH2359.8°64.0°
H16CBHCBJH1731.7°0.1°
H16CBHOBIH2753.8°57.4°
H17CBJOBKH2855.7°57.3°

222624

PDB entries from 2024-07-17

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