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D5W

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NBFCBEdoub1.29Å1.30Å
N1C6doub1.32Å1.34ÅAromatic
N1C2sing1.33Å1.37ÅAromatic
CBEC2sing1.48Å1.48Å
C6C5sing1.39Å1.40ÅAromatic
C2N3doub1.33Å1.36ÅAromatic
C5C4doub1.39Å1.41ÅAromatic
N3C4sing1.32Å1.34ÅAromatic
C4CAXsing1.51Å1.52Å
CAXNAFsing1.46Å1.46Å
NAFCsing1.35Å1.36Å
OCdoub1.21Å1.24Å
CG1CD1sing1.53Å1.52Å
CG1CBsing1.53Å1.55Å
CG2CBsing1.53Å1.54Å
CCAsing1.51Å1.55Å
CBCAsing1.53Å1.57Å
CANsing1.46Å1.48Å
NCAGsing1.35Å1.35Å
CAGOAQdoub1.21Å1.24Å
CAGCAHsing1.51Å1.55Å
CAWNAUsing1.47Å1.50Å
NAUCAHsing1.47Å1.52Å
NAUCAVsing1.47Å1.49Å
CLACAKsing1.74Å1.80Å
CAJCAKdoub1.38Å1.42ÅAromatic
CAJCAIsing1.38Å1.42ÅAromatic
CAHCAIsing1.51Å1.56Å
CAKCALsing1.38Å1.39ÅAromatic
CAICANdoub1.38Å1.44ÅAromatic
CALCAMdoub1.38Å1.38ÅAromatic
CANCAMsing1.38Å1.41ÅAromatic
CAMCLBsing1.74Å1.80Å
C5H1sing1.08Å1.08Å
C6H2sing1.08Å1.08Å
CAJH3sing1.08Å1.08Å
CALH4sing1.08Å1.08Å
CANH5sing1.08Å1.08Å
CAHH6sing1.09Å1.10Å
CAWH8sing1.09Å1.10Å
CAWH9sing1.09Å1.10Å
CAWH10sing1.09Å1.10Å
CAVH11sing1.09Å1.10Å
CAVH12sing1.09Å1.10Å
CAVH13sing1.09Å1.10Å
NH14sing0.97Å1.00Å
CAH15sing1.09Å1.10Å
CBH16sing1.09Å1.10Å
CG2H17sing1.09Å1.10Å
CG2H18sing1.09Å1.10Å
CG2H19sing1.09Å1.10Å
CG1H20sing1.09Å1.10Å
CG1H21sing1.09Å1.10Å
CD1H22sing1.09Å1.10Å
CD1H23sing1.09Å1.10Å
CD1H24sing1.09Å1.10Å
NAFH25sing0.97Å1.00Å
CAXH26sing1.09Å1.10Å
CAXH27sing1.09Å1.10Å
CBEH28sing1.08Å1.08Å
NBFH29sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NBFCBEC2118.2°120.0°
NBFCBEH28120.9°120.0°
CBENBFH29112.0°120.0°
C6N1C2118.2°120.7°
N1C6C5119.5°119.2°
N1C6H2120.3°120.4°
N1C2CBE119.5°119.2°
N1C2N3123.9°121.6°
CBEC2N3116.6°119.1°
C2CBEH28120.9°120.0°
C6C5C4121.0°118.6°
C6C5H1119.5°120.7°
C5C6H2120.3°120.4°
C2N3C4119.5°120.7°
C5C4N3118.0°119.1°
C5C4CAX122.5°120.4°
C4C5H1119.5°120.7°
N3C4CAX119.5°120.4°
C4CAXNAF113.5°109.5°
C4CAXH26108.5°109.5°
C4CAXH27108.5°109.5°
CAXNAFC124.8°120.0°
CAXNAFH25117.6°120.0°
NAFCAXH26108.4°109.5°
NAFCAXH27108.5°109.5°
NAFCO121.3°120.0°
NAFCCA114.9°120.0°
CNAFH25117.6°120.0°
OCCA123.8°120.0°
CD1CG1CB115.5°109.5°
CD1CG1H20107.9°109.5°
CD1CG1H21107.9°109.5°
CG1CD1H22109.5°109.5°
CG1CD1H23109.5°109.5°
CG1CD1H24109.5°109.5°
CG1CBCG2110.3°109.5°
CG1CBCA114.2°109.5°
CG1CBH16105.7°109.4°
CBCG1H20107.9°109.5°
CBCG1H21108.0°109.5°
CG2CBCA114.5°109.5°
CG2CBH16105.7°109.5°
CBCG2H17109.5°109.5°
CBCG2H18109.5°109.4°
CBCG2H19109.5°109.5°
CCACB114.3°109.5°
CCAN120.1°109.5°
CCAH15105.2°109.5°
CBCAN105.0°109.4°
CBCAH15105.1°109.4°
CACBH16105.5°109.5°
CANCAG125.4°120.0°
CANH14117.3°120.0°
NCAH15105.9°109.5°
NCAGOAQ120.0°120.0°
NCAGCAH120.0°120.0°
CAGNH14117.3°120.0°
OAQCAGCAH119.9°120.0°
CAGCAHNAU105.0°109.4°
CAGCAHCAI118.2°109.4°
CAGCAHH6105.0°109.4°
CAWNAUCAH110.7°111.0°
CAWNAUCAV107.0°111.0°
NAUCAWH8109.5°109.5°
NAUCAWH9109.5°109.5°
NAUCAWH10109.4°109.5°
CAHNAUCAV117.1°111.0°
NAUCAHCAI116.9°109.5°
NAUCAHH6105.4°109.5°
NAUCAVH11109.5°109.4°
NAUCAVH12109.5°109.5°
NAUCAVH13109.5°109.5°
CLACAKCAJ124.0°120.0°
CLACAKCAL114.8°120.0°
CAKCAJCAI121.6°120.0°
CAJCAKCAL121.3°120.0°
CAKCAJH3119.2°120.0°
CAJCAICAH125.0°120.0°
CAJCAICAN114.1°120.1°
CAICAJH3119.2°120.1°
CAHCAICAN120.9°120.0°
CAICAHH6105.0°109.5°
CAKCALCAM119.7°120.0°
CAKCALH4120.2°120.0°
CAICANCAM123.8°120.0°
CAICANH5118.1°120.0°
CALCAMCAN119.5°120.0°
CALCAMCLB116.4°120.0°
CAMCALH4120.2°120.0°
CANCAMCLB124.1°120.0°
CAMCANH5118.1°120.0°
H8CAWH9109.5°109.5°
H8CAWH10109.5°109.4°
H9CAWH10109.5°109.5°
H11CAVH12109.5°109.5°
H11CAVH13109.5°109.5°
H12CAVH13109.5°109.5°
H17CG2H18109.5°109.5°
H17CG2H19109.5°109.5°
H18CG2H19109.4°109.5°
H20CG1H21109.5°109.4°
H22CD1H23109.4°109.5°
H22CD1H24109.5°109.4°
H23CD1H24109.5°109.4°
H26CAXH27109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NBFCBEC2N15.1°0.0°
NBFCBEC2H28180.0°180.0°
NBFCBEC2N3176.7°179.7°
C6N1C2CBE179.0°180.0°
N1C6C5H2180.0°180.0°
C6N1C2N30.9°0.3°
N1C6C5C40.5°0.0°
N1C6C5H1179.5°180.0°
N1C2CBEN3178.2°179.7°
C2N1C6C50.3°0.0°
N1C2N3C40.6°0.6°
C2N1C6H2179.7°179.9°
N1C2CBEH28174.9°180.0°
CBEC2N3C4178.8°179.8°
C2CBENBFH29180.0°180.0°
C6C5C4H1180.0°180.0°
C6C5C4N30.8°0.2°
C6C5C4CAX178.8°180.0°
C2N3C4C50.2°0.5°
C2N3C4CAX178.4°179.7°
N3C2CBEH283.3°0.3°
C5C4N3CAX178.1°179.7°
C5C4CAXNAF57.2°95.0°
C4C5C6H2179.5°180.0°
C5C4CAXH26177.8°145.0°
C5C4CAXH2763.4°25.0°
N3C4CAXNAF124.8°85.2°
N3C4C5H1179.2°179.8°
N3C4CAXH264.2°34.7°
N3C4CAXH27114.6°154.7°
C4CAXNAFH26120.6°120.0°
C4CAXNAFH27120.6°120.1°
C4CAXNAFC114.4°180.0°
CAXC4C5H11.2°0.0°
C4CAXNAFH2565.6°0.0°
C4CAXH26H27118.2°120.0°
CAXNAFCH25180.0°180.0°
CAXNAFCO1.0°4.7°
CAXNAFCCA179.9°175.4°
NAFCAXH26H27118.1°120.0°
NAFCOCA178.7°180.0°
NAFCCACB96.5°62.6°
NAFCCAN137.3°177.4°
NAFCCAH1518.2°57.4°
CNAFCAXH26125.0°60.0°
CNAFCAXH276.2°60.0°
OCCACB82.3°117.4°
OCCAN43.9°2.6°
OCCAH15163.0°122.6°
OCNAFH25179.0°175.3°
CD1CG1CBH20120.9°120.0°
CD1CG1CBH21120.9°120.0°
CD1CG1CBCG2154.5°173.3°
CD1CG1CBCA74.9°66.7°
CD1CG1CBH1640.6°53.3°
CD1CG1H20H21117.2°120.0°
CG1CD1H22H23120.0°120.0°
CG1CD1H22H24120.0°120.0°
CG1CD1H23H24120.0°120.0°
CG1CBCG2CA130.5°120.0°
CG1CBCG2H16113.8°120.0°
CG1CBCAC72.7°68.3°
CG1CBCAH16115.6°120.0°
CG1CBCAN153.7°51.7°
CG1CBCAH1542.2°171.7°
CG1CBCG2H17180.0°53.9°
CG1CBCG2H1860.0°66.1°
CG1CBCG2H1960.0°173.9°
CBCG1H20H21117.3°120.0°
CBCG1CD1H22180.0°164.0°
CBCG1CD1H2360.0°76.0°
CBCG1CD1H2460.0°44.0°
CG2CBCAC55.9°171.7°
CG2CBCAH16115.8°120.0°
CG2CBCAN77.8°68.3°
CG2CBCAH15170.7°51.6°
CBCG2H17H18120.0°120.0°
CBCG2H17H19120.0°120.0°
CBCG2H18H19120.0°120.0°
CG2CBCG1H2084.7°53.2°
CG2CBCG1H2133.5°66.7°
CCACBN133.7°120.0°
CCACBH15114.8°120.0°
CCANH15118.8°120.0°
CCANCAG98.3°140.7°
CCANH1481.7°39.2°
CCACBH16171.7°51.6°
CACNAFH250.1°4.6°
CBCANH15110.9°119.9°
CBCANCAG131.3°99.3°
CBCANH1448.7°80.8°
CACBCG2H1749.5°66.1°
CACBCG2H1870.5°174.0°
CACBCG2H19169.5°54.0°
CACBCG1H2046.0°173.2°
CACBCG1H21164.2°53.3°
CANCAGH14180.0°179.9°
CANCAGOAQ6.4°4.9°
CANCAGCAH177.4°175.1°
NCACBH1638.0°171.7°
NCAGOAQCAH176.3°180.0°
NCAGCAHNAU74.3°156.8°
NCAGCAHCAI58.3°83.2°
NCAGCAHH6174.8°36.9°
CAGNCAH1520.5°20.6°
OAQCAGCAHNAU102.0°23.2°
OAQCAGCAHCAI125.5°96.8°
OAQCAGCAHH68.9°143.1°
OAQCAGNH14173.7°175.2°
CAGCAHNAUCAW64.8°176.3°
CAGCAHNAUCAI133.3°120.0°
CAGCAHNAUH6110.6°119.9°
CAGCAHNAUCAV172.1°59.8°
CAGCAHCAICAJ6.8°100.0°
CAGCAHCAIH6116.6°120.0°
CAGCAHCAICAN171.1°80.1°
CAHCAGNH142.6°4.7°
CAWNAUCAHCAV123.0°123.9°
CAWNAUCAHCAI161.9°56.3°
CAWNAUCAHH645.8°63.8°
NAUCAWH8H9120.0°120.0°
NAUCAWH8H10120.0°120.0°
NAUCAWH9H10120.0°120.0°
CAWNAUCAVH11180.0°174.1°
CAWNAUCAVH1260.0°54.2°
CAWNAUCAVH1360.0°65.9°
NAUCAHCAICAJ120.2°140.0°
NAUCAHCAIH6116.3°120.1°
NAUCAHCAICAN61.9°39.9°
CAHNAUCAWH8180.0°63.9°
CAHNAUCAWH960.0°176.1°
CAHNAUCAWH1060.0°56.1°
CAHNAUCAVH1155.1°62.0°
CAHNAUCAVH1264.9°178.0°
CAHNAUCAVH13175.1°58.0°
CAVNAUCAHCAI38.8°179.8°
CAVNAUCAHH677.3°60.1°
CAVNAUCAWH851.4°60.0°
CAVNAUCAWH968.7°60.0°
CAVNAUCAWH10171.3°180.0°
NAUCAVH11H12120.0°120.0°
NAUCAVH11H13120.0°120.0°
NAUCAVH12H13120.0°120.0°
CLACAKCAJCAL179.7°180.0°
CLACAKCAJCAI178.8°180.0°
CLACAKCALCAM179.6°180.0°
CLACAKCAJH31.2°0.3°
CLACAKCALH40.4°0.1°
CAKCAJCAIH3180.0°179.7°
CAKCAJCAICAH179.7°179.9°
CAKCAJCAICAN1.7°0.0°
CAJCAKCALCAM0.1°0.0°
CAJCAKCALH4179.9°179.9°
CAJCAICAHCAN177.9°179.9°
CAICAJCAKCAL0.9°0.0°
CAJCAICANCAM2.0°0.0°
CAJCAICANH5178.0°179.9°
CAJCAICAHH6123.4°20.0°
CAHCAICANCAM179.9°179.9°
CAHCAICAJH30.3°0.3°
CAHCAICANH50.1°0.2°
CAKCALCAMH4180.0°179.9°
CAKCALCAMCAN0.4°0.0°
CAKCALCAMCLB179.8°180.0°
CALCAKCAJH3179.1°179.7°
CAICANCAMCAL1.4°0.0°
CAICANCAMH5180.0°179.9°
CAICANCAMCLB178.8°180.0°
CANCAICAJH3178.3°179.7°
CANCAICAHH654.4°160.0°
CALCAMCANCLB179.8°180.0°
CALCAMCANH5178.6°179.9°
CANCAMCALH4179.6°179.9°
CLBCAMCALH40.2°0.0°
CLBCAMCANH51.2°0.1°
H1C5C6H20.6°0.0°
H8CAWH9H10120.0°120.0°
H11CAVH12H13120.0°120.0°
H14NCAH15159.5°159.3°
H15CACBH1673.5°68.4°
H16CBCG2H1766.2°173.9°
H16CBCG2H18173.7°53.9°
H16CBCG2H1953.8°66.1°
H16CBCG1H20161.5°66.8°
H16CBCG1H2180.3°173.3°
H17CG2H18H19120.0°120.0°
H20CG1CD1H2259.1°44.0°
H20CG1CD1H2360.8°164.0°
H20CG1CD1H24179.1°76.0°
H21CG1CD1H2259.1°76.0°
H21CG1CD1H23179.1°44.0°
H21CG1CD1H2460.9°164.0°
H22CD1H23H24120.0°119.9°
H25NAFCAXH2655.0°120.0°
H25NAFCAXH27173.8°120.1°
H28CBENBFH290.0°0.0°

222624

PDB entries from 2024-07-17

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