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ATA

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N'CA'sing1.47Å1.50Å
N'HN'1sing1.01Å1.02Å
N'HN'2sing1.01Å1.02Å
CA'CB'sing1.53Å1.54Å
CA'CC'sing1.51Å1.54Å
CA'HA'sing1.09Å1.12Å
CB'CG'sing1.53Å1.51Å
CB'HB'1sing1.09Å1.11Å
CB'HB'2sing1.09Å1.12Å
CG'C'sing1.51Å1.52Å
CG'HG'1sing1.09Å1.12Å
CG'HG'2sing1.09Å1.12Å
CC'O1'doub1.21Å1.25Å
CC'O2'sing1.34Å1.24Å
O2'HO'2sing0.97Å0.95Å
C'O'doub1.21Å1.23Å
C'Nsing1.35Å1.34Å
N5C6doub1.33Å1.35ÅAromatic
N5C4sing1.33Å1.35ÅAromatic
C6N1sing1.33Å1.35ÅAromatic
C6N11sing1.38Å1.50Å
N1C2doub1.33Å1.35ÅAromatic
C2N3sing1.33Å1.35ÅAromatic
C2SGsing1.76Å1.76Å
N3C4doub1.33Å1.35ÅAromatic
C4N7sing1.38Å1.51Å
NCAsing1.46Å1.45Å
NHNsing0.97Å1.02Å
CACsing1.51Å1.53Å
CACBsing1.53Å1.53Å
CAHAsing1.09Å1.11Å
COdoub1.21Å1.24Å
CNDsing1.35Å1.33Å
CBSGsing1.81Å1.82Å
CBHB1sing1.09Å1.12Å
CBHB2sing1.09Å1.12Å
N7C8sing1.46Å1.51Å
N7H7sing0.97Å1.02Å
N11C12sing1.47Å1.48Å
N11H11sing0.97Å1.02Å
C12C13sing1.53Å1.54Å
C12H121sing1.09Å1.12Å
C12H122sing1.09Å1.12Å
C13H131sing1.09Å1.12Å
C13H132sing1.09Å1.11Å
C13H133sing1.09Å1.11Å
C8C9sing1.53Å1.54Å
C8C10sing1.53Å1.55Å
C8H8sing1.09Å1.11Å
C9H91sing1.09Å1.11Å
C9H92sing1.09Å1.12Å
C9H93sing1.09Å1.12Å
C10H101sing1.09Å1.11Å
C10H102sing1.09Å1.11Å
C10H103sing1.09Å1.11Å
NDCADsing1.47Å1.46Å
NDHN'sing0.97Å1.02Å
CADCDsing1.51Å1.53Å
CADHA'1sing1.09Å1.11Å
CADHA'2sing1.09Å1.11Å
CDODdoub1.21Å1.25Å
CDOT'sing1.34Å1.26Å
OT'HO'sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CA'N'HN'1111.8°106.7°
CA'N'HN'2111.3°106.7°
N'CA'CB'111.8°109.5°
N'CA'CC'105.3°109.5°
N'CA'HA'110.9°109.5°
HN'1N'HN'2111.4°106.6°
CB'CA'CC'109.9°109.5°
CB'CA'HA'106.3°109.5°
CA'CB'CG'116.4°109.5°
CA'CB'HB'1109.7°109.5°
CA'CB'HB'2109.7°109.5°
CC'CA'HA'112.7°109.4°
CA'CC'O1'120.3°120.0°
CA'CC'O2'115.3°120.0°
CG'CB'HB'1109.7°109.4°
CG'CB'HB'2109.7°109.4°
CB'CG'C'119.6°109.5°
CB'CG'HG'1108.6°109.4°
CB'CG'HG'2108.6°109.4°
HB'1CB'HB'2100.5°109.5°
C'CG'HG'1108.6°109.5°
C'CG'HG'2108.6°109.5°
CG'C'O'116.9°120.0°
CG'C'N116.6°120.0°
HG'1CG'HG'2101.4°109.5°
O1'CC'O2'124.3°120.0°
CC'O2'HO'2115.3°119.9°
O'C'N120.1°120.0°
C'NCA129.4°120.0°
C'NHN110.7°120.0°
C6N5C4109.0°120.0°
N5C6N1119.5°120.0°
N5C6N11113.4°120.0°
N5C4N3122.6°120.1°
N5C4N7115.1°120.0°
N1C6N11118.6°120.0°
C6N1C2113.9°120.0°
C6N11C12107.4°120.0°
C6N11H11113.0°120.0°
N1C2N3120.9°120.0°
N1C2SG116.5°120.0°
N3C2SG116.5°120.0°
C2N3C4112.3°120.0°
C2SGCB117.5°100.0°
N3C4N7120.5°120.0°
C4N7C8114.5°120.0°
C4N7H7110.4°120.0°
CANHN119.8°120.0°
NCAC115.0°109.5°
NCACB117.9°109.5°
NCAHA99.6°109.5°
CCACB113.4°109.4°
CCAHA106.1°109.4°
CACO118.0°120.0°
CACND117.4°120.0°
CBCAHA102.0°109.5°
CACBSG115.7°109.5°
CACBHB1110.0°109.5°
CACBHB2110.0°109.5°
OCND122.7°120.1°
CNDCAD126.9°119.9°
CNDHN'111.3°120.0°
SGCBHB1109.9°109.5°
SGCBHB2109.9°109.5°
HB1CBHB2100.2°109.4°
C8N7H7110.4°120.0°
N7C8C9110.5°109.5°
N7C8C10112.5°109.5°
N7C8H8106.8°109.5°
C12N11H11113.0°119.9°
N11C12C13116.0°109.5°
N11C12H121109.9°109.4°
N11C12H122109.9°109.5°
C13C12H121109.8°109.5°
C13C12H122109.8°109.5°
C12C13H131115.9°109.5°
C12C13H132109.9°109.5°
C12C13H133109.9°109.5°
H121C12H122100.3°109.4°
H131C13H132109.8°109.5°
H131C13H133109.8°109.5°
H132C13H133100.4°109.4°
C9C8C10109.9°109.4°
C9C8H8109.5°109.5°
C8C9H91110.5°109.5°
C8C9H92111.8°109.5°
C8C9H93111.8°109.6°
C10C8H8107.5°109.5°
C8C10H101112.4°109.5°
C8C10H102111.1°109.4°
C8C10H103111.1°109.5°
H91C9H92111.8°109.4°
H91C9H93111.8°109.4°
H92C9H9398.6°109.5°
H101C10H102111.2°109.5°
H101C10H103111.2°109.5°
H102C10H10399.3°109.5°
CADNDHN'121.8°120.1°
NDCADCD106.8°109.4°
NDCADHA'1113.2°109.5°
NDCADHA'2113.2°109.4°
CDCADHA'1113.2°109.5°
CDCADHA'2113.2°109.5°
CADCDOD120.2°120.0°
CADCDOT'110.7°120.0°
HA'1CADHA'297.3°109.5°
ODCDOT'121.4°119.9°
CDOT'HO'110.7°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CA'N'HN'1HN'2125.3°113.8°
N'CA'CB'CC'116.6°120.0°
N'CA'CB'HA'121.1°120.0°
N'CA'CC'HA'121.0°120.0°
N'CA'CB'CG'158.4°60.0°
N'CA'CB'HB'133.2°180.0°
N'CA'CB'HB'276.3°60.0°
N'CA'CC'O1'141.7°30.0°
N'CA'CC'O2'37.7°149.9°
HN'1N'CA'CB'180.0°53.7°
HN'1N'CA'CC'60.6°173.8°
HN'1N'CA'HA'61.6°66.3°
HN'2N'CA'CB'54.7°60.0°
HN'2N'CA'CC'174.1°60.0°
HN'2N'CA'HA'63.7°180.0°
CB'CA'CC'HA'118.3°120.0°
CA'CB'CG'HB'1125.3°120.0°
CA'CB'CG'HB'2125.3°120.0°
CA'CB'HB'1HB'2115.5°120.0°
CA'CB'CG'C'154.6°180.0°
CA'CB'CG'HG'129.3°60.0°
CA'CB'CG'HG'280.2°60.0°
CB'CA'CC'O1'97.7°90.0°
CB'CA'CC'O2'82.9°90.1°
CC'CA'CB'CG'84.9°180.0°
CC'CA'CB'HB'1149.8°60.0°
CC'CA'CB'HB'240.3°60.0°
CA'CC'O1'O2'179.4°179.9°
CA'CC'O2'HO'2180.0°180.0°
HA'CA'CB'CG'37.3°60.0°
HA'CA'CB'HB'188.0°60.0°
HA'CA'CB'HB'2162.5°NaN°
HA'CA'CC'O1'20.7°150.0°
HA'CA'CC'O2'158.7°29.9°
CG'CB'HB'1HB'2115.5°120.0°
CB'CG'C'HG'1125.3°120.0°
CB'CG'C'HG'2125.3°120.0°
CB'CG'HG'1HG'2114.3°119.9°
CB'CG'C'O'3.8°0.0°
CB'CG'C'N148.2°180.0°
HB'1CB'CG'C'80.1°60.0°
HB'1CB'CG'HG'1154.6°180.0°
HB'1CB'CG'HG'245.1°60.0°
HB'2CB'CG'C'29.3°60.0°
HB'2CB'CG'HG'196.0°60.0°
HB'2CB'CG'HG'2154.5°180.0°
C'CG'HG'1HG'2114.2°120.0°
CG'C'O'N151.0°180.0°
CG'C'NCA162.3°180.0°
CG'C'NHN17.7°0.0°
HG'1CG'C'O'121.5°120.0°
HG'1CG'C'N86.5°60.1°
HG'2CG'C'O'129.1°120.0°
HG'2CG'C'N22.9°60.0°
O1'CC'O2'HO'20.6°0.1°
O'C'NCA46.7°0.0°
O'C'NHN133.4°180.0°
C'NCAHN180.0°180.0°
C'NCAC178.2°90.0°
C'NCACB40.3°150.1°
C'NCAHA68.9°30.1°
N5C6N1N11146.0°179.8°
N5C6N1C220.8°0.4°
C6N5C4N335.6°0.1°
C6N5C4N7159.5°180.0°
N5C6N11C1225.2°180.0°
N5C6N11H11150.4°0.1°
C4N5C6N147.5°0.2°
C4N5C6N11164.8°180.0°
N5C4N3C21.8°0.1°
N5C4N3N7164.2°179.9°
N5C4N7C8119.2°180.0°
N5C4N7H7115.4°0.0°
C6N1C2N322.0°0.5°
C6N1C2SG173.4°179.9°
N1C6N11C12122.8°0.2°
N1C6N11H112.4°179.8°
N11C6N1C2166.8°179.8°
C6N11C12H11125.2°179.9°
C6N11C12C13159.1°180.0°
C6N11C12H12175.6°59.9°
C6N11C12H12233.8°60.0°
N1C2N3SG151.4°179.6°
N1C2N3C432.7°0.3°
N1C2SGCB169.0°0.3°
C2N3C4N7162.4°180.0°
N3C2SGCB16.3°179.9°
SGC2N3C4175.9°180.0°
C2SGCBCA122.0°180.0°
C2SGCBHB1112.7°60.0°
C2SGCBHB23.3°60.0°
N3C4N7C875.4°0.1°
N3C4N7H749.9°179.9°
C4N7C8H7125.3°180.0°
C4N7C8C9147.4°150.0°
C4N7C8C1024.2°90.0°
C4N7C8H893.5°30.0°
NCACCB139.9°120.0°
NCACHA109.1°120.1°
NCACBHA107.8°120.0°
NCACO124.8°150.0°
NCACND70.8°30.0°
NCACBSG80.0°60.0°
NCACBHB145.3°180.0°
NCACBHB2154.7°60.1°
HNNCAC1.7°90.0°
HNNCACB139.7°30.0°
HNNCAHA111.2°150.0°
CCACBHA113.6°119.9°
CACOND163.5°180.0°
CCACBSG141.4°180.0°
CCACBHB193.3°60.0°
CCACBHB216.1°60.0°
CACNDCAD155.4°180.0°
CACNDHN'24.6°0.0°
CBCACO15.1°90.0°
CBCACND149.3°90.0°
CACBSGHB1125.3°120.0°
CACBSGHB2125.3°120.0°
CACBHB1HB2115.8°119.9°
HACACO126.2°29.9°
HACACND38.2°150.0°
HACACBSG27.8°60.0°
HACACBHB1153.1°60.0°
HACACBHB297.4°179.9°
OCNDCAD41.0°0.0°
OCNDHN'139.0°180.0°
CNDCADHN'180.0°180.0°
CNDCADCD40.5°180.0°
CNDCADHA'184.8°60.0°
CNDCADHA'2165.7°60.0°
SGCBHB1HB2115.7°120.1°
N7C8C9C10124.7°120.0°
N7C8C9H8117.4°120.0°
N7C8C10H8117.3°120.0°
N7C8C9H91180.0°180.0°
N7C8C9H9254.8°60.1°
N7C8C9H9354.7°60.0°
N7C8C10H101180.0°60.0°
N7C8C10H10254.7°60.0°
N7C8C10H10354.8°180.0°
H7N7C8C922.1°30.0°
H7N7C8C10101.1°90.0°
H7N7C8H8141.2°150.0°
N11C12C13H121125.3°120.0°
N11C12C13H122125.3°120.0°
N11C12H121H122115.7°119.9°
N11C12C13H131180.0°180.0°
N11C12C13H13254.8°60.0°
N11C12C13H13354.8°60.0°
H11N11C12C1375.7°0.0°
H11N11C12H12149.6°120.1°
H11N11C12H122159.1°120.0°
C13C12H121H122115.6°120.0°
C12C13H131H132125.3°120.0°
C12C13H131H133125.3°120.0°
C12C13H132H133115.7°120.0°
H121C12C13H13154.7°60.0°
H121C12C13H132180.0°60.1°
H121C12C13H13370.5°180.0°
H122C12C13H13154.7°60.0°
H122C12C13H13270.5°180.0°
H122C12C13H133179.9°60.0°
H131C13H132H133115.6°120.0°
C9C8C10H8119.1°120.0°
C8C9H91H92125.3°120.0°
C8C9H91H93125.3°120.1°
C8C9H92H93117.7°120.1°
C9C8C10H10156.4°60.0°
C9C8C10H10268.8°180.0°
C9C8C10H103178.3°60.0°
C10C8C9H9155.3°60.0°
C10C8C9H92179.5°180.0°
C10C8C9H9370.0°60.0°
C8C10H101H102125.2°120.0°
C8C10H101H103125.2°120.0°
C8C10H102H103117.0°120.0°
H8C8C9H9162.5°60.0°
H8C8C9H9262.7°60.0°
H8C8C9H93172.1°180.0°
H8C8C10H10162.7°180.0°
H8C8C10H102172.0°60.0°
H8C8C10H10362.5°60.0°
H91C9H92H93117.7°119.9°
H101C10H102H103117.1°120.0°
NDCADCDHA'1125.2°120.0°
NDCADCDHA'2125.2°119.9°
NDCADHA'1HA'2119.1°120.0°
NDCADCDOD155.8°0.0°
NDCADCDOT'6.0°180.0°
HN'NDCADCD139.5°0.0°
HN'NDCADHA'195.3°120.0°
HN'NDCADHA'214.2°120.0°
CDCADHA'1HA'2119.1°120.0°
CADCDODOT'146.5°180.0°
CADCDOT'HO'180.0°180.0°
HA'1CADCDOD79.0°120.0°
HA'1CADCDOT'131.3°60.0°
HA'2CADCDOD30.6°119.9°
HA'2CADCDOT'119.2°60.1°
ODCDOT'HO'30.7°0.0°

223790

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