AET
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OP1 | doub | 1.48Å | 1.48Å | |
P | OP2 | sing | 1.61Å | 1.47Å | |
P | OP3 | sing | 1.61Å | 1.60Å | |
P | O5' | sing | 1.61Å | 1.61Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.45Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
C5' | H5' | sing | 1.09Å | 1.11Å | |
C5' | H5'' | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.47Å | |
C4' | C3' | sing | 1.54Å | 1.54Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.43Å | |
C3' | O3' | sing | 1.43Å | 1.45Å | |
C3' | C2' | sing | 1.55Å | 1.51Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.51Å | |
C2' | C1' | sing | 1.54Å | 1.52Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.47Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.39Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.35Å | 1.39Å | Aromatic |
C5 | C6 | sing | 1.40Å | 1.45Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
C6 | N6 | sing | 1.39Å | 1.39Å | |
C6 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
N6 | CM6 | sing | 1.46Å | 1.40Å | |
N6 | C10 | sing | 1.35Å | 1.40Å | |
CM6 | HM61 | sing | 1.09Å | 1.12Å | |
CM6 | HM62 | sing | 1.09Å | 1.11Å | |
CM6 | HM63 | sing | 1.09Å | 1.11Å | |
N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
C10 | O10 | doub | 1.22Å | 1.27Å | |
C10 | N11 | sing | 1.35Å | 1.34Å | |
N11 | C12 | sing | 1.46Å | 1.47Å | |
N11 | HN1 | sing | 0.97Å | 1.02Å | |
C12 | C13 | sing | 1.51Å | 1.54Å | |
C12 | C14 | sing | 1.53Å | 1.57Å | |
C12 | H12 | sing | 1.09Å | 1.11Å | |
C13 | ODA | doub | 1.21Å | 1.24Å | |
C13 | ODB | sing | 1.34Å | 1.25Å | |
ODB | H13 | sing | 0.97Å | 0.95Å | |
C14 | O14 | sing | 1.43Å | 1.43Å | |
C14 | C15 | sing | 1.53Å | 1.55Å | |
C14 | H14 | sing | 1.09Å | 1.12Å | |
O14 | HO4 | sing | 0.97Å | 0.95Å | |
C15 | H151 | sing | 1.09Å | 1.12Å | |
C15 | H152 | sing | 1.09Å | 1.12Å | |
C15 | H153 | sing | 1.09Å | 1.11Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P | OP2 | 114.5° | 109.5° |
OP1 | P | OP3 | 110.1° | 109.5° |
OP1 | P | O5' | 108.0° | 109.5° |
OP2 | P | OP3 | 110.6° | 109.5° |
OP2 | P | O5' | 111.6° | 109.4° |
P | OP2 | HOP2 | 114.5° | 106.8° |
OP3 | P | O5' | 101.2° | 109.4° |
P | OP3 | HOP3 | 110.1° | 106.9° |
P | O5' | C5' | 117.1° | 106.8° |
O5' | C5' | C4' | 110.7° | 109.5° |
O5' | C5' | H5' | 111.8° | 109.4° |
O5' | C5' | H5'' | 111.8° | 109.5° |
C4' | C5' | H5' | 111.7° | 109.5° |
C4' | C5' | H5'' | 111.7° | 109.5° |
C5' | C4' | O4' | 104.8° | 110.4° |
C5' | C4' | C3' | 113.3° | 110.5° |
C5' | C4' | H4' | 109.5° | 110.4° |
H5' | C5' | H5'' | 98.7° | 109.5° |
O4' | C4' | C3' | 107.6° | 104.8° |
O4' | C4' | H4' | 115.0° | 110.3° |
C4' | O4' | C1' | 110.1° | 105.3° |
C3' | C4' | H4' | 106.8° | 110.4° |
C4' | C3' | O3' | 127.2° | 110.5° |
C4' | C3' | C2' | 105.3° | 104.1° |
C4' | C3' | H3' | 97.3° | 110.5° |
O4' | C1' | C2' | 107.9° | 104.9° |
O4' | C1' | N9 | 112.8° | 110.4° |
O4' | C1' | H1' | 110.0° | 110.4° |
O3' | C3' | C2' | 95.0° | 110.5° |
O3' | C3' | H3' | 107.2° | 110.5° |
C3' | O3' | HO3' | 127.2° | 106.8° |
C2' | C3' | H3' | 128.4° | 110.6° |
C3' | C2' | O2' | 109.8° | 110.5° |
C3' | C2' | C1' | 107.6° | 104.0° |
C3' | C2' | H2' | 109.0° | 110.5° |
O2' | C2' | C1' | 104.4° | 110.8° |
O2' | C2' | H2' | 111.9° | 110.4° |
C2' | O2' | HO2' | 109.8° | 106.8° |
C1' | C2' | H2' | 114.0° | 110.4° |
C2' | C1' | N9 | 113.9° | 110.4° |
C2' | C1' | H1' | 108.6° | 110.3° |
N9 | C1' | H1' | 103.4° | 110.4° |
C1' | N9 | C8 | 124.5° | 126.3° |
C1' | N9 | C4 | 129.1° | 126.2° |
C8 | N9 | C4 | 106.4° | 107.4° |
N9 | C8 | N7 | 114.0° | 110.0° |
N9 | C8 | H8 | 125.0° | 124.9° |
N9 | C4 | C5 | 104.6° | 106.0° |
N9 | C4 | N3 | 127.4° | 135.0° |
N7 | C8 | H8 | 121.0° | 125.0° |
C8 | N7 | C5 | 103.9° | 109.5° |
N7 | C5 | C6 | 132.8° | 134.7° |
N7 | C5 | C4 | 111.1° | 107.1° |
C6 | C5 | C4 | 116.1° | 118.2° |
C5 | C6 | N6 | 123.3° | 120.8° |
C5 | C6 | N1 | 116.6° | 118.4° |
C5 | C4 | N3 | 128.0° | 119.1° |
N6 | C6 | N1 | 120.1° | 120.8° |
C6 | N6 | CM6 | 119.9° | 120.0° |
C6 | N6 | C10 | 123.6° | 120.0° |
C6 | N1 | C2 | 120.1° | 121.2° |
CM6 | N6 | C10 | 116.5° | 120.0° |
N6 | CM6 | HM61 | 119.8° | 109.5° |
N6 | CM6 | HM62 | 108.5° | 109.5° |
N6 | CM6 | HM63 | 108.4° | 109.5° |
N6 | C10 | O10 | 121.1° | 120.0° |
N6 | C10 | N11 | 118.0° | 120.0° |
HM61 | CM6 | HM62 | 108.5° | 109.4° |
HM61 | CM6 | HM63 | 108.5° | 109.4° |
HM62 | CM6 | HM63 | 101.6° | 109.5° |
N1 | C2 | N3 | 127.9° | 122.5° |
N1 | C2 | H2 | 116.2° | 118.7° |
N3 | C2 | H2 | 115.9° | 118.8° |
C2 | N3 | C4 | 111.2° | 120.6° |
O10 | C10 | N11 | 120.9° | 119.9° |
C10 | N11 | C12 | 121.9° | 120.1° |
C10 | N11 | HN1 | 114.2° | 120.0° |
C12 | N11 | HN1 | 123.9° | 120.0° |
N11 | C12 | C13 | 112.1° | 109.5° |
N11 | C12 | C14 | 110.7° | 109.5° |
N11 | C12 | H12 | 107.2° | 109.4° |
C13 | C12 | C14 | 110.5° | 109.5° |
C13 | C12 | H12 | 107.3° | 109.5° |
C12 | C13 | ODA | 119.0° | 120.0° |
C12 | C13 | ODB | 117.8° | 120.0° |
C14 | C12 | H12 | 108.9° | 109.5° |
C12 | C14 | O14 | 116.7° | 109.5° |
C12 | C14 | C15 | 121.0° | 109.5° |
C12 | C14 | H14 | 92.7° | 109.5° |
ODA | C13 | ODB | 123.2° | 120.0° |
C13 | ODB | H13 | 117.8° | 120.0° |
O14 | C14 | C15 | 103.3° | 109.5° |
O14 | C14 | H14 | 114.2° | 109.5° |
C14 | O14 | HO4 | 116.6° | 106.8° |
C15 | C14 | H14 | 109.0° | 109.4° |
C14 | C15 | H151 | 121.0° | 109.5° |
C14 | C15 | H152 | 108.1° | 109.5° |
C14 | C15 | H153 | 108.1° | 109.4° |
H151 | C15 | H152 | 108.0° | 109.5° |
H151 | C15 | H153 | 108.1° | 109.5° |
H152 | C15 | H153 | 101.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P | OP2 | OP3 | 125.1° | 120.1° |
OP1 | P | OP2 | O5' | 123.1° | 120.0° |
OP1 | P | OP3 | O5' | 114.1° | 120.0° |
OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
OP1 | P | OP3 | HOP3 | 180.0° | 180.0° |
OP1 | P | O5' | C5' | 177.1° | 60.0° |
OP2 | P | OP3 | O5' | 118.3° | 119.9° |
OP2 | P | OP3 | HOP3 | 52.5° | 60.0° |
OP2 | P | O5' | C5' | 50.5° | 180.0° |
OP3 | P | OP2 | HOP2 | 54.9° | 60.0° |
OP3 | P | O5' | C5' | 67.2° | 60.1° |
O5' | P | OP2 | HOP2 | 56.9° | 180.0° |
O5' | P | OP3 | HOP3 | 65.9° | 60.0° |
P | O5' | C5' | C4' | 146.1° | 180.0° |
P | O5' | C5' | H5' | 20.9° | 60.0° |
P | O5' | C5' | H5'' | 88.7° | 60.0° |
O5' | C5' | C4' | H5' | 125.2° | 120.0° |
O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
O5' | C5' | H5' | H5'' | 117.7° | 120.0° |
O5' | C5' | C4' | O4' | 63.8° | 61.5° |
O5' | C5' | C4' | C3' | 53.2° | 176.9° |
O5' | C5' | C4' | H4' | 172.3° | 60.8° |
C4' | C5' | H5' | H5'' | 117.7° | 120.0° |
C5' | C4' | O4' | C3' | 120.9° | 119.0° |
C5' | C4' | O4' | H4' | 120.3° | 122.2° |
C5' | C4' | C3' | H4' | 120.6° | 122.3° |
C5' | C4' | O4' | C1' | 130.7° | 159.5° |
C5' | C4' | C3' | O3' | 133.2° | 98.4° |
C5' | C4' | C3' | C2' | 118.1° | 142.9° |
C5' | C4' | C3' | H3' | 15.1° | 24.2° |
H5' | C5' | C4' | O4' | 171.0° | 178.6° |
H5' | C5' | C4' | C3' | 72.0° | 63.1° |
H5' | C5' | C4' | H4' | 47.1° | 59.2° |
H5'' | C5' | C4' | O4' | 61.5° | 58.6° |
H5'' | C5' | C4' | C3' | 178.5° | 56.9° |
H5'' | C5' | C4' | H4' | 62.4° | 179.2° |
O4' | C4' | C3' | H4' | 124.0° | 118.8° |
O4' | C4' | C3' | O3' | 111.5° | 142.8° |
O4' | C4' | C3' | C2' | 2.7° | 24.1° |
O4' | C4' | C3' | H3' | 130.5° | 94.7° |
C4' | O4' | C1' | C2' | 13.0° | 40.4° |
C4' | O4' | C1' | N9 | 139.8° | 159.3° |
C4' | O4' | C1' | H1' | 105.4° | 78.4° |
C3' | C4' | O4' | C1' | 9.9° | 40.5° |
C4' | C3' | O3' | C2' | 113.6° | 114.7° |
C4' | C3' | O3' | H3' | 113.6° | 122.6° |
C4' | C3' | C2' | H3' | 112.6° | 118.7° |
C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
C4' | C3' | C2' | O2' | 117.9° | 118.8° |
C4' | C3' | C2' | C1' | 4.9° | 0.2° |
C4' | C3' | C2' | H2' | 119.2° | 118.7° |
H4' | C4' | O4' | C1' | 108.9° | 78.3° |
H4' | C4' | C3' | O3' | 12.5° | 24.0° |
H4' | C4' | C3' | C2' | 121.3° | 94.7° |
H4' | C4' | C3' | H3' | 105.6° | 146.6° |
O4' | C1' | C2' | C3' | 11.0° | 23.8° |
O4' | C1' | C2' | O2' | 127.6° | 142.6° |
O4' | C1' | C2' | N9 | 126.1° | 118.9° |
O4' | C1' | C2' | H1' | 119.3° | 118.8° |
O4' | C1' | C2' | H2' | 110.0° | 94.8° |
O4' | C1' | N9 | H1' | 118.8° | 122.3° |
O4' | C1' | N9 | C8 | 33.5° | 27.0° |
O4' | C1' | N9 | C4 | 145.2° | 152.9° |
O3' | C3' | C2' | H3' | 116.6° | 122.6° |
O3' | C3' | C2' | O2' | 12.9° | 0.2° |
O3' | C3' | C2' | C1' | 125.9° | 118.8° |
O3' | C3' | C2' | H2' | 110.0° | 122.7° |
C2' | C3' | O3' | HO3' | 66.4° | 65.3° |
C3' | C2' | O2' | C1' | 115.0° | 114.8° |
C3' | C2' | O2' | H2' | 121.2° | 122.6° |
C3' | C2' | C1' | H2' | 121.0° | 118.6° |
C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
C3' | C2' | C1' | N9 | 137.1° | 142.7° |
C3' | C2' | C1' | H1' | 108.2° | 95.0° |
H3' | C3' | O3' | HO3' | 66.4° | 57.4° |
H3' | C3' | C2' | O2' | 129.5° | 122.5° |
H3' | C3' | C2' | C1' | 117.5° | 118.5° |
H3' | C3' | C2' | H2' | 6.6° | 0.0° |
O2' | C2' | C1' | H2' | 122.4° | 122.7° |
O2' | C2' | C1' | N9 | 106.3° | 98.5° |
O2' | C2' | C1' | H1' | 8.4° | 23.7° |
C1' | C2' | O2' | HO2' | 64.9° | 176.2° |
C2' | C1' | N9 | H1' | 117.7° | 122.2° |
C2' | C1' | N9 | C8 | 90.0° | 88.5° |
C2' | C1' | N9 | C4 | 91.3° | 91.5° |
H2' | C2' | O2' | HO2' | 58.8° | 61.1° |
H2' | C2' | C1' | N9 | 16.1° | 24.1° |
H2' | C2' | C1' | H1' | 130.8° | 146.4° |
C1' | N9 | C8 | C4 | 179.0° | 180.0° |
C1' | N9 | C8 | N7 | 179.0° | 180.0° |
C1' | N9 | C8 | H8 | 1.0° | 0.0° |
C1' | N9 | C4 | C5 | 179.1° | 179.8° |
C1' | N9 | C4 | N3 | 1.6° | 0.0° |
H1' | C1' | N9 | C8 | 152.3° | 149.3° |
H1' | C1' | N9 | C4 | 26.4° | 30.7° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.2° | 0.2° |
C8 | N9 | C4 | C5 | 0.2° | 0.2° |
C8 | N9 | C4 | N3 | 179.5° | 180.0° |
C4 | N9 | C8 | N7 | 0.0° | 0.0° |
C4 | N9 | C8 | H8 | 180.0° | 180.0° |
N9 | C4 | C5 | N7 | 0.3° | 0.4° |
N9 | C4 | C5 | C6 | 179.2° | 179.7° |
N9 | C4 | C5 | N3 | 179.3° | 179.8° |
N9 | C4 | N3 | C2 | 180.0° | 180.0° |
C8 | N7 | C5 | C6 | 179.0° | 179.6° |
C8 | N7 | C5 | C4 | 0.3° | 0.4° |
H8 | C8 | N7 | C5 | 179.8° | 179.8° |
N7 | C5 | C6 | C4 | 178.6° | 179.1° |
N7 | C5 | C6 | N6 | 0.3° | 0.7° |
N7 | C5 | C6 | N1 | 180.0° | 179.6° |
N7 | C5 | C4 | N3 | 179.6° | 179.8° |
C5 | C6 | N6 | N1 | 179.8° | 179.7° |
C5 | C6 | N6 | CM6 | 0.5° | 0.3° |
C5 | C6 | N6 | C10 | 179.7° | 179.7° |
C5 | C6 | N1 | C2 | 0.9° | 0.2° |
C6 | C5 | C4 | N3 | 1.5° | 0.5° |
C4 | C5 | C6 | N6 | 178.9° | 179.8° |
C4 | C5 | C6 | N1 | 1.4° | 0.5° |
C5 | C4 | N3 | C2 | 0.9° | 0.2° |
C6 | N6 | CM6 | C10 | 179.3° | 180.0° |
C6 | N6 | CM6 | HM61 | 180.0° | 174.6° |
C6 | N6 | CM6 | HM62 | 54.8° | 54.6° |
C6 | N6 | CM6 | HM63 | 54.8° | 65.4° |
N6 | C6 | N1 | C2 | 179.3° | 180.0° |
C6 | N6 | C10 | O10 | 179.2° | 5.8° |
C6 | N6 | C10 | N11 | 1.2° | 174.2° |
N1 | C6 | N6 | CM6 | 179.7° | 180.0° |
N1 | C6 | N6 | C10 | 0.5° | 0.0° |
C6 | N1 | C2 | N3 | 0.4° | 0.0° |
C6 | N1 | C2 | H2 | 179.6° | 180.0° |
N6 | CM6 | HM61 | HM62 | 125.3° | 120.1° |
N6 | CM6 | HM61 | HM63 | 125.2° | 120.0° |
N6 | CM6 | HM62 | HM63 | 114.1° | 120.0° |
CM6 | N6 | C10 | O10 | 0.1° | 174.1° |
CM6 | N6 | C10 | N11 | 179.5° | 5.8° |
C10 | N6 | CM6 | HM61 | 0.8° | 5.4° |
C10 | N6 | CM6 | HM62 | 124.5° | 125.4° |
C10 | N6 | CM6 | HM63 | 126.0° | 114.6° |
N6 | C10 | O10 | N11 | 179.6° | 179.9° |
N6 | C10 | N11 | C12 | 179.5° | 175.0° |
N6 | C10 | N11 | HN1 | 0.5° | 5.0° |
HM61 | CM6 | HM62 | HM63 | 114.2° | 119.9° |
N1 | C2 | N3 | H2 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.3° | 0.0° |
H2 | C2 | N3 | C4 | 179.7° | 179.9° |
O10 | C10 | N11 | C12 | 0.1° | 5.0° |
O10 | C10 | N11 | HN1 | 179.9° | 175.0° |
C10 | N11 | C12 | HN1 | 180.0° | 180.0° |
C10 | N11 | C12 | C13 | 142.1° | 90.0° |
C10 | N11 | C12 | C14 | 94.1° | 150.0° |
C10 | N11 | C12 | H12 | 24.5° | 30.0° |
N11 | C12 | C13 | C14 | 124.0° | 120.0° |
N11 | C12 | C13 | H12 | 117.5° | 119.9° |
N11 | C12 | C14 | H12 | 117.6° | 119.9° |
N11 | C12 | C13 | ODA | 161.3° | 150.0° |
N11 | C12 | C13 | ODB | 19.4° | 30.1° |
N11 | C12 | C14 | O14 | 49.9° | 60.1° |
N11 | C12 | C14 | C15 | 77.1° | 60.0° |
N11 | C12 | C14 | H14 | 168.8° | 180.0° |
HN1 | N11 | C12 | C13 | 37.9° | 90.1° |
HN1 | N11 | C12 | C14 | 85.9° | 30.0° |
HN1 | N11 | C12 | H12 | 155.5° | 149.9° |
C13 | C12 | C14 | H12 | 117.6° | 120.1° |
C12 | C13 | ODA | ODB | 179.3° | 180.0° |
C12 | C13 | ODB | H13 | 180.0° | 180.0° |
C13 | C12 | C14 | O14 | 74.9° | 60.0° |
C13 | C12 | C14 | C15 | 158.1° | 180.0° |
C13 | C12 | C14 | H14 | 44.0° | 60.0° |
C14 | C12 | C13 | ODA | 37.3° | 90.0° |
C14 | C12 | C13 | ODB | 143.3° | 90.0° |
C12 | C14 | O14 | C15 | 135.3° | 120.0° |
C12 | C14 | O14 | H14 | 106.5° | 120.0° |
C12 | C14 | C15 | H14 | 105.4° | 120.0° |
C12 | C14 | O14 | HO4 | 179.9° | 60.0° |
C12 | C14 | C15 | H151 | 179.9° | 180.0° |
C12 | C14 | C15 | H152 | 54.8° | 59.9° |
C12 | C14 | C15 | H153 | 54.7° | 60.0° |
H12 | C12 | C13 | ODA | 81.3° | 30.0° |
H12 | C12 | C13 | ODB | 98.1° | 150.0° |
H12 | C12 | C14 | O14 | 167.5° | 180.0° |
H12 | C12 | C14 | C15 | 40.5° | 59.9° |
H12 | C12 | C14 | H14 | 73.6° | 60.0° |
ODA | C13 | ODB | H13 | 0.7° | 0.0° |
O14 | C14 | C15 | H14 | 121.8° | 120.0° |
O14 | C14 | C15 | H151 | 47.2° | 60.0° |
O14 | C14 | C15 | H152 | 172.4° | 180.0° |
O14 | C14 | C15 | H153 | 78.1° | 60.0° |
C15 | C14 | O14 | HO4 | 44.8° | 60.0° |
C14 | C15 | H151 | H152 | 125.2° | 120.0° |
C14 | C15 | H151 | H153 | 125.3° | 120.0° |
C14 | C15 | H152 | H153 | 113.8° | 120.0° |
H14 | C14 | O14 | HO4 | 73.4° | 180.0° |
H14 | C14 | C15 | H151 | 74.6° | 60.0° |
H14 | C14 | C15 | H152 | 50.6° | 60.0° |
H14 | C14 | C15 | H153 | 160.1° | 180.0° |
H151 | C15 | H152 | H153 | 113.7° | 120.0° |