AD2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P1 | OP1 | doub | 1.50Å | 1.49Å | |
P1 | OP2 | sing | 1.62Å | 1.49Å | |
P1 | O5' | sing | 1.62Å | 1.59Å | |
P1 | OP3 | sing | 1.62Å | 66.97Å | |
OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
O5' | C5' | sing | 1.42Å | 1.43Å | |
P2 | O5P | sing | 1.62Å | 1.49Å | |
P2 | O4P | doub | 1.50Å | 1.48Å | |
P2 | O6P | sing | 1.62Å | 1.52Å | |
P2 | O3' | sing | 1.61Å | 1.61Å | |
O5P | HOP5 | sing | 0.98Å | 0.95Å | |
O6P | HOP6 | sing | 0.98Å | 0.95Å | |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C1' | sing | 1.46Å | 1.46Å | |
C4 | N3 | doub | 1.34Å | 1.34Å | Aromatic |
C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
N3 | C2 | sing | 1.35Å | 1.33Å | Aromatic |
C2 | N1 | doub | 1.35Å | 1.34Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N1 | C6 | sing | 1.35Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.41Å | 1.33Å | |
C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
N6 | H61 | sing | 1.00Å | 1.02Å | |
N6 | H62 | sing | 1.00Å | 1.02Å | |
C5 | N7 | sing | 1.37Å | 1.39Å | Aromatic |
N7 | C8 | doub | 1.32Å | 1.31Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C2' | C1' | sing | 1.52Å | 1.52Å | |
C2' | C3' | sing | 1.51Å | 1.52Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.10Å | 1.12Å | |
C5' | C4' | sing | 1.52Å | 1.51Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.45Å | |
C4' | C3' | sing | 1.52Å | 1.53Å | |
C4' | H4' | sing | 1.10Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
C3' | O3' | sing | 1.41Å | 1.43Å | |
C3' | H3' | sing | 1.10Å | 1.12Å | |
OP3 | HOP3 | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OP1 | P1 | OP2 | 119.6° | 115.3° |
OP1 | P1 | O5' | 108.3° | 115.0° |
OP1 | P1 | OP3 | 45.7° | 115.0° |
OP2 | P1 | O5' | 108.5° | 103.7° |
OP2 | P1 | OP3 | 100.6° | 103.3° |
P1 | OP2 | HOP2 | 119.7° | 118.9° |
O5' | P1 | OP3 | 77.5° | 102.9° |
P1 | O5' | C5' | 120.7° | 118.5° |
P1 | OP3 | HOP3 | 45.7° | 118.9° |
O5' | C5' | C4' | 109.8° | 108.7° |
O5' | C5' | H5'1 | 112.1° | 109.2° |
O5' | C5' | H5'2 | 112.1° | 109.2° |
O5P | P2 | O4P | 119.5° | 115.2° |
O5P | P2 | O6P | 108.7° | 103.3° |
O5P | P2 | O3' | 107.2° | 103.8° |
P2 | O5P | HOP5 | 119.5° | 118.9° |
O4P | P2 | O6P | 108.4° | 115.0° |
O4P | P2 | O3' | 107.8° | 115.1° |
O6P | P2 | O3' | 104.2° | 102.6° |
P2 | O6P | HOP6 | 108.7° | 118.9° |
P2 | O3' | C3' | 119.1° | 118.2° |
C4 | N9 | C8 | 105.8° | 106.8° |
C4 | N9 | C1' | 127.2° | 127.0° |
N9 | C4 | N3 | 127.6° | 127.5° |
N9 | C4 | C5 | 105.7° | 105.3° |
C8 | N9 | C1' | 127.0° | 126.2° |
N9 | C8 | N7 | 113.8° | 112.3° |
N9 | C8 | H8 | 125.2° | 122.1° |
N9 | C1' | C2' | 112.9° | 113.8° |
N9 | C1' | O4' | 107.8° | 109.4° |
N9 | C1' | H1' | 107.4° | 105.1° |
N3 | C4 | C5 | 126.7° | 127.2° |
C4 | N3 | C2 | 110.6° | 110.4° |
C4 | C5 | C6 | 117.1° | 116.9° |
C4 | C5 | N7 | 110.8° | 110.7° |
N3 | C2 | N1 | 129.3° | 128.8° |
N3 | C2 | H2 | 115.0° | 115.6° |
N1 | C2 | H2 | 115.7° | 115.6° |
C2 | N1 | C6 | 118.5° | 117.5° |
N1 | C6 | N6 | 118.8° | 120.2° |
N1 | C6 | C5 | 117.7° | 119.1° |
N6 | C6 | C5 | 123.5° | 120.7° |
C6 | N6 | H61 | 108.9° | 119.4° |
C6 | N6 | H62 | 118.8° | 119.4° |
C6 | C5 | N7 | 132.1° | 132.4° |
H61 | N6 | H62 | 108.9° | 120.9° |
C5 | N7 | C8 | 103.9° | 104.8° |
N7 | C8 | H8 | 121.0° | 125.5° |
C1' | C2' | C3' | 103.7° | 103.2° |
C1' | C2' | H2'1 | 114.4° | 114.1° |
C1' | C2' | H2'2 | 114.4° | 110.0° |
C2' | C1' | O4' | 106.6° | 107.7° |
C2' | C1' | H1' | 108.6° | 111.7° |
C3' | C2' | H2'1 | 114.4° | 112.8° |
C3' | C2' | H2'2 | 114.4° | 109.9° |
C2' | C3' | C4' | 104.0° | 101.8° |
C2' | C3' | O3' | 111.7° | 111.3° |
C2' | C3' | H3' | 112.5° | 110.2° |
H2'1 | C2' | H2'2 | 96.1° | 106.8° |
C4' | C5' | H5'1 | 112.1° | 110.1° |
C4' | C5' | H5'2 | 112.1° | 110.1° |
C5' | C4' | O4' | 109.0° | 109.7° |
C5' | C4' | C3' | 112.1° | 113.6° |
C5' | C4' | H4' | 107.2° | 108.6° |
H5'1 | C5' | H5'2 | 98.3° | 109.6° |
O4' | C4' | C3' | 106.5° | 105.5° |
O4' | C4' | H4' | 112.6° | 108.2° |
C4' | O4' | C1' | 110.7° | 108.1° |
C3' | C4' | H4' | 109.6° | 111.1° |
C4' | C3' | O3' | 112.1° | 112.4° |
C4' | C3' | H3' | 112.1° | 111.5° |
O4' | C1' | H1' | 113.7° | 109.1° |
O3' | C3' | H3' | 104.6° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OP1 | P1 | OP2 | O5' | 124.9° | 126.6° |
OP1 | P1 | OP2 | OP3 | 44.7° | 126.3° |
OP1 | P1 | O5' | OP3 | 34.2° | 125.8° |
OP1 | P1 | OP2 | HOP2 | 180.0° | 48.8° |
OP1 | P1 | O5' | C5' | 40.8° | 180.0° |
OP1 | P1 | OP3 | HOP3 | 180.0° | 48.1° |
OP2 | P1 | O5' | OP3 | 97.2° | 107.4° |
OP2 | P1 | O5' | C5' | 172.1° | 53.2° |
OP2 | P1 | OP3 | HOP3 | 58.6° | 78.4° |
O5' | P1 | OP2 | HOP2 | 55.1° | 175.4° |
P1 | O5' | C5' | C4' | 161.3° | 180.0° |
P1 | O5' | C5' | H5'1 | 73.5° | 59.9° |
P1 | O5' | C5' | H5'2 | 36.0° | 59.9° |
O5' | P1 | OP3 | HOP3 | 48.1° | 173.9° |
OP3 | P1 | OP2 | HOP2 | 135.3° | 77.5° |
OP3 | P1 | O5' | C5' | 74.9° | 54.2° |
O5' | C5' | C4' | H5'1 | 125.3° | 119.6° |
O5' | C5' | C4' | H5'2 | 125.3° | 119.5° |
O5' | C5' | H5'1 | H5'2 | 118.0° | 119.5° |
O5' | C5' | C4' | O4' | 75.1° | 61.8° |
O5' | C5' | C4' | C3' | 42.6° | 179.5° |
O5' | C5' | C4' | H4' | 162.8° | 56.3° |
O5P | P2 | O4P | O6P | 125.2° | 120.1° |
O5P | P2 | O4P | O3' | 122.6° | 120.9° |
O5P | P2 | O6P | O3' | 114.1° | 107.8° |
O5P | P2 | O6P | HOP6 | 180.0° | 78.5° |
O5P | P2 | O3' | C3' | 27.6° | 173.1° |
O4P | P2 | O6P | O3' | 114.6° | 125.8° |
O4P | P2 | O5P | HOP5 | 180.0° | 48.8° |
O4P | P2 | O6P | HOP6 | 48.7° | 48.0° |
O4P | P2 | O3' | C3' | 102.3° | 60.0° |
O6P | P2 | O5P | HOP5 | 55.0° | 77.4° |
O6P | P2 | O3' | C3' | 142.8° | 65.7° |
O3' | P2 | O5P | HOP5 | 57.1° | 175.7° |
O3' | P2 | O6P | HOP6 | 65.9° | 173.8° |
P2 | O3' | C3' | C2' | 98.6° | 60.0° |
P2 | O3' | C3' | C4' | 145.1° | 173.4° |
P2 | O3' | C3' | H3' | 23.4° | 62.1° |
C4 | N9 | C8 | C1' | 179.1° | 180.0° |
N9 | C4 | N3 | C5 | 179.4° | 179.9° |
N9 | C4 | N3 | C2 | 179.2° | 180.0° |
N9 | C4 | C5 | C6 | 179.1° | 180.0° |
N9 | C4 | C5 | N7 | 0.8° | 0.0° |
C4 | N9 | C8 | N7 | 0.9° | 0.0° |
C4 | N9 | C8 | H8 | 179.1° | 180.0° |
C4 | N9 | C1' | C2' | 179.2° | 92.5° |
C4 | N9 | C1' | O4' | 63.4° | 147.0° |
C4 | N9 | C1' | H1' | 59.5° | 29.9° |
C8 | N9 | C4 | N3 | 179.5° | 179.9° |
C8 | N9 | C4 | C5 | 1.0° | 0.0° |
N9 | C8 | N7 | C5 | 0.4° | 0.0° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
C8 | N9 | C1' | C2' | 0.3° | 87.5° |
C8 | N9 | C1' | O4' | 117.8° | 33.0° |
C8 | N9 | C1' | H1' | 119.4° | 150.0° |
C1' | N9 | C4 | N3 | 1.4° | 0.1° |
C1' | N9 | C4 | C5 | 178.1° | 180.0° |
C1' | N9 | C8 | N7 | 178.2° | 180.0° |
C1' | N9 | C8 | H8 | 1.8° | 0.0° |
N9 | C1' | C2' | O4' | 118.1° | 121.4° |
N9 | C1' | C2' | H1' | 119.0° | 118.8° |
N9 | C1' | C2' | C3' | 145.7° | 102.8° |
N9 | C1' | C2' | H2'1 | 20.5° | 20.0° |
N9 | C1' | C2' | H2'2 | 89.0° | 140.0° |
N9 | C1' | O4' | C4' | 137.6° | 128.8° |
N9 | C1' | O4' | H1' | 118.9° | 114.5° |
C4 | N3 | C2 | N1 | 0.1° | 0.0° |
C4 | N3 | C2 | H2 | 179.9° | 180.0° |
N3 | C4 | C5 | C6 | 0.4° | 0.1° |
N3 | C4 | C5 | N7 | 179.7° | 180.0° |
C5 | C4 | N3 | C2 | 0.2° | 0.1° |
C4 | C5 | C6 | N1 | 0.3° | 0.1° |
C4 | C5 | C6 | N6 | 179.7° | 180.0° |
C4 | C5 | C6 | N7 | 179.9° | 180.0° |
C4 | C5 | N7 | C8 | 0.2° | 0.0° |
N3 | C2 | N1 | H2 | 180.0° | 180.0° |
N3 | C2 | N1 | C6 | 0.1° | 0.1° |
C2 | N1 | C6 | N6 | 179.9° | 180.0° |
C2 | N1 | C6 | C5 | 0.0° | 0.1° |
H2 | C2 | N1 | C6 | 179.9° | 180.0° |
N1 | C6 | N6 | C5 | 179.9° | 179.9° |
N1 | C6 | N6 | H61 | 54.8° | 94.6° |
N1 | C6 | N6 | H62 | 180.0° | 91.6° |
N1 | C6 | C5 | N7 | 179.8° | 180.0° |
C6 | N6 | H61 | H62 | 130.8° | 173.7° |
N6 | C6 | C5 | N7 | 0.2° | 0.0° |
C5 | C6 | N6 | H61 | 125.3° | 85.4° |
C5 | C6 | N6 | H62 | 0.1° | 88.4° |
C6 | C5 | N7 | C8 | 179.7° | 180.0° |
C5 | N7 | C8 | H8 | 179.6° | 180.0° |
C1' | C2' | C3' | H2'1 | 125.3° | 123.7° |
C1' | C2' | C3' | H2'2 | 125.3° | 117.3° |
C1' | C2' | H2'1 | H2'2 | 120.3° | 121.8° |
C2' | C1' | O4' | C4' | 16.2° | 4.6° |
C1' | C2' | C3' | C4' | 28.0° | 33.0° |
C2' | C1' | O4' | H1' | 119.6° | 121.4° |
C1' | C2' | C3' | O3' | 93.1° | 152.9° |
C1' | C2' | C3' | H3' | 149.6° | 85.5° |
C3' | C2' | H2'1 | H2'2 | 120.3° | 120.9° |
C2' | C3' | C4' | C5' | 99.9° | 157.2° |
C2' | C3' | C4' | O4' | 19.2° | 37.0° |
C2' | C3' | C4' | O3' | 120.8° | 119.2° |
C2' | C3' | C4' | H3' | 121.9° | 117.5° |
C2' | C3' | C4' | H4' | 141.3° | 80.0° |
C3' | C2' | C1' | O4' | 27.6° | 18.6° |
C3' | C2' | C1' | H1' | 95.2° | 138.4° |
C2' | C3' | O3' | H3' | 122.0° | 122.1° |
H2'1 | C2' | C3' | C4' | 97.2° | 156.6° |
H2'1 | C2' | C1' | O4' | 97.6° | 141.4° |
H2'1 | C2' | C1' | H1' | 139.5° | 98.8° |
H2'1 | C2' | C3' | O3' | 141.7° | 83.4° |
H2'1 | C2' | C3' | H3' | 24.4° | 38.2° |
H2'2 | C2' | C3' | C4' | 153.3° | 84.3° |
H2'2 | C2' | C1' | O4' | 152.9° | 98.6° |
H2'2 | C2' | C1' | H1' | 30.1° | 21.2° |
H2'2 | C2' | C3' | O3' | 32.2° | 35.7° |
H2'2 | C2' | C3' | H3' | 85.1° | 157.3° |
C4' | C5' | H5'1 | H5'2 | 118.0° | 121.2° |
C5' | C4' | O4' | C3' | 121.1° | 122.8° |
C5' | C4' | O4' | H4' | 118.8° | 118.3° |
C5' | C4' | C3' | H4' | 118.8° | 122.8° |
C5' | C4' | O4' | C1' | 119.1° | 148.9° |
C5' | C4' | C3' | O3' | 139.3° | 83.6° |
C5' | C4' | C3' | H3' | 22.0° | 39.7° |
H5'1 | C5' | C4' | O4' | 50.2° | 57.8° |
H5'1 | C5' | C4' | C3' | 167.8° | 60.0° |
H5'1 | C5' | C4' | H4' | 71.9° | 175.9° |
H5'2 | C5' | C4' | O4' | 159.7° | 178.7° |
H5'2 | C5' | C4' | C3' | 82.7° | 60.9° |
H5'2 | C5' | C4' | H4' | 37.5° | 63.3° |
O4' | C4' | C3' | H4' | 122.1° | 117.0° |
C4' | O4' | C1' | H1' | 103.4° | 116.8° |
O4' | C4' | C3' | O3' | 101.6° | 156.2° |
O4' | C4' | C3' | H3' | 141.1° | 80.5° |
C3' | C4' | O4' | C1' | 2.0° | 26.2° |
C4' | C3' | O3' | H3' | 121.7° | 124.5° |
H4' | C4' | O4' | C1' | 122.1° | 92.8° |
H4' | C4' | C3' | O3' | 20.5° | 39.2° |
H4' | C4' | C3' | H3' | 96.8° | 162.5° |