Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O1P | doub | 1.48Å | 1.46Å | |
P | O2P | sing | 1.61Å | 1.49Å | |
P | O3P | sing | 1.61Å | 1.62Å | |
P | O5' | sing | 1.61Å | 1.58Å | |
O2P | H2P | sing | 0.97Å | 0.95Å | |
O3P | H3P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.48Å | |
N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
N9 | C1' | sing | 1.46Å | 1.41Å | |
C4 | N3 | doub | 1.33Å | 1.30Å | Aromatic |
C4 | C5 | sing | 1.41Å | 1.37Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.10Å | |
N1 | C6 | sing | 1.33Å | 1.43Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.37Å | |
C6 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
C11 | N6 | sing | 1.47Å | 1.46Å | |
C11 | H111 | sing | 1.09Å | 1.11Å | |
C11 | H112 | sing | 1.09Å | 1.12Å | |
C11 | H113 | sing | 1.09Å | 1.12Å | |
N6 | H6 | sing | 0.97Å | 1.02Å | |
C5 | N7 | sing | 1.35Å | 1.41Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C2' | C1' | sing | 1.54Å | 1.51Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
C2' | H2'1 | sing | 1.09Å | 1.11Å | |
C2' | H2'2 | sing | 1.09Å | 1.12Å | |
C5' | C4' | sing | 1.53Å | 1.49Å | |
C5' | H5'1 | sing | 1.09Å | 1.11Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | O4' | sing | 1.44Å | 1.40Å | |
C4' | C3' | sing | 1.55Å | 1.48Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.44Å | 1.43Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
C3' | O3' | sing | 1.43Å | 1.40Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HA | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 134.5° | 109.5° |
O1P | P | O3P | 89.9° | 109.5° |
O1P | P | O5' | 111.6° | 109.4° |
O2P | P | O3P | 110.3° | 109.5° |
O2P | P | O5' | 105.6° | 109.5° |
P | O2P | H2P | 134.5° | 106.8° |
O3P | P | O5' | 97.8° | 109.5° |
P | O3P | H3P | 89.9° | 106.8° |
P | O5' | C5' | 122.1° | 106.8° |
O5' | C5' | C4' | 101.2° | 109.5° |
O5' | C5' | H5'1 | 115.4° | 109.5° |
O5' | C5' | H5'2 | 115.4° | 109.4° |
C4 | N9 | C8 | 105.1° | 107.4° |
C4 | N9 | C1' | 128.9° | 126.3° |
N9 | C4 | N3 | 127.6° | 135.0° |
N9 | C4 | C5 | 107.7° | 106.0° |
C8 | N9 | C1' | 126.1° | 126.3° |
N9 | C8 | N7 | 113.8° | 110.0° |
N9 | C8 | H8 | 123.1° | 125.0° |
N9 | C1' | C2' | 109.8° | 109.9° |
N9 | C1' | O4' | 115.5° | 109.9° |
N9 | C1' | H1' | 109.1° | 109.9° |
N3 | C4 | C5 | 124.6° | 119.0° |
C4 | N3 | C2 | 115.2° | 120.7° |
C4 | C5 | C6 | 120.4° | 118.2° |
C4 | C5 | N7 | 109.9° | 107.1° |
N3 | C2 | N1 | 126.2° | 122.4° |
N3 | C2 | H2 | 116.9° | 118.8° |
N1 | C2 | H2 | 116.9° | 118.8° |
C2 | N1 | C6 | 117.7° | 121.2° |
N1 | C6 | N6 | 116.0° | 120.8° |
N1 | C6 | C5 | 115.5° | 118.4° |
N6 | C6 | C5 | 127.9° | 120.8° |
C6 | N6 | C11 | 106.3° | 120.0° |
C6 | N6 | H6 | 126.9° | 119.9° |
C6 | C5 | N7 | 129.7° | 134.7° |
N6 | C11 | H111 | 106.3° | 109.4° |
N6 | C11 | H112 | 113.4° | 109.5° |
N6 | C11 | H113 | 113.4° | 109.5° |
C11 | N6 | H6 | 126.9° | 120.0° |
H111 | C11 | H112 | 113.4° | 109.5° |
H111 | C11 | H113 | 113.4° | 109.5° |
H112 | C11 | H113 | 97.1° | 109.5° |
C5 | N7 | C8 | 103.5° | 109.4° |
N7 | C8 | H8 | 123.1° | 125.0° |
C1' | C2' | C3' | 103.6° | 104.2° |
C1' | C2' | H2'1 | 114.4° | 110.5° |
C1' | C2' | H2'2 | 114.4° | 110.5° |
C2' | C1' | O4' | 104.2° | 107.4° |
C2' | C1' | H1' | 109.0° | 109.9° |
C3' | C2' | H2'1 | 114.4° | 110.5° |
C3' | C2' | H2'2 | 114.4° | 110.5° |
C2' | C3' | C4' | 105.5° | 102.1° |
C2' | C3' | O3' | 112.5° | 110.9° |
C2' | C3' | H3' | 106.9° | 110.9° |
H2'1 | C2' | H2'2 | 96.1° | 110.5° |
C4' | C5' | H5'1 | 115.4° | 109.5° |
C4' | C5' | H5'2 | 115.4° | 109.5° |
C5' | C4' | O4' | 104.4° | 110.8° |
C5' | C4' | C3' | 116.9° | 110.6° |
C5' | C4' | H4' | 109.2° | 110.5° |
H5'1 | C5' | H5'2 | 95.1° | 109.4° |
O4' | C4' | C3' | 107.7° | 103.6° |
O4' | C4' | H4' | 109.2° | 110.5° |
C4' | O4' | C1' | 110.4° | 106.9° |
C3' | C4' | H4' | 109.2° | 110.6° |
C4' | C3' | O3' | 117.6° | 111.0° |
C4' | C3' | H3' | 106.9° | 110.9° |
O4' | C1' | H1' | 109.0° | 109.9° |
O3' | C3' | H3' | 106.9° | 110.8° |
C3' | O3' | HA | 117.6° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O3P | 111.2° | 120.0° |
O1P | P | O2P | O5' | 144.0° | 120.0° |
O1P | P | O3P | O5' | 111.8° | 120.0° |
O1P | P | O2P | H2P | 180.0° | 60.1° |
O1P | P | O3P | H3P | 180.0° | 180.0° |
O1P | P | O5' | C5' | 45.5° | 55.0° |
O2P | P | O3P | O5' | 109.9° | 120.0° |
O2P | P | O3P | H3P | 41.7° | 60.0° |
O2P | P | O5' | C5' | 161.2° | 175.0° |
O3P | P | O2P | H2P | 68.8° | 60.0° |
O3P | P | O5' | C5' | 47.5° | 65.0° |
O5' | P | O2P | H2P | 35.9° | 180.0° |
O5' | P | O3P | H3P | 68.2° | 60.0° |
P | O5' | C5' | C4' | 143.8° | 180.0° |
P | O5' | C5' | H5'1 | 18.5° | 59.9° |
P | O5' | C5' | H5'2 | 90.9° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 121.2° | 119.9° |
O5' | C5' | C4' | O4' | 93.2° | 70.7° |
O5' | C5' | C4' | C3' | 25.6° | 175.0° |
O5' | C5' | C4' | H4' | 150.2° | 52.2° |
C4 | N9 | C8 | C1' | 179.4° | 180.0° |
N9 | C4 | N3 | C5 | 174.8° | 179.7° |
N9 | C4 | N3 | C2 | 179.8° | 180.0° |
N9 | C4 | C5 | C6 | 176.2° | 179.6° |
N9 | C4 | C5 | N7 | 3.2° | 0.4° |
C4 | N9 | C8 | N7 | 1.3° | 0.0° |
C4 | N9 | C8 | H8 | 178.7° | 180.0° |
C4 | N9 | C1' | C2' | 132.5° | 85.4° |
C4 | N9 | C1' | O4' | 110.0° | 156.7° |
C4 | N9 | C1' | H1' | 13.1° | 35.7° |
C8 | N9 | C4 | N3 | 178.2° | 180.0° |
C8 | N9 | C4 | C5 | 2.7° | 0.3° |
N9 | C8 | N7 | C5 | 0.6° | 0.3° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
C8 | N9 | C1' | C2' | 46.8° | 94.7° |
C8 | N9 | C1' | O4' | 70.7° | 23.3° |
C8 | N9 | C1' | H1' | 166.2° | 144.3° |
C1' | N9 | C4 | N3 | 1.2° | 0.1° |
C1' | N9 | C4 | C5 | 176.7° | 179.8° |
C1' | N9 | C8 | N7 | 178.1° | 180.0° |
C1' | N9 | C8 | H8 | 1.9° | 0.0° |
N9 | C1' | C2' | O4' | 124.3° | 119.5° |
N9 | C1' | C2' | H1' | 119.4° | 121.0° |
N9 | C1' | C2' | C3' | 152.3° | 121.4° |
N9 | C1' | C2' | H2'1 | 82.4° | 119.9° |
N9 | C1' | C2' | H2'2 | 27.1° | 2.7° |
N9 | C1' | O4' | C4' | 149.1° | 145.8° |
N9 | C1' | O4' | H1' | 123.2° | 121.0° |
C4 | N3 | C2 | N1 | 6.4° | 0.0° |
C4 | N3 | C2 | H2 | 173.6° | 179.9° |
N3 | C4 | C5 | C6 | 0.6° | 0.6° |
N3 | C4 | C5 | N7 | 178.9° | 179.8° |
C5 | C4 | N3 | C2 | 5.4° | 0.3° |
C4 | C5 | C6 | N1 | 3.6° | 0.6° |
C4 | C5 | C6 | N6 | 174.5° | 179.7° |
C4 | C5 | C6 | N7 | 179.4° | 179.0° |
C4 | C5 | N7 | C8 | 2.3° | 0.4° |
N3 | C2 | N1 | H2 | 180.0° | 179.9° |
N3 | C2 | N1 | C6 | 2.3° | 0.0° |
C2 | N1 | C6 | N6 | 174.8° | 180.0° |
C2 | N1 | C6 | C5 | 2.8° | 0.3° |
H2 | C2 | N1 | C6 | 177.7° | 179.9° |
N1 | C6 | N6 | C5 | 170.8° | 179.7° |
N1 | C6 | N6 | C11 | 177.2° | 0.0° |
N1 | C6 | N6 | H6 | 2.8° | 180.0° |
N1 | C6 | C5 | N7 | 177.0° | 179.5° |
C6 | N6 | C11 | H6 | 180.0° | 180.0° |
C6 | N6 | C11 | H111 | 180.0° | 60.0° |
C6 | N6 | C11 | H112 | 54.7° | 180.0° |
C6 | N6 | C11 | H113 | 54.7° | 60.0° |
N6 | C6 | C5 | N7 | 6.1° | 0.7° |
C5 | C6 | N6 | C11 | 6.4° | 179.7° |
C5 | C6 | N6 | H6 | 173.6° | 0.3° |
C6 | C5 | N7 | C8 | 177.1° | 179.5° |
N6 | C11 | H111 | H112 | 125.3° | 120.0° |
N6 | C11 | H111 | H113 | 125.2° | 120.0° |
N6 | C11 | H112 | H113 | 119.3° | 120.0° |
H111 | C11 | H112 | H113 | 119.3° | 120.0° |
H111 | C11 | N6 | H6 | 0.0° | 120.0° |
H112 | C11 | N6 | H6 | 125.3° | 0.0° |
H113 | C11 | N6 | H6 | 125.3° | 120.0° |
C5 | N7 | C8 | H8 | 179.4° | 179.7° |
C1' | C2' | C3' | H2'1 | 125.2° | 118.7° |
C1' | C2' | C3' | H2'2 | 125.3° | 118.7° |
C1' | C2' | H2'1 | H2'2 | 120.3° | 122.6° |
C2' | C1' | O4' | C4' | 28.6° | 26.3° |
C1' | C2' | C3' | C4' | 18.6° | 20.8° |
C2' | C1' | O4' | H1' | 116.3° | 119.5° |
C1' | C2' | C3' | O3' | 110.9° | 139.1° |
C1' | C2' | C3' | H3' | 132.1° | 97.3° |
C3' | C2' | H2'1 | H2'2 | 120.3° | 122.6° |
C2' | C3' | C4' | C5' | 115.0° | 155.7° |
C2' | C3' | C4' | O4' | 2.1° | 36.9° |
C2' | C3' | C4' | O3' | 126.3° | 118.2° |
C2' | C3' | C4' | H3' | 113.6° | 118.2° |
C2' | C3' | C4' | H4' | 120.5° | 81.5° |
C3' | C2' | C1' | O4' | 28.1° | 2.0° |
C3' | C2' | C1' | H1' | 88.2° | 117.5° |
C2' | C3' | O3' | H3' | 117.0° | 123.7° |
C2' | C3' | O3' | HA | 57.1° | 61.5° |
H2'1 | C2' | C3' | C4' | 143.8° | 97.9° |
H2'1 | C2' | C1' | O4' | 153.3° | 120.7° |
H2'1 | C2' | C1' | H1' | 37.0° | 1.1° |
H2'1 | C2' | C3' | O3' | 14.4° | 20.4° |
H2'1 | C2' | C3' | H3' | 102.6° | 144.0° |
H2'2 | C2' | C3' | C4' | 106.7° | 139.6° |
H2'2 | C2' | C1' | O4' | 97.2° | 116.7° |
H2'2 | C2' | C1' | H1' | 146.5° | 123.7° |
H2'2 | C2' | C3' | O3' | 123.9° | 102.2° |
H2'2 | C2' | C3' | H3' | 6.8° | 21.4° |
C4' | C5' | H5'1 | H5'2 | 121.2° | 120.0° |
C5' | C4' | O4' | C3' | 124.9° | 118.7° |
C5' | C4' | O4' | H4' | 116.7° | 122.9° |
C5' | C4' | C3' | H4' | 124.5° | 122.8° |
C5' | C4' | O4' | C1' | 141.7° | 158.5° |
C5' | C4' | C3' | O3' | 118.7° | 86.1° |
C5' | C4' | C3' | H3' | 1.4° | 37.5° |
H5'1 | C5' | C4' | O4' | 32.1° | 169.3° |
H5'1 | C5' | C4' | C3' | 150.9° | 55.0° |
H5'1 | C5' | C4' | H4' | 84.6° | 67.9° |
H5'2 | C5' | C4' | O4' | 141.5° | 49.3° |
H5'2 | C5' | C4' | C3' | 99.7° | 65.0° |
H5'2 | C5' | C4' | H4' | 24.9° | 172.1° |
O4' | C4' | C3' | H4' | 118.5° | 118.4° |
C4' | O4' | C1' | H1' | 87.7° | 93.2° |
O4' | C4' | C3' | O3' | 124.3° | 155.2° |
O4' | C4' | C3' | H3' | 115.6° | 81.3° |
C3' | C4' | O4' | C1' | 16.8° | 39.9° |
C4' | C3' | O3' | H3' | 120.1° | 123.6° |
C4' | C3' | O3' | HA | 180.0° | 174.2° |
H4' | C4' | O4' | C1' | 101.7° | 78.6° |
H4' | C4' | C3' | O3' | 5.8° | 36.7° |
H4' | C4' | C3' | H3' | 125.9° | 160.3° |
H3' | C3' | O3' | HA | 59.9° | 62.2° |