NEI
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C52 | C51 | sing | 1.53Å | 1.53Å | |
C52 | H521 | sing | 1.09Å | 1.10Å | |
C52 | H522 | sing | 1.09Å | 1.10Å | |
C52 | H523 | sing | 1.09Å | 1.10Å | |
C51 | N5' | sing | 1.46Å | 1.47Å | |
C51 | H511 | sing | 1.09Å | 1.10Å | |
C51 | H512 | sing | 1.09Å | 1.10Å | |
N5' | C5' | sing | 1.35Å | 1.33Å | |
N5' | HN5' | sing | 0.97Å | 1.00Å | |
C5' | O5' | doub | 1.21Å | 1.23Å | |
C5' | C4' | sing | 1.51Å | 1.53Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | C3' | sing | 1.55Å | 1.53Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.44Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.53Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C1' | sing | 1.54Å | 1.53Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | N9 | sing | 1.46Å | 1.48Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N7 | C5 | sing | 1.36Å | 1.33Å | Aromatic |
C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
C2 | I2 | sing | 2.09Å | 2.09Å | |
C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.33Å | |
N6 | HN61 | sing | 0.97Å | 1.00Å | |
N6 | HN62 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C51 | C52 | H521 | 109.4° | 109.5° |
C51 | C52 | H522 | 109.4° | 109.5° |
C51 | C52 | H523 | 109.5° | 109.5° |
C52 | C51 | N5' | 106.8° | 109.4° |
C52 | C51 | H511 | 110.9° | 109.4° |
C52 | C51 | H512 | 110.4° | 109.5° |
H521 | C52 | H522 | 109.5° | 109.5° |
H521 | C52 | H523 | 109.5° | 109.4° |
H522 | C52 | H523 | 109.5° | 109.5° |
N5' | C51 | H511 | 110.9° | 109.5° |
N5' | C51 | H512 | 110.4° | 109.5° |
C51 | N5' | C5' | 121.0° | 120.0° |
C51 | N5' | HN5' | 119.5° | 120.0° |
H511 | C51 | H512 | 107.4° | 109.5° |
C5' | N5' | HN5' | 119.5° | 120.0° |
N5' | C5' | O5' | 124.0° | 120.0° |
N5' | C5' | C4' | 117.9° | 120.0° |
O5' | C5' | C4' | 118.1° | 120.0° |
C5' | C4' | O4' | 110.8° | 110.6° |
C5' | C4' | C3' | 110.3° | 110.6° |
C5' | C4' | H4' | 107.0° | 110.6° |
O4' | C4' | C3' | 106.4° | 103.6° |
O4' | C4' | H4' | 110.9° | 110.6° |
C4' | O4' | C1' | 107.2° | 107.0° |
C3' | C4' | H4' | 111.4° | 110.6° |
C4' | C3' | O3' | 108.6° | 111.2° |
C4' | C3' | C2' | 97.5° | 102.0° |
C4' | C3' | H3' | 117.5° | 110.8° |
O4' | C1' | C2' | 105.4° | 107.3° |
O4' | C1' | N9 | 109.5° | 109.9° |
O4' | C1' | H1' | 112.1° | 109.9° |
O3' | C3' | C2' | 109.9° | 110.9° |
O3' | C3' | H3' | 106.6° | 110.7° |
C3' | O3' | HO3' | 109.5° | 106.8° |
C2' | C3' | H3' | 116.4° | 110.9° |
C3' | C2' | O2' | 109.8° | 110.4° |
C3' | C2' | C1' | 99.7° | 104.2° |
C3' | C2' | H2' | 115.4° | 110.5° |
O2' | C2' | C1' | 109.4° | 110.5° |
O2' | C2' | H2' | 106.6° | 110.4° |
C2' | O2' | HO2' | 109.5° | 106.8° |
C1' | C2' | H2' | 115.8° | 110.5° |
C2' | C1' | N9 | 109.5° | 110.0° |
C2' | C1' | H1' | 112.1° | 109.8° |
N9 | C1' | H1' | 108.2° | 109.9° |
C1' | N9 | C8 | 129.3° | 126.2° |
C1' | N9 | C4 | 123.0° | 126.3° |
C8 | N9 | C4 | 107.8° | 107.4° |
N9 | C8 | N7 | 109.3° | 109.9° |
N9 | C8 | H8 | 125.4° | 125.1° |
N9 | C4 | C5 | 108.0° | 106.1° |
N9 | C4 | N3 | 131.8° | 134.9° |
N7 | C8 | H8 | 125.3° | 125.0° |
C8 | N7 | C5 | 108.4° | 109.4° |
N7 | C5 | C4 | 106.5° | 107.1° |
N7 | C5 | C6 | 135.1° | 134.7° |
C4 | C5 | C6 | 118.4° | 118.2° |
C5 | C4 | N3 | 120.3° | 119.1° |
C5 | C6 | N1 | 119.3° | 118.4° |
C5 | C6 | N6 | 120.4° | 120.8° |
C4 | N3 | C2 | 120.0° | 120.6° |
N3 | C2 | I2 | 117.1° | 118.7° |
N3 | C2 | N1 | 121.4° | 122.4° |
I2 | C2 | N1 | 121.5° | 118.8° |
C2 | N1 | C6 | 120.7° | 121.2° |
N1 | C6 | N6 | 120.3° | 120.8° |
C6 | N6 | HN61 | 109.5° | 120.0° |
C6 | N6 | HN62 | 109.5° | 120.0° |
HN61 | N6 | HN62 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C51 | C52 | H521 | H522 | 120.0° | 120.0° |
C51 | C52 | H521 | H523 | 120.0° | 120.0° |
C51 | C52 | H522 | H523 | 120.0° | 120.0° |
C52 | C51 | N5' | H511 | 121.0° | 120.0° |
C52 | C51 | N5' | H512 | 120.0° | 120.0° |
C52 | C51 | H511 | H512 | 120.7° | 120.0° |
C52 | C51 | N5' | C5' | 62.2° | 180.0° |
C52 | C51 | N5' | HN5' | 117.8° | 0.0° |
H521 | C52 | H522 | H523 | 120.0° | 119.9° |
H521 | C52 | C51 | N5' | 10.9° | 60.0° |
H521 | C52 | C51 | H511 | 110.1° | 180.0° |
H521 | C52 | C51 | H512 | 130.9° | 60.0° |
H522 | C52 | C51 | N5' | 109.1° | 180.0° |
H522 | C52 | C51 | H511 | 129.9° | 60.0° |
H522 | C52 | C51 | H512 | 10.9° | 60.0° |
H523 | C52 | C51 | N5' | 130.9° | 60.0° |
H523 | C52 | C51 | H511 | 9.9° | 60.0° |
H523 | C52 | C51 | H512 | 109.1° | 180.0° |
N5' | C51 | H511 | H512 | 120.7° | 120.0° |
C51 | N5' | C5' | HN5' | 180.0° | 180.0° |
C51 | N5' | C5' | O5' | 1.1° | 0.0° |
C51 | N5' | C5' | C4' | 179.1° | 180.0° |
H511 | C51 | N5' | C5' | 176.8° | 60.0° |
H511 | C51 | N5' | HN5' | 3.2° | 120.0° |
H512 | C51 | N5' | C5' | 57.9° | 60.0° |
H512 | C51 | N5' | HN5' | 122.1° | 120.0° |
N5' | C5' | O5' | C4' | 179.8° | 179.9° |
N5' | C5' | C4' | O4' | 112.6° | 178.6° |
N5' | C5' | C4' | C3' | 129.8° | 67.2° |
N5' | C5' | C4' | H4' | 8.4° | 55.7° |
HN5' | N5' | C5' | O5' | 178.9° | 180.0° |
HN5' | N5' | C5' | C4' | 0.8° | 0.1° |
O5' | C5' | C4' | O4' | 67.6° | 1.4° |
O5' | C5' | C4' | C3' | 50.0° | 112.8° |
O5' | C5' | C4' | H4' | 171.4° | 124.3° |
C5' | C4' | O4' | C3' | 120.0° | 118.6° |
C5' | C4' | O4' | H4' | 118.7° | 122.9° |
C5' | C4' | C3' | H4' | 118.7° | 122.9° |
C5' | C4' | O4' | C1' | 137.9° | 158.5° |
C5' | C4' | C3' | O3' | 84.8° | 86.3° |
C5' | C4' | C3' | C2' | 161.2° | 155.4° |
C5' | C4' | C3' | H3' | 36.2° | 37.3° |
O4' | C4' | C3' | H4' | 121.0° | 118.5° |
O4' | C4' | C3' | O3' | 154.9° | 155.1° |
O4' | C4' | C3' | C2' | 40.9° | 36.8° |
O4' | C4' | C3' | H3' | 84.1° | 81.3° |
C4' | O4' | C1' | C2' | 13.1° | 26.5° |
C4' | O4' | C1' | N9 | 104.6° | 146.1° |
C4' | O4' | C1' | H1' | 135.3° | 92.9° |
C3' | C4' | O4' | C1' | 17.9° | 40.0° |
C4' | C3' | O3' | C2' | 105.5° | 112.8° |
C4' | C3' | O3' | H3' | 127.5° | 123.6° |
C4' | C3' | C2' | H3' | 125.8° | 118.0° |
C4' | C3' | O3' | HO3' | 163.9° | 67.2° |
C4' | C3' | C2' | O2' | 68.4° | 98.0° |
C4' | C3' | C2' | C1' | 46.4° | 20.7° |
C4' | C3' | C2' | H2' | 171.1° | 139.5° |
H4' | C4' | O4' | C1' | 103.4° | 78.5° |
H4' | C4' | C3' | O3' | 33.9° | 36.6° |
H4' | C4' | C3' | C2' | 80.1° | 81.7° |
H4' | C4' | C3' | H3' | 154.9° | 160.1° |
O4' | C1' | C2' | C3' | 38.5° | 2.2° |
O4' | C1' | C2' | O2' | 76.6° | 120.8° |
O4' | C1' | C2' | N9 | 117.7° | 119.5° |
O4' | C1' | C2' | H1' | 122.2° | 119.4° |
O4' | C1' | C2' | H2' | 162.9° | 116.6° |
O4' | C1' | N9 | H1' | 122.4° | 121.1° |
O4' | C1' | N9 | C8 | 14.7° | 23.5° |
O4' | C1' | N9 | C4 | 164.2° | 156.8° |
O3' | C3' | C2' | H3' | 121.3° | 123.5° |
O3' | C3' | C2' | O2' | 44.5° | 20.4° |
O3' | C3' | C2' | C1' | 159.3° | 139.2° |
O3' | C3' | C2' | H2' | 76.0° | 102.1° |
C2' | C3' | O3' | HO3' | 58.4° | 180.0° |
C3' | C2' | O2' | C1' | 108.5° | 114.8° |
C3' | C2' | O2' | H2' | 125.6° | 122.6° |
C3' | C2' | C1' | H2' | 124.4° | 118.8° |
C3' | C2' | O2' | HO2' | 169.3° | 65.2° |
C3' | C2' | C1' | N9 | 79.2° | 121.7° |
C3' | C2' | C1' | H1' | 160.7° | 117.3° |
H3' | C3' | O3' | HO3' | 68.6° | 56.4° |
H3' | C3' | C2' | O2' | 165.8° | 143.9° |
H3' | C3' | C2' | C1' | 79.4° | 97.4° |
H3' | C3' | C2' | H2' | 45.3° | 21.4° |
O2' | C2' | C1' | H2' | 120.4° | 122.6° |
O2' | C2' | C1' | N9 | 165.6° | 119.7° |
O2' | C2' | C1' | H1' | 45.6° | 1.4° |
C1' | C2' | O2' | HO2' | 82.2° | 180.0° |
C2' | C1' | N9 | H1' | 122.4° | 121.0° |
C2' | C1' | N9 | C8 | 100.5° | 94.4° |
C2' | C1' | N9 | C4 | 80.6° | 85.3° |
H2' | C2' | O2' | HO2' | 43.6° | 57.4° |
H2' | C2' | C1' | N9 | 45.2° | 2.9° |
H2' | C2' | C1' | H1' | 74.9° | 124.0° |
C1' | N9 | C8 | C4 | 179.0° | 179.8° |
C1' | N9 | C8 | N7 | 178.8° | 180.0° |
C1' | N9 | C8 | H8 | 1.2° | 0.0° |
C1' | N9 | C4 | C5 | 178.8° | 179.8° |
C1' | N9 | C4 | N3 | 1.1° | 0.8° |
H1' | C1' | N9 | C8 | 137.1° | 144.6° |
H1' | C1' | N9 | C4 | 41.8° | 35.7° |
N9 | C8 | N7 | H8 | 180.0° | 180.0° |
N9 | C8 | N7 | C5 | 0.0° | 0.0° |
C8 | N9 | C4 | C5 | 0.4° | 0.4° |
C8 | N9 | C4 | N3 | 179.8° | 179.5° |
C4 | N9 | C8 | N7 | 0.2° | 0.3° |
C4 | N9 | C8 | H8 | 179.8° | 179.7° |
N9 | C4 | C5 | N7 | 0.3° | 0.4° |
N9 | C4 | C5 | N3 | 179.9° | 179.2° |
N9 | C4 | C5 | C6 | 179.7° | 179.8° |
N9 | C4 | N3 | C2 | 179.9° | 179.6° |
C8 | N7 | C5 | C4 | 0.2° | 0.3° |
C8 | N7 | C5 | C6 | 179.9° | 180.0° |
H8 | C8 | N7 | C5 | 180.0° | 180.0° |
N7 | C5 | C4 | C6 | 179.9° | 179.8° |
N7 | C5 | C4 | N3 | 179.7° | 179.6° |
N7 | C5 | C6 | N1 | 179.7° | 180.0° |
N7 | C5 | C6 | N6 | 0.0° | 0.1° |
C5 | C4 | N3 | C2 | 0.0° | 0.6° |
C4 | C5 | C6 | N1 | 0.2° | 0.2° |
C4 | C5 | C6 | N6 | 179.9° | 179.7° |
C6 | C5 | C4 | N3 | 0.2° | 0.6° |
C5 | C6 | N1 | C2 | 0.0° | 0.1° |
C5 | C6 | N1 | N6 | 179.7° | 179.9° |
C5 | C6 | N6 | HN61 | 132.6° | 0.1° |
C5 | C6 | N6 | HN62 | 12.6° | 180.0° |
C4 | N3 | C2 | I2 | 177.0° | 179.7° |
C4 | N3 | C2 | N1 | 0.3° | 0.3° |
N3 | C2 | I2 | N1 | 177.3° | 180.0° |
N3 | C2 | N1 | C6 | 0.3° | 0.0° |
I2 | C2 | N1 | C6 | 176.9° | 180.0° |
C2 | N1 | C6 | N6 | 179.7° | 179.9° |
N1 | C6 | N6 | HN61 | 47.1° | 180.0° |
N1 | C6 | N6 | HN62 | 167.1° | 0.1° |
C6 | N6 | HN61 | HN62 | 120.0° | 179.9° |