IMU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O1P | sing | 1.61Å | 1.48Å | |
P | O2P | doub | 1.48Å | 1.47Å | |
P | O3P | sing | 1.61Å | 1.48Å | |
P | O5' | sing | 1.61Å | 1.53Å | |
C2 | N1 | sing | 1.36Å | 1.41Å | Aromatic |
C2 | N2 | sing | 1.37Å | 1.34Å | |
C2 | N3 | doub | 1.31Å | 1.37Å | Aromatic |
O1P | HO1P | sing | 0.97Å | 0.95Å | |
O3P | HO3P | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.41Å | |
C5' | C4' | sing | 1.53Å | 1.47Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
C4' | N4' | sing | 1.49Å | 1.42Å | |
C4' | C3' | sing | 1.54Å | 1.49Å | |
C4' | H4' | sing | 1.09Å | 1.12Å | |
N4' | C1' | sing | 1.48Å | 1.42Å | |
N4' | HN4' | sing | 1.01Å | 1.02Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | C2' | sing | 1.54Å | 1.50Å | |
C3' | H3' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C1' | sing | 1.54Å | 1.56Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | C9 | sing | 1.51Å | 1.53Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
C9 | C8 | doub | 1.35Å | 1.41Å | Aromatic |
C9 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
C8 | N7 | sing | 1.36Å | 1.30Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
N7 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
N7 | HN7 | sing | 0.97Å | 1.02Å | |
C5 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
C6 | O6 | doub | 1.22Å | 1.23Å | |
C6 | N1 | sing | 1.35Å | 1.41Å | Aromatic |
N1 | HN1 | sing | 0.97Å | 1.02Å | |
N2 | HN21 | sing | 0.97Å | 1.02Å | |
N2 | HN22 | sing | 0.97Å | 1.02Å | |
N3 | C4 | sing | 1.35Å | 1.39Å | Aromatic |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 114.0° | 109.5° |
O1P | P | O3P | 109.9° | 109.4° |
O1P | P | O5' | 107.7° | 109.5° |
P | O1P | HO1P | 114.0° | 106.8° |
O2P | P | O3P | 112.7° | 109.5° |
O2P | P | O5' | 110.6° | 109.4° |
O3P | P | O5' | 101.0° | 109.5° |
P | O3P | HO3P | 109.9° | 106.8° |
P | O5' | C5' | 127.8° | 106.8° |
N1 | C2 | N2 | 117.5° | 119.1° |
N1 | C2 | N3 | 122.7° | 121.8° |
C2 | N1 | C6 | 124.3° | 120.5° |
C2 | N1 | HN1 | 118.2° | 119.8° |
N2 | C2 | N3 | 119.8° | 119.1° |
C2 | N2 | HN21 | 117.5° | 120.0° |
C2 | N2 | HN22 | 109.3° | 120.0° |
C2 | N3 | C4 | 113.7° | 121.0° |
O5' | C5' | C4' | 106.3° | 109.6° |
O5' | C5' | H5'1 | 113.4° | 109.5° |
O5' | C5' | H5'2 | 113.4° | 109.5° |
C4' | C5' | H5'1 | 113.4° | 109.5° |
C4' | C5' | H5'2 | 113.4° | 109.4° |
C5' | C4' | N4' | 110.7° | 110.4° |
C5' | C4' | C3' | 109.0° | 110.6° |
C5' | C4' | H4' | 109.1° | 110.3° |
H5'1 | C5' | H5'2 | 97.1° | 109.4° |
N4' | C4' | C3' | 109.9° | 104.6° |
N4' | C4' | H4' | 108.2° | 110.4° |
C4' | N4' | C1' | 113.2° | 104.3° |
C4' | N4' | HN4' | 110.9° | 106.7° |
C3' | C4' | H4' | 110.0° | 110.4° |
C4' | C3' | O3' | 107.4° | 110.3° |
C4' | C3' | C2' | 102.9° | 105.1° |
C4' | C3' | H3' | 116.7° | 110.3° |
C1' | N4' | HN4' | 110.8° | 106.7° |
N4' | C1' | C2' | 102.6° | 104.7° |
N4' | C1' | C9 | 107.3° | 110.5° |
N4' | C1' | H1' | 114.8° | 110.4° |
O3' | C3' | C2' | 114.5° | 110.3° |
O3' | C3' | H3' | 105.7° | 110.3° |
C3' | O3' | HO3' | 107.4° | 106.8° |
C2' | C3' | H3' | 110.0° | 110.4° |
C3' | C2' | O2' | 111.9° | 110.3° |
C3' | C2' | C1' | 110.0° | 105.0° |
C3' | C2' | H2' | 107.6° | 110.3° |
O2' | C2' | C1' | 110.0° | 110.6° |
O2' | C2' | H2' | 107.6° | 110.3° |
C2' | O2' | HO2' | 111.9° | 106.8° |
C1' | C2' | H2' | 109.6° | 110.2° |
C2' | C1' | C9 | 108.6° | 110.5° |
C2' | C1' | H1' | 113.7° | 110.4° |
C9 | C1' | H1' | 109.4° | 110.3° |
C1' | C9 | C8 | 126.2° | 126.0° |
C1' | C9 | C4 | 130.4° | 126.1° |
C8 | C9 | C4 | 103.4° | 107.9° |
C9 | C8 | N7 | 115.5° | 109.5° |
C9 | C8 | H8 | 125.9° | 125.3° |
C9 | C4 | C5 | 106.2° | 106.6° |
C9 | C4 | N3 | 127.6° | 133.9° |
N7 | C8 | H8 | 118.6° | 125.3° |
C8 | N7 | C5 | 104.2° | 108.8° |
C8 | N7 | HN7 | 125.4° | 125.6° |
C5 | N7 | HN7 | 130.5° | 125.6° |
N7 | C5 | C6 | 129.3° | 134.0° |
N7 | C5 | C4 | 110.7° | 107.3° |
C6 | C5 | C4 | 120.0° | 118.7° |
C5 | C6 | O6 | 127.0° | 120.8° |
C5 | C6 | N1 | 113.1° | 118.5° |
C5 | C4 | N3 | 126.1° | 119.5° |
O6 | C6 | N1 | 119.9° | 120.8° |
C6 | N1 | HN1 | 117.5° | 119.8° |
HN21 | N2 | HN22 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O3P | 126.2° | 120.0° |
O1P | P | O2P | O5' | 121.6° | 120.0° |
O1P | P | O3P | O5' | 113.6° | 120.0° |
O1P | P | O3P | HO3P | 180.0° | 60.0° |
O1P | P | O5' | C5' | 32.9° | 180.0° |
O2P | P | O3P | O5' | 118.0° | 120.0° |
O2P | P | O1P | HO1P | 180.0° | 60.1° |
O2P | P | O3P | HO3P | 51.6° | 180.0° |
O2P | P | O5' | C5' | 92.4° | 60.0° |
O3P | P | O1P | HO1P | 52.3° | 60.0° |
O3P | P | O5' | C5' | 148.1° | 60.0° |
O5' | P | O1P | HO1P | 56.8° | 180.0° |
O5' | P | O3P | HO3P | 66.4° | 59.9° |
P | O5' | C5' | C4' | 138.0° | 180.0° |
P | O5' | C5' | H5'1 | 96.8° | 60.0° |
P | O5' | C5' | H5'2 | 12.7° | 60.0° |
N1 | C2 | N2 | N3 | 179.8° | 179.7° |
C2 | N1 | C6 | C5 | 0.4° | 0.5° |
C2 | N1 | C6 | O6 | 180.0° | 179.7° |
C2 | N1 | C6 | HN1 | 179.9° | 179.4° |
N1 | C2 | N2 | HN21 | 180.0° | 179.7° |
N1 | C2 | N2 | HN22 | 54.7° | 0.5° |
N1 | C2 | N3 | C4 | 0.6° | 0.3° |
N2 | C2 | N1 | C6 | 179.9° | 179.7° |
N2 | C2 | N1 | HN1 | 0.0° | 0.3° |
C2 | N2 | HN21 | HN22 | 125.3° | 179.8° |
N2 | C2 | N3 | C4 | 179.6° | 180.0° |
C2 | N3 | C4 | C9 | 179.9° | 179.9° |
C2 | N3 | C4 | C5 | 0.4° | 0.0° |
N3 | C2 | N1 | C6 | 0.2° | 0.6° |
N3 | C2 | N1 | HN1 | 179.8° | 180.0° |
N3 | C2 | N2 | HN21 | 0.2° | 0.0° |
N3 | C2 | N2 | HN22 | 125.1° | 179.8° |
O5' | C5' | C4' | H5'1 | 125.2° | 120.1° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 119.3° | 120.0° |
O5' | C5' | C4' | N4' | 54.0° | 61.4° |
O5' | C5' | C4' | C3' | 174.9° | 176.7° |
O5' | C5' | C4' | H4' | 64.9° | 60.9° |
C4' | C5' | H5'1 | H5'2 | 119.3° | 119.9° |
C5' | C4' | N4' | C3' | 120.4° | 119.0° |
C5' | C4' | N4' | H4' | 119.5° | 122.3° |
C5' | C4' | C3' | H4' | 119.6° | 122.4° |
C5' | C4' | N4' | C1' | 109.4° | 158.4° |
C5' | C4' | N4' | HN4' | 15.9° | 88.9° |
C5' | C4' | C3' | O3' | 129.3° | 98.3° |
C5' | C4' | C3' | C2' | 109.5° | 142.8° |
C5' | C4' | C3' | H3' | 11.0° | 23.8° |
H5'1 | C5' | C4' | N4' | 71.2° | 178.5° |
H5'1 | C5' | C4' | C3' | 49.7° | 63.3° |
H5'1 | C5' | C4' | H4' | 169.8° | 59.2° |
H5'2 | C5' | C4' | N4' | 179.3° | 58.6° |
H5'2 | C5' | C4' | C3' | 59.8° | 56.6° |
H5'2 | C5' | C4' | H4' | 60.3° | 179.1° |
N4' | C4' | C3' | H4' | 119.0° | 118.7° |
C4' | N4' | C1' | HN4' | 125.3° | 112.7° |
N4' | C4' | C3' | O3' | 109.2° | 142.8° |
N4' | C4' | C3' | C2' | 11.9° | 23.9° |
N4' | C4' | C3' | H3' | 132.4° | 95.1° |
C4' | N4' | C1' | C2' | 4.7° | 39.4° |
C4' | N4' | C1' | C9 | 109.7° | 158.3° |
C4' | N4' | C1' | H1' | 128.5° | 79.4° |
C3' | C4' | N4' | C1' | 11.0° | 39.4° |
C3' | C4' | N4' | HN4' | 136.3° | 152.1° |
C4' | C3' | O3' | C2' | 113.5° | 115.7° |
C4' | C3' | O3' | H3' | 125.3° | 122.1° |
C4' | C3' | C2' | H3' | 125.0° | 118.9° |
C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
C4' | C3' | C2' | O2' | 131.7° | 119.0° |
C4' | C3' | C2' | C1' | 9.1° | 0.2° |
C4' | C3' | C2' | H2' | 110.2° | 118.9° |
H4' | C4' | N4' | C1' | 131.1° | 79.3° |
H4' | C4' | N4' | HN4' | 103.6° | 33.4° |
H4' | C4' | C3' | O3' | 9.8° | 24.1° |
H4' | C4' | C3' | C2' | 130.9° | 94.8° |
H4' | C4' | C3' | H3' | 108.6° | 146.2° |
N4' | C1' | C2' | C3' | 3.2° | 23.7° |
N4' | C1' | C2' | O2' | 126.9° | 142.7° |
N4' | C1' | C2' | C9 | 113.4° | 118.9° |
N4' | C1' | C2' | H1' | 124.6° | 118.8° |
N4' | C1' | C2' | H2' | 115.0° | 95.1° |
N4' | C1' | C9 | H1' | 125.1° | 122.3° |
N4' | C1' | C9 | C8 | 15.9° | 27.0° |
N4' | C1' | C9 | C4 | 165.3° | 153.1° |
HN4' | N4' | C1' | C2' | 130.0° | 152.1° |
HN4' | N4' | C1' | C9 | 15.6° | 89.0° |
HN4' | N4' | C1' | H1' | 106.2° | 33.3° |
O3' | C3' | C2' | H3' | 118.8° | 122.2° |
O3' | C3' | C2' | O2' | 15.5° | 0.1° |
O3' | C3' | C2' | C1' | 107.1° | 119.1° |
O3' | C3' | C2' | H2' | 133.6° | 122.2° |
C2' | C3' | O3' | HO3' | 66.5° | 64.3° |
C3' | C2' | O2' | C1' | 122.6° | 115.7° |
C3' | C2' | O2' | H2' | 118.1° | 122.1° |
C3' | C2' | C1' | H2' | 118.2° | 118.8° |
C3' | C2' | O2' | HO2' | 180.0° | 61.5° |
C3' | C2' | C1' | C9 | 116.6° | 142.6° |
C3' | C2' | C1' | H1' | 121.4° | 95.1° |
H3' | C3' | O3' | HO3' | 54.7° | 57.9° |
H3' | C3' | C2' | O2' | 103.3° | 122.1° |
H3' | C3' | C2' | C1' | 134.1° | 118.7° |
H3' | C3' | C2' | H2' | 14.8° | 0.0° |
O2' | C2' | C1' | H2' | 118.2° | 122.2° |
O2' | C2' | C1' | C9 | 119.7° | 98.4° |
O2' | C2' | C1' | H1' | 2.3° | 23.9° |
C1' | C2' | O2' | HO2' | 57.4° | 177.2° |
C2' | C1' | C9 | H1' | 124.6° | 122.3° |
C2' | C1' | C9 | C8 | 94.4° | 88.4° |
C2' | C1' | C9 | C4 | 84.5° | 91.5° |
H2' | C2' | O2' | HO2' | 62.0° | 60.6° |
H2' | C2' | C1' | C9 | 1.5° | 23.8° |
H2' | C2' | C1' | H1' | 120.5° | 146.1° |
C1' | C9 | C8 | C4 | 179.1° | 179.9° |
C1' | C9 | C8 | N7 | 179.1° | 180.0° |
C1' | C9 | C8 | H8 | 1.0° | 0.0° |
C1' | C9 | C4 | C5 | 178.6° | 180.0° |
C1' | C9 | C4 | N3 | 0.9° | 0.1° |
H1' | C1' | C9 | C8 | 141.0° | 149.3° |
H1' | C1' | C9 | C4 | 40.2° | 30.8° |
C9 | C8 | N7 | H8 | 180.0° | 180.0° |
C9 | C8 | N7 | C5 | 0.4° | 0.0° |
C9 | C8 | N7 | HN7 | 179.6° | 179.9° |
C8 | C9 | C4 | C5 | 0.4° | 0.1° |
C8 | C9 | C4 | N3 | 179.9° | 180.0° |
C4 | C9 | C8 | N7 | 0.0° | 0.1° |
C4 | C9 | C8 | H8 | 180.0° | 180.0° |
C9 | C4 | C5 | N7 | 0.6° | 0.1° |
C9 | C4 | C5 | C6 | 179.4° | 180.0° |
C9 | C4 | C5 | N3 | 179.6° | 179.9° |
C8 | N7 | C5 | HN7 | 179.9° | 179.9° |
C8 | N7 | C5 | C6 | 179.4° | 180.0° |
C8 | N7 | C5 | C4 | 0.6° | 0.1° |
H8 | C8 | N7 | C5 | 179.7° | 180.0° |
H8 | C8 | N7 | HN7 | 0.4° | 0.1° |
N7 | C5 | C6 | C4 | 180.0° | 179.9° |
N7 | C5 | C6 | O6 | 0.1° | 0.1° |
N7 | C5 | C6 | N1 | 179.4° | 179.7° |
N7 | C5 | C4 | N3 | 179.8° | 180.0° |
HN7 | N7 | C5 | C6 | 0.6° | 0.2° |
HN7 | N7 | C5 | C4 | 179.3° | 179.9° |
C5 | C6 | O6 | N1 | 179.5° | 179.7° |
C5 | C6 | N1 | HN1 | 179.6° | 180.0° |
C6 | C5 | C4 | N3 | 0.2° | 0.1° |
C4 | C5 | C6 | O6 | 179.9° | 180.0° |
C4 | C5 | C6 | N1 | 0.5° | 0.2° |
O6 | C6 | N1 | HN1 | 0.0° | 0.3° |