A1IY6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.35Å | 1.48Å | |
| O03 | C02 | doub | 1.21Å | 1.21Å | |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| C04 | C06 | sing | 1.53Å | 1.55Å | |
| C04 | N05 | sing | 1.47Å | 1.49Å | |
| C06 | C07 | sing | 1.53Å | 1.56Å | |
| C07 | SE8 | sing | 1.96Å | 1.99Å | |
| SE8 | C5' | sing | 1.96Å | 1.99Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | C3' | sing | 1.54Å | 1.64Å | |
| C4' | O4' | sing | 1.44Å | 1.30Å | |
| O3' | C3' | sing | 1.43Å | 1.48Å | |
| C3' | C2' | sing | 1.55Å | 1.24Å | |
| O4' | C1' | sing | 1.44Å | 1.50Å | |
| C2' | C1' | sing | 1.54Å | 1.58Å | |
| C2' | O2' | sing | 1.43Å | 1.51Å | |
| C1' | N9 | sing | 1.46Å | 1.35Å | |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.37Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| N2 | C2 | sing | 1.38Å | 1.47Å | |
| C2 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.45Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | N4 | sing | 1.38Å | 1.44Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| N05 | H052 | sing | 1.01Å | 1.00Å | |
| N05 | H051 | sing | 1.01Å | 1.00Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| N4 | H42 | sing | 0.97Å | 1.00Å | |
| N4 | H41 | sing | 0.97Å | 1.00Å | |
| C07 | H71 | sing | 1.09Å | 1.10Å | |
| C07 | H72 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | O03 | 120.0° | 120.0° |
| N01 | C02 | C04 | 119.9° | 120.0° |
| C02 | N01 | H012 | 120.0° | 120.0° |
| C02 | N01 | H011 | 120.0° | 120.1° |
| O03 | C02 | C04 | 120.1° | 120.0° |
| C02 | C04 | C06 | 111.3° | 109.5° |
| C02 | C04 | N05 | 109.1° | 109.5° |
| C02 | C04 | H041 | 108.0° | 109.4° |
| C06 | C04 | N05 | 112.2° | 109.5° |
| C04 | C06 | C07 | 115.0° | 109.5° |
| C06 | C04 | H041 | 107.7° | 109.5° |
| C04 | C06 | H062 | 108.1° | 109.5° |
| C04 | C06 | H061 | 108.1° | 109.5° |
| N05 | C04 | H041 | 108.4° | 109.5° |
| C04 | N05 | H052 | 109.5° | 111.1° |
| C04 | N05 | H051 | 109.5° | 111.0° |
| C06 | C07 | SE8 | 109.3° | 109.5° |
| C07 | C06 | H062 | 108.1° | 109.5° |
| C07 | C06 | H061 | 108.1° | 109.5° |
| C06 | C07 | H71 | 109.5° | 109.5° |
| C06 | C07 | H72 | 109.5° | 109.5° |
| C07 | SE8 | C5' | 109.2° | 101.0° |
| SE8 | C07 | H71 | 109.5° | 109.5° |
| SE8 | C07 | H72 | 109.5° | 109.5° |
| SE8 | C5' | C4' | 110.6° | 109.5° |
| SE8 | C5' | H5' | 109.2° | 109.4° |
| SE8 | C5' | H5'' | 109.2° | 109.5° |
| C5' | C4' | C3' | 109.9° | 110.3° |
| C5' | C4' | O4' | 110.1° | 110.4° |
| C5' | C4' | H4' | 109.4° | 110.4° |
| C4' | C5' | H5' | 109.2° | 109.5° |
| C4' | C5' | H5'' | 109.2° | 109.5° |
| C3' | C4' | O4' | 107.0° | 104.8° |
| C4' | C3' | O3' | 109.5° | 110.7° |
| C4' | C3' | C2' | 105.3° | 104.1° |
| C4' | C3' | H3' | 107.8° | 110.6° |
| C3' | C4' | H4' | 107.8° | 110.3° |
| C4' | O4' | C1' | 106.1° | 105.3° |
| O4' | C4' | H4' | 112.7° | 110.4° |
| O3' | C3' | C2' | 110.4° | 110.5° |
| O3' | C3' | H3' | 109.7° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C2' | C1' | 102.2° | 104.1° |
| C3' | C2' | O2' | 111.4° | 110.5° |
| C2' | C3' | H3' | 113.9° | 110.5° |
| C3' | C2' | H2' | 114.2° | 110.5° |
| O4' | C1' | C2' | 102.3° | 104.8° |
| O4' | C1' | N9 | 111.3° | 110.4° |
| O4' | C1' | H1' | 109.3° | 110.4° |
| C1' | C2' | O2' | 110.5° | 110.5° |
| C2' | C1' | N9 | 113.8° | 110.4° |
| C2' | C1' | H1' | 108.3° | 110.5° |
| C1' | C2' | H2' | 108.8° | 110.5° |
| O2' | C2' | H2' | 109.6° | 110.6° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C1' | N9 | C8 | 128.0° | 126.3° |
| C1' | N9 | C4 | 124.3° | 126.3° |
| N9 | C1' | H1' | 111.4° | 110.3° |
| C8 | N9 | C4 | 107.7° | 107.4° |
| N9 | C8 | N7 | 109.9° | 110.0° |
| N9 | C8 | H8 | 125.0° | 125.0° |
| N9 | C4 | N3 | 133.3° | 134.8° |
| N9 | C4 | C5 | 107.3° | 106.1° |
| C4 | N3 | C2 | 120.8° | 120.6° |
| N3 | C4 | C5 | 119.4° | 119.2° |
| N3 | C2 | N2 | 119.1° | 118.9° |
| N3 | C2 | N1 | 121.8° | 122.3° |
| C8 | N7 | C5 | 108.1° | 109.4° |
| N7 | C8 | H8 | 125.1° | 125.0° |
| C4 | C5 | N7 | 107.1° | 107.2° |
| C4 | C5 | C6 | 117.7° | 118.4° |
| N2 | C2 | N1 | 119.1° | 118.9° |
| C2 | N2 | H22 | 109.5° | 120.0° |
| C2 | N2 | H21 | 109.4° | 120.0° |
| C2 | N1 | C6 | 120.4° | 121.1° |
| N7 | C5 | C6 | 135.2° | 134.5° |
| C5 | C6 | N1 | 119.9° | 118.5° |
| C5 | C6 | N4 | 120.7° | 120.8° |
| N1 | C6 | N4 | 119.4° | 120.7° |
| C6 | N4 | H42 | 109.5° | 120.0° |
| C6 | N4 | H41 | 109.5° | 120.0° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H012 | N01 | H011 | 120.0° | 120.0° |
| H052 | N05 | H051 | 109.5° | 111.0° |
| H5' | C5' | H5'' | 109.5° | 109.4° |
| H22 | N2 | H21 | 109.5° | 120.0° |
| H42 | N4 | H41 | 109.5° | 120.0° |
| H71 | C07 | H72 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | O03 | C04 | 179.7° | 180.0° |
| N01 | C02 | C04 | C06 | 51.2° | 80.0° |
| N01 | C02 | C04 | N05 | 73.1° | 160.0° |
| N01 | C02 | C04 | H041 | 169.2° | 40.0° |
| C02 | N01 | H012 | H011 | 180.0° | 179.9° |
| O03 | C02 | C04 | C06 | 128.5° | 100.0° |
| O03 | C02 | C04 | N05 | 107.2° | 20.0° |
| O03 | C02 | C04 | H041 | 10.5° | 140.0° |
| O03 | C02 | N01 | H012 | 0.0° | 180.0° |
| O03 | C02 | N01 | H011 | 180.0° | 0.1° |
| C02 | C04 | C06 | N05 | 122.6° | 120.0° |
| C02 | C04 | C06 | H041 | 118.1° | 119.9° |
| C02 | C04 | N05 | H041 | 117.4° | 120.0° |
| C02 | C04 | C06 | C07 | 129.2° | 175.0° |
| C02 | C04 | C06 | H062 | 8.4° | 65.0° |
| C02 | C04 | C06 | H061 | 110.0° | 55.0° |
| C04 | C02 | N01 | H012 | 179.7° | 0.1° |
| C04 | C02 | N01 | H011 | 0.3° | 179.9° |
| C02 | C04 | N05 | H052 | 180.0° | 63.9° |
| C02 | C04 | N05 | H051 | 60.0° | 60.0° |
| C06 | C04 | N05 | H041 | 118.9° | 120.0° |
| C04 | C06 | C07 | H062 | 120.8° | 120.0° |
| C04 | C06 | C07 | H061 | 120.8° | 120.0° |
| C04 | C06 | C07 | SE8 | 80.2° | 180.0° |
| C04 | C06 | H062 | H061 | 117.5° | 120.0° |
| C06 | C04 | N05 | H052 | 56.2° | 176.0° |
| C06 | C04 | N05 | H051 | 176.2° | 60.0° |
| C04 | C06 | C07 | H71 | 39.8° | 60.0° |
| C04 | C06 | C07 | H72 | 159.9° | 60.0° |
| N05 | C04 | C06 | C07 | 6.6° | 65.0° |
| N05 | C04 | C06 | H062 | 114.2° | 55.0° |
| N05 | C04 | C06 | H061 | 127.4° | 175.0° |
| C04 | N05 | H052 | H051 | 120.0° | 124.0° |
| C06 | C07 | SE8 | H71 | 120.0° | 120.0° |
| C06 | C07 | SE8 | H72 | 120.0° | 120.0° |
| C06 | C07 | SE8 | C5' | 139.8° | 180.0° |
| C07 | C06 | C04 | H041 | 112.7° | 55.0° |
| C07 | C06 | H062 | H061 | 117.5° | 120.0° |
| C06 | C07 | H71 | H72 | 120.1° | 120.0° |
| C07 | SE8 | C5' | C4' | 96.0° | 180.0° |
| SE8 | C07 | C06 | H062 | 159.0° | 60.0° |
| SE8 | C07 | C06 | H061 | 40.6° | 60.0° |
| C07 | SE8 | C5' | H5' | 143.8° | 60.0° |
| C07 | SE8 | C5' | H5'' | 24.2° | 59.9° |
| SE8 | C07 | H71 | H72 | 120.1° | 120.0° |
| SE8 | C5' | C4' | H5' | 120.2° | 120.0° |
| SE8 | C5' | C4' | H5'' | 120.2° | 120.1° |
| SE8 | C5' | C4' | C3' | 159.8° | 175.0° |
| SE8 | C5' | C4' | O4' | 82.6° | 69.6° |
| SE8 | C5' | C4' | H4' | 41.7° | 52.8° |
| SE8 | C5' | H5' | H5'' | 119.5° | 120.0° |
| C5' | SE8 | C07 | H71 | 19.8° | 60.0° |
| C5' | SE8 | C07 | H72 | 100.2° | 60.0° |
| C5' | C4' | C3' | O4' | 119.4° | 118.9° |
| C5' | C4' | C3' | H4' | 119.1° | 122.3° |
| C5' | C4' | O4' | H4' | 122.4° | 122.4° |
| C5' | C4' | C3' | O3' | 144.7° | 98.5° |
| C5' | C4' | C3' | C2' | 96.6° | 142.8° |
| C5' | C4' | O4' | C1' | 125.1° | 159.3° |
| C5' | C4' | C3' | H3' | 25.3° | 24.2° |
| C4' | C5' | H5' | H5'' | 119.5° | 120.0° |
| C3' | C4' | O4' | H4' | 118.3° | 118.8° |
| C4' | C3' | O3' | C2' | 115.5° | 114.7° |
| C4' | C3' | O3' | H3' | 118.2° | 122.8° |
| C4' | C3' | C2' | H3' | 117.9° | 118.7° |
| C3' | C4' | O4' | C1' | 5.8° | 40.5° |
| C4' | C3' | C2' | C1' | 37.2° | 0.0° |
| C4' | C3' | C2' | O2' | 155.2° | 118.7° |
| C3' | C4' | C5' | H5' | 80.0° | 65.0° |
| C3' | C4' | C5' | H5'' | 39.6° | 54.9° |
| C4' | C3' | C2' | H2' | 80.0° | 118.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 176.2° |
| O4' | C4' | C3' | O3' | 95.9° | 142.7° |
| O4' | C4' | C3' | C2' | 22.8° | 24.0° |
| C4' | O4' | C1' | C2' | 26.3° | 40.5° |
| C4' | O4' | C1' | N9 | 148.2° | 159.4° |
| O4' | C4' | C3' | H3' | 144.8° | 94.6° |
| O4' | C4' | C5' | H5' | 37.5° | 50.3° |
| O4' | C4' | C5' | H5'' | 157.2° | 170.3° |
| C4' | O4' | C1' | H1' | 88.3° | 78.4° |
| O3' | C3' | C2' | H3' | 124.0° | 122.5° |
| O3' | C3' | C2' | C1' | 80.9° | 118.8° |
| O3' | C3' | C2' | O2' | 37.1° | 0.2° |
| O3' | C3' | C4' | H4' | 25.5° | 23.8° |
| O3' | C3' | C2' | H2' | 161.9° | 122.6° |
| C3' | C2' | C1' | O4' | 41.9° | 24.0° |
| C3' | C2' | C1' | O2' | 118.6° | 118.6° |
| C3' | C2' | C1' | H2' | 121.0° | 118.6° |
| C3' | C2' | O2' | H2' | 127.3° | 122.7° |
| C3' | C2' | C1' | N9 | 162.0° | 142.8° |
| C2' | C3' | C4' | H4' | 144.3° | 94.9° |
| C3' | C2' | C1' | H1' | 73.5° | 94.9° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
| C2' | C3' | O3' | HO3' | 64.5° | 61.4° |
| O4' | C1' | C2' | N9 | 120.2° | 118.9° |
| O4' | C1' | C2' | H1' | 115.4° | 118.9° |
| O4' | C1' | C2' | O2' | 160.5° | 142.6° |
| O4' | C1' | N9 | H1' | 122.3° | 122.2° |
| O4' | C1' | N9 | C8 | 97.7° | 23.6° |
| O4' | C1' | N9 | C4 | 82.5° | 156.4° |
| C1' | O4' | C4' | H4' | 112.4° | 78.3° |
| O4' | C1' | C2' | H2' | 79.2° | 94.7° |
| C1' | C2' | O2' | H2' | 119.8° | 122.7° |
| C2' | C1' | N9 | H1' | 122.8° | 122.4° |
| C2' | C1' | N9 | C8 | 17.2° | 91.8° |
| C2' | C1' | N9 | C4 | 162.6° | 88.2° |
| C1' | C2' | C3' | H3' | 155.1° | 118.7° |
| C1' | C2' | O2' | HO2' | 67.1° | 176.1° |
| O2' | C2' | C1' | N9 | 79.3° | 98.5° |
| O2' | C2' | C3' | H3' | 86.9° | 122.7° |
| O2' | C2' | C1' | H1' | 45.1° | 23.7° |
| C1' | N9 | C8 | C4 | 179.8° | 180.0° |
| C1' | N9 | C4 | N3 | 0.2° | 0.0° |
| C1' | N9 | C8 | N7 | 179.9° | 179.7° |
| C1' | N9 | C4 | C5 | 179.9° | 180.0° |
| C1' | N9 | C8 | H8 | 0.1° | 0.2° |
| N9 | C1' | C2' | H2' | 41.0° | 24.2° |
| C8 | N9 | C4 | N3 | 179.9° | 180.0° |
| N9 | C8 | N7 | H8 | 180.0° | 179.6° |
| C8 | N9 | C4 | C5 | 0.1° | 0.0° |
| N9 | C8 | N7 | C5 | 0.0° | 0.4° |
| C8 | N9 | C1' | H1' | 140.0° | 145.8° |
| N9 | C4 | N3 | C5 | 179.8° | 179.9° |
| N9 | C4 | N3 | C2 | 180.0° | 180.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.3° |
| N9 | C4 | C5 | N7 | 0.1° | 0.2° |
| N9 | C4 | C5 | C6 | 179.9° | 180.0° |
| C4 | N9 | C1' | H1' | 39.8° | 34.2° |
| C4 | N9 | C8 | H8 | 179.9° | 179.8° |
| C4 | N3 | C2 | N2 | 179.8° | 179.9° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| N3 | C4 | C5 | N7 | 179.9° | 179.7° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| N3 | C2 | N2 | N1 | 179.7° | 180.0° |
| N3 | C2 | N1 | C6 | 0.0° | 0.0° |
| N3 | C2 | N2 | H22 | 0.0° | 180.0° |
| N3 | C2 | N2 | H21 | 120.0° | 0.0° |
| C8 | N7 | C5 | C4 | 0.0° | 0.4° |
| C8 | N7 | C5 | C6 | 179.9° | 179.9° |
| C4 | C5 | N7 | C6 | 180.0° | 179.7° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C4 | C5 | C6 | N4 | 179.8° | 180.0° |
| N2 | C2 | N1 | C6 | 179.7° | 180.0° |
| C2 | N2 | H22 | H21 | 120.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | N4 | 179.8° | 180.0° |
| N1 | C2 | N2 | H22 | 179.7° | 0.0° |
| N1 | C2 | N2 | H21 | 59.7° | 180.0° |
| N7 | C5 | C6 | N1 | 180.0° | 179.7° |
| N7 | C5 | C6 | N4 | 0.2° | 0.3° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
| C5 | C6 | N1 | N4 | 179.7° | 180.0° |
| C5 | C6 | N4 | H42 | 179.8° | 0.0° |
| C5 | C6 | N4 | H41 | 60.3° | 180.0° |
| N1 | C6 | N4 | H42 | 0.0° | 180.0° |
| N1 | C6 | N4 | H41 | 120.0° | 0.0° |
| C6 | N4 | H42 | H41 | 120.0° | 180.0° |
| H3' | C3' | C4' | H4' | 93.8° | 146.5° |
| H3' | C3' | C2' | H2' | 37.9° | 0.1° |
| H3' | C3' | O3' | HO3' | 61.8° | 61.1° |
| H041 | C04 | C06 | H062 | 126.5° | 175.0° |
| H041 | C04 | C06 | H061 | 8.1° | 65.0° |
| H041 | C04 | N05 | H052 | 62.6° | 56.0° |
| H041 | C04 | N05 | H051 | 57.4° | 180.0° |
| H062 | C06 | C07 | H71 | 81.0° | 180.0° |
| H062 | C06 | C07 | H72 | 39.1° | 60.0° |
| H061 | C06 | C07 | H71 | 160.6° | 60.0° |
| H061 | C06 | C07 | H72 | 79.3° | 180.0° |
| H4' | C4' | C5' | H5' | 161.8° | 172.7° |
| H4' | C4' | C5' | H5'' | 78.5° | 67.3° |
| H1' | C1' | C2' | H2' | 165.5° | 146.5° |
| H2' | C2' | O2' | HO2' | 52.7° | 61.3° |
