D1K
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.34Å | 1.37Å | |
N1 | C6 | sing | 1.35Å | 1.43Å | |
N1 | C1' | sing | 1.46Å | 1.47Å | |
C2 | O2 | doub | 1.22Å | 1.24Å | |
C2 | N3 | sing | 1.33Å | 1.38Å | |
N3 | C4 | doub | 1.33Å | 1.42Å | |
C4 | C5 | sing | 1.42Å | 1.42Å | |
C4 | O5 | sing | 1.34Å | 1.38Å | |
C5 | C6 | doub | 1.38Å | 1.33Å | |
C5 | C7 | sing | 1.47Å | 1.35Å | |
O5 | C8 | sing | 1.35Å | 1.38Å | |
C7 | C8 | doub | 1.34Å | 1.34Å | |
C8 | C9 | sing | 1.51Å | 1.51Å | |
C9 | C10 | sing | 1.53Å | 1.53Å | |
C1' | C2' | sing | 1.53Å | 1.51Å | |
C1' | O5' | sing | 1.43Å | 1.48Å | |
C10 | C11 | sing | 1.53Å | 1.56Å | |
C2' | O2' | sing | 1.43Å | 1.43Å | |
C2' | C3' | sing | 1.53Å | 1.56Å | |
C3' | O3' | sing | 1.43Å | 1.38Å | |
C3' | C4' | sing | 1.53Å | 1.53Å | |
C4' | O4' | sing | 1.43Å | 1.45Å | |
C4' | C5' | sing | 1.53Å | 1.60Å | |
C5' | O5' | sing | 1.43Å | 1.41Å | |
C5' | C6' | sing | 1.53Å | 1.53Å | |
C6' | O6' | sing | 1.43Å | 1.45Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C7 | H7 | sing | 1.08Å | 1.08Å | |
C9 | H9 | sing | 1.09Å | 1.10Å | |
C9 | H9A | sing | 1.09Å | 1.10Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C11 | H11 | sing | 1.09Å | 1.10Å | |
C11 | H11A | sing | 1.09Å | 1.10Å | |
C11 | H11B | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | HO4' | sing | 0.97Å | 0.95Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C6' | H6' | sing | 1.09Å | 1.10Å | |
C6' | H6'A | sing | 1.09Å | 1.10Å | |
O6' | HO6' | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 122.2° | 120.4° |
C2 | N1 | C1' | 117.1° | 119.8° |
N1 | C2 | O2 | 123.3° | 119.0° |
N1 | C2 | N3 | 119.2° | 122.0° |
C6 | N1 | C1' | 120.7° | 119.8° |
N1 | C6 | C5 | 116.6° | 118.6° |
N1 | C6 | H6 | 121.7° | 120.7° |
N1 | C1' | C2' | 113.9° | 109.5° |
N1 | C1' | O5' | 104.5° | 109.5° |
N1 | C1' | H1' | 109.2° | 109.5° |
O2 | C2 | N3 | 117.5° | 119.1° |
C2 | N3 | C4 | 115.3° | 120.7° |
N3 | C4 | C5 | 115.4° | 119.0° |
N3 | C4 | O5 | 108.8° | 134.1° |
C5 | C4 | O5 | 102.5° | 107.0° |
C4 | C5 | C6 | 119.8° | 119.4° |
C4 | C5 | C7 | 104.0° | 105.4° |
C4 | O5 | C8 | 97.0° | 111.1° |
C6 | C5 | C7 | 134.1° | 135.3° |
C5 | C6 | H6 | 121.7° | 120.8° |
C5 | C7 | C8 | 105.0° | 106.1° |
C5 | C7 | H7 | 127.5° | 126.9° |
O5 | C8 | C7 | 109.3° | 110.4° |
O5 | C8 | C9 | 125.2° | 124.8° |
C7 | C8 | C9 | 122.1° | 124.8° |
C8 | C7 | H7 | 127.5° | 127.0° |
C8 | C9 | C10 | 114.9° | 109.5° |
C8 | C9 | H9 | 108.1° | 109.5° |
C8 | C9 | H9A | 108.1° | 109.5° |
C9 | C10 | C11 | 105.6° | 109.5° |
C10 | C9 | H9 | 108.1° | 109.4° |
C10 | C9 | H9A | 108.1° | 109.5° |
C9 | C10 | H10 | 110.4° | 109.5° |
C9 | C10 | H10A | 110.4° | 109.5° |
C2' | C1' | O5' | 111.0° | 109.4° |
C1' | C2' | O2' | 110.3° | 109.6° |
C1' | C2' | C3' | 106.5° | 109.2° |
C2' | C1' | H1' | 108.8° | 109.4° |
C1' | C2' | H2' | 108.2° | 109.5° |
C1' | O5' | C5' | 106.2° | 114.1° |
O5' | C1' | H1' | 109.2° | 109.5° |
C11 | C10 | H10 | 110.4° | 109.5° |
C11 | C10 | H10A | 110.4° | 109.5° |
C10 | C11 | H11 | 109.5° | 109.5° |
C10 | C11 | H11A | 109.5° | 109.5° |
C10 | C11 | H11B | 109.5° | 109.5° |
O2' | C2' | C3' | 114.7° | 109.5° |
O2' | C2' | H2' | 109.3° | 109.5° |
C2' | O2' | HO2' | 109.5° | 114.0° |
C2' | C3' | O3' | 110.7° | 109.5° |
C2' | C3' | C4' | 109.5° | 109.1° |
C3' | C2' | H2' | 107.6° | 109.5° |
C2' | C3' | H3' | 108.0° | 109.5° |
O3' | C3' | C4' | 109.7° | 109.6° |
O3' | C3' | H3' | 110.5° | 109.5° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C3' | C4' | O4' | 107.1° | 109.6° |
C3' | C4' | C5' | 111.5° | 109.1° |
C4' | C3' | H3' | 108.3° | 109.6° |
C3' | C4' | H4' | 108.8° | 109.5° |
O4' | C4' | C5' | 111.5° | 109.5° |
O4' | C4' | H4' | 109.9° | 109.6° |
C4' | O4' | HO4' | 109.5° | 114.0° |
C4' | C5' | O5' | 110.8° | 109.4° |
C4' | C5' | C6' | 114.4° | 109.5° |
C5' | C4' | H4' | 108.0° | 109.6° |
C4' | C5' | H5' | 109.0° | 109.5° |
O5' | C5' | C6' | 101.0° | 109.4° |
O5' | C5' | H5' | 111.6° | 109.5° |
C5' | C6' | O6' | 112.0° | 109.5° |
C6' | C5' | H5' | 109.9° | 109.5° |
C5' | C6' | H6' | 108.8° | 109.4° |
C5' | C6' | H6'A | 108.8° | 109.5° |
O6' | C6' | H6' | 108.8° | 109.4° |
O6' | C6' | H6'A | 108.8° | 109.5° |
C6' | O6' | HO6' | 109.5° | 114.0° |
H9 | C9 | H9A | 109.5° | 109.5° |
H10 | C10 | H10A | 109.5° | 109.5° |
H11 | C11 | H11A | 109.5° | 109.5° |
H11 | C11 | H11B | 109.5° | 109.5° |
H11A | C11 | H11B | 109.5° | 109.5° |
H6' | C6' | H6'A | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | C6 | C1' | 177.5° | 179.8° |
N1 | C2 | O2 | N3 | 178.6° | 180.0° |
N1 | C2 | N3 | C4 | 22.4° | 0.0° |
C2 | N1 | C6 | C5 | 0.4° | 0.1° |
C2 | N1 | C1' | C2' | 137.2° | 65.1° |
C2 | N1 | C1' | O5' | 101.5° | 54.9° |
C2 | N1 | C6 | H6 | 179.6° | 180.0° |
C2 | N1 | C1' | H1' | 15.3° | 175.0° |
C6 | N1 | C2 | O2 | 178.7° | 180.0° |
C6 | N1 | C2 | N3 | 2.8° | 0.0° |
N1 | C6 | C5 | C4 | 17.2° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 179.9° |
N1 | C6 | C5 | C7 | 177.4° | 180.0° |
C6 | N1 | C1' | C2' | 45.2° | 114.7° |
C6 | N1 | C1' | O5' | 76.1° | 125.3° |
C6 | N1 | C1' | H1' | 167.1° | 5.3° |
C1' | N1 | C2 | O2 | 1.1° | 0.2° |
C1' | N1 | C2 | N3 | 179.7° | 179.7° |
C1' | N1 | C6 | C5 | 177.1° | 179.7° |
N1 | C1' | C2' | O5' | 117.7° | 120.0° |
N1 | C1' | C2' | H1' | 122.1° | 120.0° |
N1 | C1' | O5' | H1' | 116.8° | 120.1° |
N1 | C1' | C2' | O2' | 50.4° | 62.5° |
N1 | C1' | C2' | C3' | 175.4° | 177.6° |
N1 | C1' | O5' | C5' | 164.8° | 178.9° |
C1' | N1 | C6 | H6 | 2.9° | 0.2° |
N1 | C1' | C2' | H2' | 69.2° | 57.7° |
O2 | C2 | N3 | C4 | 158.9° | 180.0° |
C2 | N3 | C4 | C5 | 38.9° | 0.0° |
C2 | N3 | C4 | O5 | 153.3° | 180.0° |
N3 | C4 | C5 | O5 | 118.0° | 180.0° |
N3 | C4 | C5 | C6 | 37.3° | 0.0° |
N3 | C4 | C5 | C7 | 157.2° | 180.0° |
N3 | C4 | O5 | C8 | 168.1° | 180.0° |
C4 | C5 | C6 | C7 | 160.2° | 180.0° |
C5 | C4 | O5 | C8 | 45.5° | 0.0° |
C4 | C5 | C7 | C8 | 14.5° | 0.0° |
C4 | C5 | C6 | H6 | 162.8° | 179.9° |
C4 | C5 | C7 | H7 | 165.5° | 180.0° |
O5 | C4 | C5 | C6 | 155.3° | 180.0° |
O5 | C4 | C5 | C7 | 39.2° | 0.0° |
C4 | O5 | C8 | C7 | 38.5° | 0.1° |
C4 | O5 | C8 | C9 | 162.1° | 180.0° |
C6 | C5 | C7 | C8 | 176.9° | 180.0° |
C6 | C5 | C7 | H7 | 3.1° | 0.0° |
C5 | C7 | C8 | O5 | 15.2° | 0.1° |
C5 | C7 | C8 | H7 | 180.0° | 179.9° |
C5 | C7 | C8 | C9 | 175.3° | 180.0° |
C7 | C5 | C6 | H6 | 2.6° | 0.1° |
O5 | C8 | C7 | C9 | 160.1° | 179.9° |
O5 | C8 | C9 | C10 | 126.3° | 84.9° |
O5 | C8 | C7 | H7 | 164.8° | 180.0° |
O5 | C8 | C9 | H9 | 112.9° | 35.1° |
O5 | C8 | C9 | H9A | 5.5° | 155.1° |
C7 | C8 | C9 | C10 | 76.8° | 95.0° |
C7 | C8 | C9 | H9 | 43.9° | 145.1° |
C7 | C8 | C9 | H9A | 162.4° | 25.1° |
C8 | C9 | C10 | H9 | 120.8° | 120.0° |
C8 | C9 | C10 | H9A | 120.8° | 120.0° |
C8 | C9 | C10 | C11 | 166.3° | 180.0° |
C9 | C8 | C7 | H7 | 4.7° | 0.1° |
C8 | C9 | H9 | H9A | 117.5° | 120.0° |
C8 | C9 | C10 | H10 | 74.3° | 60.0° |
C8 | C9 | C10 | H10A | 46.9° | 60.0° |
C9 | C10 | C11 | H10 | 119.4° | 120.0° |
C9 | C10 | C11 | H10A | 119.4° | 120.0° |
C10 | C9 | H9 | H9A | 117.5° | 120.0° |
C9 | C10 | H10 | H10A | 121.8° | 120.0° |
C9 | C10 | C11 | H11 | 180.0° | 60.0° |
C9 | C10 | C11 | H11A | 60.0° | 60.0° |
C9 | C10 | C11 | H11B | 60.0° | 180.0° |
C2' | C1' | O5' | H1' | 120.0° | 119.9° |
C1' | C2' | O2' | C3' | 120.2° | 119.7° |
C1' | C2' | O2' | H2' | 118.9° | 120.1° |
C1' | C2' | C3' | H2' | 115.9° | 119.9° |
C1' | C2' | C3' | O3' | 175.5° | 176.8° |
C1' | C2' | C3' | C4' | 54.5° | 56.9° |
C2' | C1' | O5' | C5' | 72.0° | 61.1° |
C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
C1' | C2' | C3' | H3' | 63.3° | 63.0° |
O5' | C1' | C2' | O2' | 168.1° | 177.5° |
O5' | C1' | C2' | C3' | 66.9° | 57.5° |
C1' | O5' | C5' | C4' | 62.1° | 61.2° |
C1' | O5' | C5' | C6' | 176.3° | 178.9° |
O5' | C1' | C2' | H2' | 48.5° | 62.4° |
C1' | O5' | C5' | H5' | 59.5° | 58.9° |
C11 | C10 | C9 | H9 | 45.5° | 60.0° |
C11 | C10 | C9 | H9A | 72.9° | 60.0° |
C11 | C10 | H10 | H10A | 121.8° | 120.0° |
C10 | C11 | H11 | H11A | 120.0° | 120.0° |
C10 | C11 | H11 | H11B | 120.0° | 120.0° |
C10 | C11 | H11A | H11B | 120.0° | 120.0° |
O2' | C2' | C3' | H2' | 121.8° | 120.2° |
O2' | C2' | C3' | O3' | 62.1° | 63.2° |
O2' | C2' | C3' | C4' | 176.8° | 176.9° |
O2' | C2' | C1' | H1' | 71.7° | 57.5° |
O2' | C2' | C3' | H3' | 59.0° | 56.9° |
C2' | C3' | O3' | C4' | 121.0° | 119.6° |
C2' | C3' | O3' | H3' | 119.6° | 120.1° |
C2' | C3' | C4' | H3' | 117.6° | 119.9° |
C2' | C3' | C4' | O4' | 171.1° | 176.9° |
C2' | C3' | C4' | C5' | 48.9° | 57.0° |
C3' | C2' | C1' | H1' | 53.3° | 62.4° |
C3' | C2' | O2' | HO2' | 59.8° | 60.3° |
C2' | C3' | O3' | HO3' | 180.0° | 180.0° |
C2' | C3' | C4' | H4' | 70.1° | 63.0° |
O3' | C3' | C4' | H3' | 120.7° | 120.2° |
O3' | C3' | C4' | O4' | 67.2° | 63.3° |
O3' | C3' | C4' | C5' | 170.5° | 176.8° |
O3' | C3' | C2' | H2' | 59.7° | 57.0° |
O3' | C3' | C4' | H4' | 51.6° | 56.9° |
C3' | C4' | O4' | C5' | 122.3° | 119.7° |
C3' | C4' | O4' | H4' | 118.0° | 120.1° |
C3' | C4' | C5' | H4' | 119.4° | 119.9° |
C3' | C4' | C5' | O5' | 54.3° | 57.6° |
C3' | C4' | C5' | C6' | 167.7° | 177.5° |
C4' | C3' | C2' | H2' | 61.4° | 62.9° |
C4' | C3' | O3' | HO3' | 59.0° | 60.4° |
C3' | C4' | O4' | HO4' | 180.0° | 60.0° |
C3' | C4' | C5' | H5' | 68.9° | 62.4° |
O4' | C4' | C5' | H4' | 120.9° | 120.2° |
O4' | C4' | C5' | O5' | 174.1° | 177.5° |
O4' | C4' | C5' | C6' | 72.6° | 62.5° |
O4' | C4' | C3' | H3' | 53.5° | 56.9° |
O4' | C4' | C5' | H5' | 50.9° | 57.5° |
C4' | C5' | O5' | C6' | 121.6° | 120.0° |
C4' | C5' | O5' | H5' | 121.7° | 120.0° |
C4' | C5' | C6' | H5' | 122.9° | 120.1° |
C4' | C5' | C6' | O6' | 39.6° | 175.0° |
C5' | C4' | C3' | H3' | 68.8° | 62.9° |
C5' | C4' | O4' | HO4' | 57.7° | 179.6° |
C4' | C5' | C6' | H6' | 159.9° | 55.1° |
C4' | C5' | C6' | H6'A | 80.8° | 65.0° |
O5' | C5' | C6' | H5' | 118.0° | 120.0° |
O5' | C5' | C6' | O6' | 79.5° | 65.1° |
C5' | O5' | C1' | H1' | 48.0° | 58.8° |
O5' | C5' | C4' | H4' | 65.1° | 62.3° |
O5' | C5' | C6' | H6' | 40.9° | 175.0° |
O5' | C5' | C6' | H6'A | 160.1° | 54.9° |
C5' | C6' | O6' | H6' | 120.4° | 119.9° |
C5' | C6' | O6' | H6'A | 120.3° | 120.1° |
C6' | C5' | C4' | H4' | 48.3° | 57.6° |
C5' | C6' | H6' | H6'A | 118.8° | 120.1° |
C5' | C6' | O6' | HO6' | 180.0° | 179.9° |
O6' | C6' | C5' | H5' | 162.5° | 54.9° |
O6' | C6' | H6' | H6'A | 118.9° | 120.0° |
H9 | C9 | C10 | H10 | 164.9° | 180.0° |
H9 | C9 | C10 | H10A | 73.9° | 60.0° |
H9A | C9 | C10 | H10 | 46.5° | 60.0° |
H9A | C9 | C10 | H10A | 167.7° | NaN° |
H1' | C1' | C2' | H2' | 168.7° | 177.7° |
H10 | C10 | C11 | H11 | 60.6° | 180.0° |
H10 | C10 | C11 | H11A | 179.4° | 60.0° |
H10 | C10 | C11 | H11B | 59.4° | 60.0° |
H10A | C10 | C11 | H11 | 60.6° | 60.0° |
H10A | C10 | C11 | H11A | 59.4° | 180.0° |
H10A | C10 | C11 | H11B | 179.4° | 60.0° |
H11 | C11 | H11A | H11B | 120.0° | 120.0° |
H2' | C2' | O2' | HO2' | 61.1° | 59.9° |
H2' | C2' | C3' | H3' | 179.2° | 177.1° |
H3' | C3' | O3' | HO3' | 60.4° | 59.9° |
H3' | C3' | C4' | H4' | 172.3° | 177.1° |
H4' | C4' | O4' | HO4' | 61.9° | 60.2° |
H4' | C4' | C5' | H5' | 171.7° | 177.7° |
H5' | C5' | C6' | H6' | 77.2° | 65.0° |
H5' | C5' | C6' | H6'A | 42.1° | 174.9° |
H6' | C6' | O6' | HO6' | 59.6° | 60.0° |
H6'A | C6' | O6' | HO6' | 59.7° | 60.0° |