DU4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.34Å | 1.41Å | |
N1 | C6 | sing | 1.37Å | 1.41Å | |
N1 | C1' | sing | 1.46Å | 1.48Å | |
C2 | O2 | doub | 1.22Å | 1.23Å | |
C2 | N3 | sing | 1.35Å | 1.39Å | |
N3 | C4 | sing | 1.35Å | 1.40Å | |
C4 | O4 | doub | 1.22Å | 1.23Å | |
C4 | C5 | sing | 1.42Å | 1.40Å | |
C5 | C6 | doub | 1.35Å | 1.40Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
C1' | O4' | sing | 1.44Å | 1.46Å | |
C17 | C18 | sing | 1.51Å | 1.55Å | |
C17 | C24 | sing | 1.51Å | 1.54Å | |
C17 | N5' | sing | 1.47Å | 1.49Å | |
C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
C18 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
C24 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.55Å | 1.53Å | |
C4' | O4' | sing | 1.44Å | 1.44Å | |
C4' | C5' | sing | 1.53Å | 1.56Å | |
C41 | N5' | sing | 1.47Å | 1.48Å | |
C5' | N5' | sing | 1.47Å | 1.48Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
C2' | H2'A | sing | 1.09Å | 1.10Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C25 | H25 | sing | 1.08Å | 1.08Å | |
C26 | H26 | sing | 1.08Å | 1.08Å | |
C27 | H27 | sing | 1.08Å | 1.08Å | |
C28 | H28 | sing | 1.08Å | 1.08Å | |
C29 | H29 | sing | 1.08Å | 1.08Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C41 | H41 | sing | 1.09Å | 1.10Å | |
C41 | H41A | sing | 1.09Å | 1.10Å | |
C41 | H41B | sing | 1.09Å | 1.10Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 120.1° | 120.7° |
C2 | N1 | C1' | 118.9° | 119.7° |
N1 | C2 | O2 | 122.8° | 119.6° |
N1 | C2 | N3 | 118.7° | 120.9° |
C6 | N1 | C1' | 121.0° | 119.7° |
N1 | C6 | C5 | 120.6° | 119.6° |
N1 | C6 | H6 | 119.7° | 120.2° |
N1 | C1' | C2' | 118.0° | 109.9° |
N1 | C1' | O4' | 102.6° | 109.9° |
N1 | C1' | H1' | 107.9° | 109.9° |
O2 | C2 | N3 | 118.5° | 119.5° |
C2 | N3 | C4 | 121.0° | 120.3° |
C2 | N3 | HN3 | 119.5° | 119.9° |
N3 | C4 | O4 | 118.7° | 120.3° |
N3 | C4 | C5 | 120.6° | 119.4° |
C4 | N3 | HN3 | 119.5° | 119.8° |
O4 | C4 | C5 | 120.7° | 120.3° |
C4 | C5 | C6 | 118.9° | 119.2° |
C4 | C5 | H5 | 120.5° | 120.5° |
C6 | C5 | H5 | 120.5° | 120.4° |
C5 | C6 | H6 | 119.7° | 120.2° |
C2' | C1' | O4' | 107.1° | 107.3° |
C1' | C2' | C3' | 103.1° | 104.2° |
C2' | C1' | H1' | 103.4° | 109.9° |
C1' | C2' | H2' | 111.7° | 110.5° |
C1' | C2' | H2'A | 111.7° | 110.5° |
C1' | O4' | C4' | 109.6° | 107.0° |
O4' | C1' | H1' | 118.6° | 110.0° |
C18 | C17 | C24 | 107.5° | 109.5° |
C18 | C17 | N5' | 112.5° | 109.5° |
C17 | C18 | C19 | 119.2° | 120.0° |
C17 | C18 | C23 | 121.4° | 120.0° |
C18 | C17 | H17 | 110.7° | 109.5° |
C24 | C17 | N5' | 114.4° | 109.5° |
C17 | C24 | C25 | 118.0° | 120.0° |
C17 | C24 | C29 | 122.3° | 120.0° |
C24 | C17 | H17 | 108.6° | 109.5° |
C17 | N5' | C41 | 110.8° | 111.0° |
C17 | N5' | C5' | 113.9° | 111.0° |
N5' | C17 | H17 | 103.0° | 109.5° |
C19 | C18 | C23 | 119.4° | 120.0° |
C18 | C19 | C20 | 120.5° | 120.0° |
C18 | C19 | H19 | 119.8° | 120.0° |
C18 | C23 | C22 | 120.1° | 120.0° |
C18 | C23 | H23 | 120.0° | 119.9° |
C19 | C20 | C21 | 119.9° | 120.0° |
C20 | C19 | H19 | 119.8° | 120.0° |
C19 | C20 | H20 | 120.1° | 120.0° |
C2' | C3' | O3' | 109.3° | 110.9° |
C2' | C3' | C4' | 103.8° | 102.1° |
C3' | C2' | H2' | 111.7° | 110.5° |
C3' | C2' | H2'A | 111.7° | 110.5° |
C2' | C3' | H3' | 113.4° | 110.9° |
C20 | C21 | C22 | 119.9° | 120.0° |
C21 | C20 | H20 | 120.1° | 120.0° |
C20 | C21 | H21 | 120.0° | 120.0° |
C21 | C22 | C23 | 120.2° | 120.0° |
C22 | C21 | H21 | 120.1° | 120.0° |
C21 | C22 | H22 | 119.9° | 120.0° |
C23 | C22 | H22 | 119.9° | 120.0° |
C22 | C23 | H23 | 119.9° | 120.1° |
C25 | C24 | C29 | 119.7° | 120.0° |
C24 | C25 | C26 | 120.4° | 120.0° |
C24 | C25 | H25 | 119.8° | 120.0° |
C24 | C29 | C28 | 119.8° | 120.0° |
C24 | C29 | H29 | 120.1° | 119.9° |
C25 | C26 | C27 | 119.8° | 120.0° |
C26 | C25 | H25 | 119.8° | 120.0° |
C25 | C26 | H26 | 120.1° | 119.9° |
C26 | C27 | C28 | 120.0° | 120.0° |
C27 | C26 | H26 | 120.1° | 120.0° |
C26 | C27 | H27 | 120.0° | 120.0° |
C27 | C28 | C29 | 120.3° | 120.0° |
C28 | C27 | H27 | 120.0° | 119.9° |
C27 | C28 | H28 | 119.9° | 120.0° |
C29 | C28 | H28 | 119.8° | 120.0° |
C28 | C29 | H29 | 120.1° | 120.1° |
O3' | C3' | C4' | 110.0° | 110.9° |
O3' | C3' | H3' | 107.6° | 110.8° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C3' | C4' | O4' | 106.2° | 103.5° |
C3' | C4' | C5' | 114.0° | 110.6° |
C4' | C3' | H3' | 112.7° | 110.9° |
C3' | C4' | H4' | 108.0° | 110.6° |
O4' | C4' | C5' | 107.2° | 110.6° |
O4' | C4' | H4' | 114.7° | 110.7° |
C4' | C5' | N5' | 110.0° | 109.5° |
C5' | C4' | H4' | 106.9° | 110.7° |
C4' | C5' | H5' | 109.3° | 109.5° |
C4' | C5' | H5'A | 109.3° | 109.5° |
C41 | N5' | C5' | 106.6° | 111.0° |
N5' | C41 | H41 | 109.5° | 109.5° |
N5' | C41 | H41A | 109.5° | 109.5° |
N5' | C41 | H41B | 109.5° | 109.5° |
N5' | C5' | H5' | 109.3° | 109.4° |
N5' | C5' | H5'A | 109.3° | 109.5° |
H2' | C2' | H2'A | 107.2° | 110.5° |
H41 | C41 | H41A | 109.5° | 109.4° |
H41 | C41 | H41B | 109.5° | 109.5° |
H41A | C41 | H41B | 109.5° | 109.4° |
H5' | C5' | H5'A | 109.7° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | C6 | C1' | 179.2° | 179.7° |
N1 | C2 | O2 | N3 | 179.7° | 180.0° |
N1 | C2 | N3 | C4 | 0.5° | 0.0° |
C2 | N1 | C6 | C5 | 0.7° | 0.0° |
C2 | N1 | C1' | C2' | 163.9° | 115.0° |
C2 | N1 | C1' | O4' | 78.6° | 127.2° |
N1 | C2 | N3 | HN3 | 179.4° | 179.9° |
C2 | N1 | C6 | H6 | 179.3° | 180.0° |
C2 | N1 | C1' | H1' | 47.4° | 6.0° |
C6 | N1 | C2 | O2 | 179.8° | 180.0° |
C6 | N1 | C2 | N3 | 0.0° | 0.0° |
N1 | C6 | C5 | C4 | 0.8° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 180.0° |
C6 | N1 | C1' | C2' | 16.8° | 65.3° |
C6 | N1 | C1' | O4' | 100.6° | 52.5° |
N1 | C6 | C5 | H5 | 179.2° | 179.9° |
C6 | N1 | C1' | H1' | 133.4° | 173.7° |
C1' | N1 | C2 | O2 | 0.5° | 0.3° |
C1' | N1 | C2 | N3 | 179.2° | 179.7° |
C1' | N1 | C6 | C5 | 178.5° | 179.7° |
N1 | C1' | C2' | O4' | 115.0° | 119.4° |
N1 | C1' | C2' | H1' | 119.0° | 121.0° |
N1 | C1' | O4' | H1' | 118.7° | 121.1° |
N1 | C1' | C2' | C3' | 92.1° | 121.5° |
N1 | C1' | O4' | C4' | 120.0° | 146.0° |
C1' | N1 | C6 | H6 | 1.5° | 0.3° |
N1 | C1' | C2' | H2' | 147.9° | 119.9° |
N1 | C1' | C2' | H2'A | 27.9° | 2.8° |
O2 | C2 | N3 | C4 | 179.2° | 180.0° |
O2 | C2 | N3 | HN3 | 0.8° | 0.0° |
C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
C2 | N3 | C4 | O4 | 179.9° | 179.9° |
C2 | N3 | C4 | C5 | 0.4° | 0.0° |
N3 | C4 | O4 | C5 | 179.5° | 179.9° |
N3 | C4 | C5 | C6 | 0.2° | 0.0° |
N3 | C4 | C5 | H5 | 179.8° | 180.0° |
O4 | C4 | C5 | C6 | 179.3° | 179.9° |
O4 | C4 | N3 | HN3 | 0.0° | 0.1° |
O4 | C4 | C5 | H5 | 0.7° | 0.1° |
C4 | C5 | C6 | H5 | 180.0° | 180.0° |
C5 | C4 | N3 | HN3 | 179.5° | 180.0° |
C4 | C5 | C6 | H6 | 179.2° | 180.0° |
C2' | C1' | O4' | H1' | 116.4° | 119.5° |
C1' | C2' | C3' | H2' | 120.0° | 118.6° |
C1' | C2' | C3' | H2'A | 120.0° | 118.7° |
C1' | C2' | C3' | O3' | 148.5° | 139.1° |
C1' | C2' | C3' | C4' | 31.2° | 20.9° |
C2' | C1' | O4' | C4' | 5.0° | 26.5° |
C1' | C2' | H2' | H2'A | 122.6° | 122.6° |
C1' | C2' | C3' | H3' | 91.5° | 97.3° |
O4' | C1' | C2' | C3' | 22.9° | 2.0° |
C1' | O4' | C4' | C3' | 15.1° | 40.1° |
C1' | O4' | C4' | C5' | 137.4° | 158.5° |
O4' | C1' | C2' | H2' | 97.1° | 120.7° |
O4' | C1' | C2' | H2'A | 142.9° | 116.7° |
C1' | O4' | C4' | H4' | 104.0° | 78.4° |
C18 | C17 | C24 | N5' | 125.8° | 120.0° |
C18 | C17 | C24 | H17 | 119.7° | 120.0° |
C18 | C17 | N5' | H17 | 119.2° | 120.0° |
C17 | C18 | C19 | C23 | 179.6° | 179.7° |
C17 | C18 | C19 | C20 | 179.9° | 180.0° |
C17 | C18 | C23 | C22 | 179.9° | 179.8° |
C18 | C17 | C24 | C25 | 88.4° | 106.2° |
C18 | C17 | C24 | C29 | 90.4° | 73.6° |
C18 | C17 | N5' | C41 | 53.2° | 177.6° |
C18 | C17 | N5' | C5' | 173.4° | 58.4° |
C17 | C18 | C19 | H19 | 0.1° | 0.0° |
C17 | C18 | C23 | H23 | 0.1° | 0.0° |
C24 | C17 | N5' | H17 | 117.7° | 120.0° |
C24 | C17 | C18 | C19 | 116.1° | 104.5° |
C24 | C17 | C18 | C23 | 63.5° | 75.8° |
C17 | C24 | C25 | C29 | 178.8° | 179.7° |
C17 | C24 | C25 | C26 | 179.4° | 180.0° |
C17 | C24 | C29 | C28 | 179.4° | 179.8° |
C24 | C17 | N5' | C41 | 176.3° | 57.6° |
C24 | C17 | N5' | C5' | 63.5° | 178.4° |
C17 | C24 | C25 | H25 | 0.6° | 0.0° |
C17 | C24 | C29 | H29 | 0.6° | 0.1° |
N5' | C17 | C18 | C19 | 117.0° | 135.5° |
N5' | C17 | C18 | C23 | 63.3° | 44.2° |
N5' | C17 | C24 | C25 | 145.9° | 133.8° |
N5' | C17 | C24 | C29 | 35.4° | 46.4° |
C17 | N5' | C5' | C4' | 152.8° | 170.0° |
C17 | N5' | C41 | C5' | 124.5° | 124.0° |
C17 | N5' | C41 | H41 | 180.0° | 54.2° |
C17 | N5' | C41 | H41A | 60.0° | 174.2° |
C17 | N5' | C41 | H41B | 60.0° | 65.9° |
C17 | N5' | C5' | H5' | 87.2° | 70.0° |
C17 | N5' | C5' | H5'A | 32.8° | 49.9° |
C18 | C19 | C20 | H19 | 180.0° | 180.0° |
C18 | C19 | C20 | C21 | 0.3° | 0.0° |
C19 | C18 | C23 | C22 | 0.3° | 0.5° |
C19 | C18 | C17 | H17 | 2.3° | 15.5° |
C18 | C19 | C20 | H20 | 179.7° | 179.9° |
C19 | C18 | C23 | H23 | 179.7° | 179.7° |
C23 | C18 | C19 | C20 | 0.4° | 0.3° |
C18 | C23 | C22 | C21 | 0.1° | 0.5° |
C18 | C23 | C22 | H23 | 180.0° | 179.8° |
C23 | C18 | C17 | H17 | 178.0° | 164.2° |
C23 | C18 | C19 | H19 | 179.6° | 179.7° |
C18 | C23 | C22 | H22 | 180.0° | 179.7° |
C19 | C20 | C21 | H20 | 180.0° | 180.0° |
C19 | C20 | C21 | C22 | 0.1° | 0.0° |
C19 | C20 | C21 | H21 | 179.9° | 180.0° |
C2' | C3' | O3' | C4' | 113.4° | 112.7° |
C2' | C3' | O3' | H3' | 123.5° | 123.6° |
C2' | C3' | C4' | H3' | 123.1° | 118.1° |
C2' | C3' | C4' | O4' | 29.2° | 37.0° |
C2' | C3' | C4' | C5' | 147.1° | 155.5° |
C3' | C2' | C1' | H1' | 149.0° | 117.5° |
C3' | C2' | H2' | H2'A | 122.6° | 122.6° |
C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
C2' | C3' | C4' | H4' | 94.2° | 81.5° |
C20 | C21 | C22 | H21 | 180.0° | 180.0° |
C20 | C21 | C22 | C23 | 0.1° | 0.2° |
C21 | C20 | C19 | H19 | 179.7° | 180.0° |
C20 | C21 | C22 | H22 | 179.9° | 180.0° |
C21 | C22 | C23 | H22 | 180.0° | 179.8° |
C22 | C21 | C20 | H20 | 180.0° | 180.0° |
C21 | C22 | C23 | H23 | 179.9° | 179.7° |
C23 | C22 | C21 | H21 | 179.9° | 179.8° |
C24 | C25 | C26 | H25 | 180.0° | 180.0° |
C24 | C25 | C26 | C27 | 0.1° | 0.0° |
C25 | C24 | C29 | C28 | 0.7° | 0.4° |
C25 | C24 | C17 | H17 | 31.4° | 13.8° |
C24 | C25 | C26 | H26 | 179.8° | 180.0° |
C25 | C24 | C29 | H29 | 179.3° | 179.7° |
C29 | C24 | C25 | C26 | 0.6° | 0.2° |
C24 | C29 | C28 | C27 | 0.1° | 0.4° |
C24 | C29 | C28 | H29 | 180.0° | 179.9° |
C29 | C24 | C17 | H17 | 149.9° | 166.4° |
C29 | C24 | C25 | H25 | 179.4° | 179.8° |
C24 | C29 | C28 | H28 | 179.9° | 179.7° |
C25 | C26 | C27 | H26 | 180.0° | 179.9° |
C25 | C26 | C27 | C28 | 0.7° | 0.0° |
C25 | C26 | C27 | H27 | 179.3° | 179.9° |
C26 | C27 | C28 | H27 | 180.0° | 179.9° |
C26 | C27 | C28 | C29 | 0.6° | 0.2° |
C27 | C26 | C25 | H25 | 179.9° | 180.0° |
C26 | C27 | C28 | H28 | 179.4° | 180.0° |
C27 | C28 | C29 | H28 | 180.0° | 179.8° |
C28 | C27 | C26 | H26 | 179.3° | 180.0° |
C27 | C28 | C29 | H29 | 179.9° | 179.7° |
C29 | C28 | C27 | H27 | 179.4° | 179.9° |
O3' | C3' | C4' | H3' | 120.1° | 123.7° |
O3' | C3' | C4' | O4' | 146.1° | 155.2° |
O3' | C3' | C4' | C5' | 96.1° | 86.3° |
O3' | C3' | C2' | H2' | 28.5° | 20.4° |
O3' | C3' | C2' | H2'A | 91.5° | 102.2° |
O3' | C3' | C4' | H4' | 22.6° | 36.7° |
C3' | C4' | O4' | C5' | 122.3° | 118.4° |
C3' | C4' | O4' | H4' | 119.1° | 118.5° |
C3' | C4' | C5' | H4' | 119.3° | 123.0° |
C3' | C4' | C5' | N5' | 178.8° | 175.0° |
C4' | C3' | C2' | H2' | 88.8° | 97.8° |
C4' | C3' | C2' | H2'A | 151.2° | 139.6° |
C4' | C3' | O3' | HO3' | 66.6° | 174.1° |
C3' | C4' | C5' | H5' | 61.3° | 55.0° |
C3' | C4' | C5' | H5'A | 58.8° | 65.0° |
O4' | C4' | C5' | H4' | 123.5° | 123.0° |
O4' | C4' | C5' | N5' | 61.5° | 71.0° |
C4' | O4' | C1' | H1' | 121.3° | 92.9° |
O4' | C4' | C3' | H3' | 93.9° | 81.1° |
O4' | C4' | C5' | H5' | 178.5° | 169.1° |
O4' | C4' | C5' | H5'A | 58.5° | 49.0° |
C4' | C5' | N5' | C41 | 84.7° | 66.0° |
C4' | C5' | N5' | H5' | 120.0° | 120.0° |
C4' | C5' | N5' | H5'A | 120.0° | 120.1° |
C5' | C4' | C3' | H3' | 24.0° | 37.3° |
C4' | C5' | H5' | H5'A | 119.8° | 120.1° |
C41 | N5' | C17 | H17 | 66.0° | 62.4° |
N5' | C41 | H41 | H41A | 120.0° | 120.0° |
N5' | C41 | H41 | H41B | 120.0° | 120.1° |
N5' | C41 | H41A | H41B | 120.0° | 120.0° |
C41 | N5' | C5' | H5' | 35.3° | 54.0° |
C41 | N5' | C5' | H5'A | 155.3° | 173.9° |
C5' | N5' | C17 | H17 | 54.2° | 61.6° |
N5' | C5' | C4' | H4' | 61.9° | 52.0° |
C5' | N5' | C41 | H41 | 55.5° | 178.1° |
C5' | N5' | C41 | H41A | 64.5° | 61.9° |
C5' | N5' | C41 | H41B | 175.5° | 58.1° |
N5' | C5' | H5' | H5'A | 119.8° | 120.0° |
H5 | C5 | C6 | H6 | 0.8° | 0.1° |
H1' | C1' | C2' | H2' | 28.9° | 1.2° |
H1' | C1' | C2' | H2'A | 91.0° | 123.8° |
H19 | C19 | C20 | H20 | 0.3° | 0.0° |
H2' | C2' | C3' | H3' | 148.5° | 144.0° |
H2'A | C2' | C3' | H3' | 28.5° | 21.4° |
H20 | C20 | C21 | H21 | 0.0° | 0.0° |
H21 | C21 | C22 | H22 | 0.1° | 0.0° |
H22 | C22 | C23 | H23 | 0.0° | 0.0° |
H25 | C25 | C26 | H26 | 0.2° | 0.1° |
H26 | C26 | C27 | H27 | 0.7° | 0.0° |
H27 | C27 | C28 | H28 | 0.6° | 0.0° |
H28 | C28 | C29 | H29 | 0.1° | 0.1° |
H3' | C3' | O3' | HO3' | 56.5° | 62.2° |
H3' | C3' | C4' | H4' | 142.7° | 160.3° |
H4' | C4' | C5' | H5' | 58.0° | 67.9° |
H4' | C4' | C5' | H5'A | 178.1° | 172.0° |
H41 | C41 | H41A | H41B | 120.0° | 120.0° |