1HZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.41Å | |
N5' | C5' | sing | 1.47Å | 1.45Å | |
N5' | S | sing | 1.66Å | 1.59Å | |
O2' | C2' | sing | 1.43Å | 1.43Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C3' | C4' | sing | 1.54Å | 1.51Å | |
C3' | C2' | sing | 1.55Å | 1.50Å | |
C4' | O4' | sing | 1.44Å | 1.43Å | |
O1P | S | doub | 1.42Å | 1.43Å | |
C2' | C1' | sing | 1.55Å | 1.51Å | |
S | C22 | sing | 1.81Å | 1.68Å | |
S | O2P | doub | 1.42Å | 1.43Å | |
C22 | C21 | sing | 1.53Å | 1.53Å | |
O4' | C1' | sing | 1.44Å | 1.43Å | |
C1' | N9 | sing | 1.46Å | 1.47Å | |
O14 | C14 | sing | 1.36Å | 1.35Å | |
C21 | C19 | sing | 1.51Å | 1.53Å | |
N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
C14 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
O15 | C15 | sing | 1.36Å | 1.37Å | |
C4 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
N7 | C5 | sing | 1.36Å | 1.35Å | Aromatic |
C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.37Å | |
C22 | H1 | sing | 1.09Å | 1.10Å | |
C22 | H2 | sing | 1.09Å | 1.10Å | |
C21 | H3 | sing | 1.09Å | 1.10Å | |
C21 | H4 | sing | 1.09Å | 1.10Å | |
C18 | H5 | sing | 1.08Å | 1.08Å | |
C17 | H6 | sing | 1.08Å | 1.08Å | |
C16 | H7 | sing | 1.08Å | 1.08Å | |
O15 | H8 | sing | 0.97Å | 0.95Å | |
O14 | H9 | sing | 0.97Å | 0.95Å | |
N5' | H10 | sing | 0.97Å | 1.00Å | |
C5' | H11 | sing | 1.09Å | 1.10Å | |
C5' | H12 | sing | 1.09Å | 1.10Å | |
C4' | H13 | sing | 1.09Å | 1.10Å | |
C1' | H14 | sing | 1.09Å | 1.10Å | |
C2' | H15 | sing | 1.09Å | 1.10Å | |
O2' | H16 | sing | 0.97Å | 0.95Å | |
C3' | H17 | sing | 1.09Å | 1.10Å | |
O3' | H18 | sing | 0.97Å | 0.95Å | |
C8 | H19 | sing | 1.08Å | 1.08Å | |
N6 | H20 | sing | 0.97Å | 1.00Å | |
N6 | H21 | sing | 0.97Å | 1.00Å | |
C2 | H22 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C4' | 107.9° | 110.5° |
O3' | C3' | C2' | 111.7° | 110.5° |
O3' | C3' | H17 | 112.8° | 110.5° |
C3' | O3' | H18 | 109.5° | 114.0° |
C5' | N5' | S | 119.5° | 120.0° |
N5' | C5' | C4' | 111.5° | 109.4° |
C5' | N5' | H10 | 106.9° | 120.0° |
N5' | C5' | H11 | 108.9° | 109.5° |
N5' | C5' | H12 | 109.0° | 109.5° |
N5' | S | O1P | 105.0° | 104.3° |
N5' | S | C22 | 111.3° | 104.5° |
N5' | S | O2P | 109.8° | 104.3° |
S | N5' | H10 | 106.9° | 120.0° |
O2' | C2' | C3' | 108.6° | 111.0° |
O2' | C2' | C1' | 105.6° | 110.9° |
O2' | C2' | H15 | 113.5° | 110.8° |
C2' | O2' | H16 | 109.5° | 113.9° |
C5' | C4' | C3' | 110.8° | 109.9° |
C5' | C4' | O4' | 112.4° | 109.9° |
C4' | C5' | H11 | 109.0° | 109.4° |
C4' | C5' | H12 | 108.9° | 109.5° |
C5' | C4' | H13 | 109.0° | 109.9° |
C4' | C3' | C2' | 101.2° | 104.2° |
C3' | C4' | O4' | 105.0° | 107.3° |
C3' | C4' | H13 | 109.2° | 110.0° |
C4' | C3' | H17 | 111.3° | 110.5° |
C3' | C2' | C1' | 103.8° | 102.1° |
C3' | C2' | H15 | 112.3° | 110.9° |
C2' | C3' | H17 | 111.4° | 110.5° |
C4' | O4' | C1' | 108.7° | 107.0° |
O4' | C4' | H13 | 110.3° | 109.9° |
O1P | S | C22 | 109.6° | 110.6° |
O1P | S | O2P | 112.0° | 121.0° |
C2' | C1' | O4' | 107.1° | 103.4° |
C2' | C1' | N9 | 109.9° | 110.6° |
C2' | C1' | H14 | 110.2° | 110.7° |
C1' | C2' | H15 | 112.3° | 110.9° |
C22 | S | O2P | 109.2° | 110.5° |
S | C22 | C21 | 110.9° | 109.5° |
S | C22 | H1 | 109.1° | 109.5° |
S | C22 | H2 | 109.1° | 109.4° |
C22 | C21 | C19 | 114.9° | 109.5° |
C21 | C22 | H1 | 109.1° | 109.5° |
C21 | C22 | H2 | 109.1° | 109.5° |
C22 | C21 | H3 | 108.1° | 109.5° |
C22 | C21 | H4 | 108.1° | 109.4° |
O4' | C1' | N9 | 107.2° | 110.6° |
O4' | C1' | H14 | 111.5° | 110.6° |
C1' | N9 | C8 | 125.3° | 126.3° |
C1' | N9 | C4 | 125.5° | 126.2° |
N9 | C1' | H14 | 110.8° | 110.6° |
O14 | C14 | C19 | 119.1° | 120.0° |
O14 | C14 | C15 | 119.9° | 120.1° |
C14 | O14 | H9 | 109.5° | 114.0° |
C21 | C19 | C14 | 122.9° | 120.0° |
C21 | C19 | C18 | 118.3° | 120.0° |
C19 | C21 | H3 | 108.1° | 109.5° |
C19 | C21 | H4 | 108.1° | 109.5° |
C8 | N9 | C4 | 109.1° | 107.5° |
N9 | C8 | N7 | 108.5° | 110.0° |
N9 | C8 | H19 | 125.8° | 125.0° |
N9 | C4 | N3 | 132.6° | 135.0° |
N9 | C4 | C5 | 107.3° | 106.0° |
C19 | C14 | C15 | 121.0° | 119.9° |
C14 | C19 | C18 | 118.8° | 120.0° |
C14 | C15 | O15 | 122.2° | 120.1° |
C14 | C15 | C16 | 119.2° | 119.9° |
C8 | N7 | C5 | 108.2° | 109.5° |
N7 | C8 | H19 | 125.7° | 125.0° |
C19 | C18 | C17 | 121.0° | 120.2° |
C19 | C18 | H5 | 119.5° | 119.9° |
C4 | N3 | C2 | 119.4° | 120.7° |
N3 | C4 | C5 | 120.2° | 119.0° |
N3 | C2 | N1 | 121.7° | 122.5° |
N3 | C2 | H22 | 119.1° | 118.8° |
O15 | C15 | C16 | 118.6° | 120.0° |
C15 | O15 | H8 | 109.5° | 114.0° |
C4 | C5 | N7 | 106.9° | 107.1° |
C4 | C5 | C6 | 119.4° | 118.2° |
C15 | C16 | C17 | 120.0° | 120.0° |
C15 | C16 | H7 | 120.0° | 120.0° |
C18 | C17 | C16 | 119.9° | 120.1° |
C17 | C18 | H5 | 119.5° | 119.9° |
C18 | C17 | H6 | 120.0° | 120.0° |
N7 | C5 | C6 | 133.7° | 134.7° |
C2 | N1 | C6 | 121.9° | 121.2° |
N1 | C2 | H22 | 119.2° | 118.8° |
C5 | C6 | N1 | 117.4° | 118.4° |
C5 | C6 | N6 | 121.6° | 120.8° |
C16 | C17 | H6 | 120.0° | 119.9° |
C17 | C16 | H7 | 120.0° | 120.0° |
N1 | C6 | N6 | 120.9° | 120.8° |
C6 | N6 | H20 | 109.5° | 120.0° |
C6 | N6 | H21 | 109.4° | 120.0° |
H1 | C22 | H2 | 109.5° | 109.5° |
H3 | C21 | H4 | 109.5° | 109.5° |
H11 | C5' | H12 | 109.5° | 109.5° |
H20 | N6 | H21 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C2' | O2' | 36.2° | 20.4° |
O3' | C3' | C4' | C5' | 83.8° | 119.8° |
O3' | C3' | C4' | C2' | 117.3° | 118.7° |
O3' | C3' | C4' | H17 | 124.2° | 122.6° |
O3' | C3' | C2' | H17 | 127.1° | 122.6° |
O3' | C3' | C4' | O4' | 154.6° | 120.8° |
O3' | C3' | C2' | C1' | 148.3° | 97.8° |
O3' | C3' | C4' | H13 | 36.3° | 1.2° |
O3' | C3' | C2' | H15 | 90.2° | 144.0° |
C5' | N5' | S | H10 | 121.4° | 180.0° |
N5' | C5' | C4' | H11 | 120.3° | 120.0° |
N5' | C5' | C4' | H12 | 120.3° | 120.0° |
N5' | C5' | C4' | C3' | 171.0° | 175.7° |
N5' | C5' | C4' | O4' | 71.9° | 66.4° |
C5' | N5' | S | O1P | 178.8° | 51.1° |
C5' | N5' | S | C22 | 60.4° | 65.0° |
C5' | N5' | S | O2P | 60.6° | 178.9° |
N5' | C5' | H11 | H12 | 119.1° | 120.0° |
N5' | C5' | C4' | H13 | 50.8° | 54.6° |
S | N5' | C5' | C4' | 104.7° | 165.0° |
N5' | S | O1P | C22 | 119.6° | 111.8° |
N5' | S | O1P | O2P | 119.0° | 116.7° |
N5' | S | C22 | O2P | 121.3° | 111.6° |
N5' | S | C22 | C21 | 163.6° | 180.0° |
N5' | S | C22 | H1 | 76.1° | 60.0° |
N5' | S | C22 | H2 | 43.4° | 60.0° |
S | N5' | C5' | H11 | 15.6° | 75.0° |
S | N5' | C5' | H12 | 135.0° | 45.1° |
O2' | C2' | C3' | C4' | 78.3° | 139.1° |
O2' | C2' | C3' | C1' | 112.1° | 118.2° |
O2' | C2' | C3' | H15 | 126.4° | 123.6° |
O2' | C2' | C1' | H15 | 124.2° | 123.5° |
O2' | C2' | C1' | O4' | 95.0° | 155.3° |
O2' | C2' | C1' | N9 | 148.9° | 86.2° |
O2' | C2' | C1' | H14 | 26.5° | 36.8° |
O2' | C2' | C3' | H17 | 163.3° | 102.2° |
C5' | C4' | C3' | O4' | 121.6° | 119.4° |
C5' | C4' | C3' | H13 | 120.1° | 121.0° |
C5' | C4' | C3' | C2' | 158.9° | 121.5° |
C5' | C4' | O4' | H13 | 122.0° | 121.0° |
C5' | C4' | O4' | C1' | 147.0° | 146.0° |
C4' | C5' | N5' | H10 | 16.7° | 15.0° |
C4' | C5' | H11 | H12 | 119.1° | 120.0° |
C5' | C4' | C3' | H17 | 40.4° | 2.8° |
C4' | C3' | C2' | H17 | 118.3° | 118.7° |
C3' | C4' | O4' | H13 | 117.5° | 119.6° |
C4' | C3' | C2' | C1' | 33.7° | 20.9° |
C3' | C4' | O4' | C1' | 26.5° | 26.6° |
C3' | C4' | C5' | H11 | 68.8° | 64.3° |
C3' | C4' | C5' | H12 | 50.7° | 55.7° |
C4' | C3' | C2' | H15 | 155.3° | 97.3° |
C4' | C3' | O3' | H18 | 180.0° | 180.0° |
C2' | C3' | C4' | O4' | 37.2° | 2.1° |
C3' | C2' | C1' | H15 | 121.6° | 118.2° |
C3' | C2' | C1' | O4' | 19.2° | 37.0° |
C3' | C2' | C1' | N9 | 96.9° | 155.5° |
C2' | C3' | C4' | H13 | 81.0° | 117.5° |
C3' | C2' | C1' | H14 | 140.7° | 81.5° |
C3' | C2' | O2' | H16 | 180.0° | 67.3° |
C2' | C3' | O3' | H18 | 69.7° | 65.2° |
C4' | O4' | C1' | C2' | 4.5° | 40.1° |
C4' | O4' | C1' | N9 | 122.3° | 158.6° |
O4' | C4' | C5' | H11 | 48.4° | 53.5° |
O4' | C4' | C5' | H12 | 167.8° | 173.6° |
C4' | O4' | C1' | H14 | 116.2° | 78.5° |
O4' | C4' | C3' | H17 | 81.2° | 116.6° |
O1P | S | C22 | O2P | 123.0° | 136.7° |
O1P | S | C22 | C21 | 80.7° | 68.4° |
O1P | S | C22 | H1 | 39.5° | 51.7° |
O1P | S | C22 | H2 | 159.1° | 171.6° |
O1P | S | N5' | H10 | 59.7° | 128.9° |
C2' | C1' | O4' | N9 | 117.8° | 118.5° |
C2' | C1' | O4' | H14 | 120.7° | 118.6° |
C2' | C1' | N9 | H14 | 122.1° | 123.1° |
C2' | C1' | N9 | C8 | 103.6° | 90.5° |
C2' | C1' | N9 | C4 | 76.3° | 89.2° |
C1' | C2' | O2' | H16 | 69.2° | 180.0° |
C1' | C2' | C3' | H17 | 84.6° | 139.6° |
S | C22 | C21 | H1 | 120.2° | 120.0° |
S | C22 | C21 | H2 | 120.2° | 120.0° |
S | C22 | C21 | C19 | 140.3° | 180.0° |
S | C22 | H1 | H2 | 119.3° | 119.9° |
S | C22 | C21 | H3 | 19.5° | 60.0° |
S | C22 | C21 | H4 | 98.9° | 60.0° |
C22 | S | N5' | H10 | 178.2° | 115.0° |
O2P | S | C22 | C21 | 42.3° | 68.3° |
O2P | S | C22 | H1 | 162.5° | 171.6° |
O2P | S | C22 | H2 | 77.9° | 51.7° |
O2P | S | N5' | H10 | 60.8° | 1.1° |
C22 | C21 | C19 | H3 | 120.8° | 120.0° |
C22 | C21 | C19 | H4 | 120.8° | 119.9° |
C22 | C21 | C19 | C14 | 67.1° | 84.7° |
C22 | C21 | C19 | C18 | 114.7° | 95.0° |
C21 | C22 | H1 | H2 | 119.4° | 120.0° |
C22 | C21 | H3 | H4 | 117.5° | 120.0° |
O4' | C1' | N9 | H14 | 121.9° | 122.9° |
O4' | C1' | N9 | C8 | 12.4° | 23.5° |
O4' | C1' | N9 | C4 | 167.7° | 156.8° |
C1' | O4' | C4' | H13 | 91.0° | 93.0° |
O4' | C1' | C2' | H15 | 140.8° | 81.2° |
C1' | N9 | C8 | C4 | 179.9° | 179.8° |
C1' | N9 | C8 | N7 | 179.3° | 180.0° |
C1' | N9 | C4 | N3 | 0.2° | 0.7° |
C1' | N9 | C4 | C5 | 179.5° | 179.9° |
N9 | C1' | C2' | H15 | 24.7° | 37.3° |
C1' | N9 | C8 | H19 | 0.7° | 0.1° |
O14 | C14 | C19 | C21 | 1.5° | 0.0° |
O14 | C14 | C19 | C15 | 179.1° | 179.7° |
O14 | C14 | C19 | C18 | 179.6° | 179.7° |
O14 | C14 | C15 | O15 | 0.1° | 0.1° |
O14 | C14 | C15 | C16 | 179.9° | 179.8° |
C21 | C19 | C14 | C18 | 178.2° | 179.7° |
C21 | C19 | C14 | C15 | 179.5° | 179.7° |
C21 | C19 | C18 | C17 | 179.5° | 180.0° |
C19 | C21 | C22 | H1 | 99.5° | 60.0° |
C19 | C21 | C22 | H2 | 20.1° | 60.0° |
C19 | C21 | H3 | H4 | 117.5° | 120.0° |
C21 | C19 | C18 | H5 | 0.4° | 0.0° |
N9 | C8 | N7 | H19 | 180.0° | 179.9° |
C8 | N9 | C4 | N3 | 179.8° | 179.5° |
C8 | N9 | C4 | C5 | 0.5° | 0.3° |
N9 | C8 | N7 | C5 | 0.7° | 0.0° |
C8 | N9 | C1' | H14 | 134.3° | 146.4° |
C4 | N9 | C8 | N7 | 0.8° | 0.2° |
N9 | C4 | N3 | C5 | 179.7° | 179.0° |
N9 | C4 | N3 | C2 | 179.5° | 179.6° |
N9 | C4 | C5 | N7 | 0.1° | 0.4° |
N9 | C4 | C5 | C6 | 179.5° | 179.8° |
C4 | N9 | C1' | H14 | 45.8° | 33.9° |
C4 | N9 | C8 | H19 | 179.3° | 179.7° |
C19 | C14 | C15 | O15 | 179.1° | 179.8° |
C19 | C14 | C15 | C16 | 0.8° | 0.6° |
C14 | C19 | C18 | C17 | 1.3° | 0.3° |
C14 | C19 | C21 | H3 | 172.1° | 35.3° |
C14 | C19 | C21 | H4 | 53.7° | 155.3° |
C14 | C19 | C18 | H5 | 178.7° | 179.7° |
C19 | C14 | O14 | H9 | 180.0° | 90.0° |
C15 | C14 | C19 | C18 | 1.3° | 0.6° |
C14 | C15 | O15 | C16 | 180.0° | 179.7° |
C14 | C15 | C16 | C17 | 0.4° | 0.3° |
C14 | C15 | C16 | H7 | 179.7° | 179.8° |
C14 | C15 | O15 | H8 | 180.0° | 89.6° |
C15 | C14 | O14 | H9 | 0.9° | 89.7° |
C8 | N7 | C5 | C4 | 0.3° | 0.3° |
C8 | N7 | C5 | C6 | 179.9° | 180.0° |
C19 | C18 | C17 | H5 | 180.0° | 180.0° |
C19 | C18 | C17 | C16 | 0.8° | 0.1° |
C18 | C19 | C21 | H3 | 6.1° | 145.0° |
C18 | C19 | C21 | H4 | 124.5° | 25.0° |
C19 | C18 | C17 | H6 | 179.2° | 180.0° |
N3 | C4 | C5 | N7 | 179.9° | 179.7° |
C4 | N3 | C2 | N1 | 0.1° | 0.2° |
N3 | C4 | C5 | C6 | 0.2° | 0.5° |
C4 | N3 | C2 | H22 | 179.9° | 179.7° |
C2 | N3 | C4 | C5 | 0.1° | 0.5° |
N3 | C2 | N1 | H22 | 180.0° | 180.0° |
N3 | C2 | N1 | C6 | 0.2° | 0.1° |
O15 | C15 | C16 | C17 | 179.6° | 180.0° |
O15 | C15 | C16 | H7 | 0.4° | 0.1° |
C4 | C5 | N7 | C6 | 179.5° | 179.8° |
C4 | C5 | C6 | N1 | 0.2° | 0.2° |
C4 | C5 | C6 | N6 | 179.9° | 179.7° |
C15 | C16 | C17 | C18 | 0.3° | 0.1° |
C15 | C16 | C17 | H7 | 180.0° | 179.9° |
C15 | C16 | C17 | H6 | 179.6° | 180.0° |
C16 | C15 | O15 | H8 | 0.1° | 90.0° |
C18 | C17 | C16 | H6 | 180.0° | 180.0° |
C18 | C17 | C16 | H7 | 179.7° | 180.0° |
N7 | C5 | C6 | N1 | 179.7° | 180.0° |
N7 | C5 | C6 | N6 | 0.4° | 0.0° |
C5 | N7 | C8 | H19 | 179.4° | 180.0° |
C2 | N1 | C6 | C5 | 0.1° | 0.0° |
C2 | N1 | C6 | N6 | 179.9° | 180.0° |
C5 | C6 | N1 | N6 | 180.0° | 180.0° |
C5 | C6 | N6 | H20 | 180.0° | 0.0° |
C5 | C6 | N6 | H21 | 60.0° | 179.9° |
C16 | C17 | C18 | H5 | 179.2° | 180.0° |
N1 | C6 | N6 | H20 | 0.0° | 180.0° |
N1 | C6 | N6 | H21 | 120.0° | 0.0° |
C6 | N1 | C2 | H22 | 179.8° | 180.0° |
C6 | N6 | H20 | H21 | 120.0° | 179.9° |
H1 | C22 | C21 | H3 | 139.7° | 180.0° |
H1 | C22 | C21 | H4 | 21.3° | 60.0° |
H2 | C22 | C21 | H3 | 100.7° | 60.0° |
H2 | C22 | C21 | H4 | 140.9° | 180.0° |
H5 | C18 | C17 | H6 | 0.9° | 0.0° |
H6 | C17 | C16 | H7 | 0.4° | 0.0° |
H10 | N5' | C5' | H11 | 137.0° | 105.0° |
H10 | N5' | C5' | H12 | 103.5° | 135.0° |
H11 | C5' | C4' | H13 | 171.1° | 174.6° |
H12 | C5' | C4' | H13 | 69.5° | 65.4° |
H13 | C4' | C3' | H17 | 160.5° | 123.8° |
H14 | C1' | C2' | H15 | 97.7° | 160.3° |
H15 | C2' | O2' | H16 | 54.3° | 56.4° |
H15 | C2' | C3' | H17 | 36.9° | 21.4° |
H17 | C3' | O3' | H18 | 56.7° | 57.4° |