D3N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3' | C3' | sing | 1.43Å | 1.48Å | |
C2' | C3' | sing | 1.55Å | 1.53Å | |
C2' | C1' | sing | 1.54Å | 1.50Å | |
C3' | C4' | sing | 1.55Å | 1.50Å | |
C1' | N1 | sing | 1.46Å | 1.44Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
O2 | C2 | doub | 1.22Å | 1.24Å | |
N1 | C2 | sing | 1.35Å | 1.35Å | |
N1 | C6 | sing | 1.39Å | 1.41Å | |
C2 | N3 | sing | 1.35Å | 1.36Å | |
C7 | C6 | doub | 1.38Å | 1.35Å | Aromatic |
C7 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
C6 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
C4' | O4' | sing | 1.44Å | 1.40Å | |
C4' | C5' | sing | 1.53Å | 1.51Å | |
C8 | C9 | doub | 1.36Å | 1.36Å | Aromatic |
N3 | C4 | sing | 1.39Å | 1.41Å | |
C5 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
C5 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
C4 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
C9 | C10 | sing | 1.41Å | 1.37Å | Aromatic |
C10 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
C5' | O5' | sing | 1.43Å | 1.39Å | |
C11 | C12 | sing | 1.36Å | 1.37Å | Aromatic |
O5' | P | sing | 1.61Å | 1.61Å | |
O2P | P | doub | 1.48Å | 1.46Å | |
P | O1P | sing | 1.61Å | 1.50Å | |
O1P | H1 | sing | 0.97Å | 0.95Å | |
C5' | H3 | sing | 1.09Å | 1.10Å | |
C5' | H4 | sing | 1.09Å | 1.10Å | |
C4' | H5 | sing | 1.09Å | 1.10Å | |
C3' | H6 | sing | 1.09Å | 1.10Å | |
O3' | H7 | sing | 0.97Å | 0.95Å | |
C2' | H8 | sing | 1.09Å | 1.10Å | |
C2' | H9 | sing | 1.09Å | 1.10Å | |
C1' | H10 | sing | 1.09Å | 1.10Å | |
N3 | H11 | sing | 0.97Å | 1.00Å | |
C7 | H12 | sing | 1.08Å | 1.08Å | |
C8 | H13 | sing | 1.08Å | 1.08Å | |
C9 | H14 | sing | 1.08Å | 1.08Å | |
C11 | H15 | sing | 1.08Å | 1.08Å | |
C12 | H16 | sing | 1.08Å | 1.08Å | |
C13 | H17 | sing | 1.08Å | 1.08Å | |
P | OP3 | sing | 1.61Å | 15.80Å | |
OP3 | H2 | sing | 0.97Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3' | C3' | C2' | 113.8° | 110.9° |
O3' | C3' | C4' | 103.3° | 110.9° |
O3' | C3' | H6 | 112.0° | 110.8° |
C3' | O3' | H7 | 109.5° | 114.0° |
C3' | C2' | C1' | 105.4° | 104.2° |
C2' | C3' | C4' | 104.1° | 102.1° |
C2' | C3' | H6 | 111.3° | 110.9° |
C3' | C2' | H8 | 110.5° | 110.5° |
C3' | C2' | H9 | 110.5° | 110.4° |
C2' | C1' | N1 | 120.6° | 109.9° |
C2' | C1' | O4' | 107.9° | 107.3° |
C1' | C2' | H8 | 110.5° | 110.5° |
C1' | C2' | H9 | 110.5° | 110.5° |
C2' | C1' | H10 | 107.6° | 109.9° |
C3' | C4' | O4' | 108.2° | 103.5° |
C3' | C4' | C5' | 111.2° | 110.6° |
C3' | C4' | H5 | 109.8° | 110.8° |
C4' | C3' | H6 | 111.8° | 110.9° |
N1 | C1' | O4' | 103.4° | 109.9° |
C1' | N1 | C2 | 119.2° | 119.8° |
C1' | N1 | C6 | 116.8° | 119.9° |
N1 | C1' | H10 | 108.3° | 109.8° |
C1' | O4' | C4' | 109.7° | 106.9° |
O4' | C1' | H10 | 108.6° | 110.1° |
O2 | C2 | N1 | 122.8° | 118.8° |
O2 | C2 | N3 | 120.1° | 118.8° |
C2 | N1 | C6 | 123.8° | 120.4° |
N1 | C2 | N3 | 117.1° | 122.4° |
N1 | C6 | C7 | 124.2° | 122.1° |
N1 | C6 | C5 | 117.2° | 118.7° |
C2 | N3 | C4 | 123.8° | 120.4° |
C2 | N3 | H11 | 118.1° | 119.8° |
C6 | C7 | C8 | 119.6° | 120.4° |
C7 | C6 | C5 | 118.6° | 119.2° |
C6 | C7 | H12 | 120.2° | 119.9° |
C7 | C8 | C9 | 123.0° | 121.5° |
C8 | C7 | H12 | 120.2° | 119.8° |
C7 | C8 | H13 | 118.5° | 119.3° |
C6 | C5 | C4 | 120.5° | 119.6° |
C6 | C5 | C10 | 120.9° | 120.2° |
O4' | C4' | C5' | 106.9° | 110.6° |
O4' | C4' | H5 | 111.2° | 110.6° |
C4' | C5' | O5' | 111.9° | 109.5° |
C4' | C5' | H3 | 108.9° | 109.5° |
C4' | C5' | H4 | 108.8° | 109.4° |
C5' | C4' | H5 | 109.5° | 110.5° |
C8 | C9 | C10 | 118.4° | 119.9° |
C9 | C8 | H13 | 118.5° | 119.3° |
C8 | C9 | H14 | 120.8° | 120.1° |
N3 | C4 | C5 | 117.6° | 118.6° |
N3 | C4 | C13 | 120.2° | 122.2° |
C4 | N3 | H11 | 118.1° | 119.8° |
C4 | C5 | C10 | 118.6° | 120.2° |
C5 | C4 | C13 | 122.2° | 119.1° |
C5 | C10 | C9 | 119.6° | 118.9° |
C5 | C10 | C11 | 118.9° | 118.9° |
C4 | C13 | C12 | 119.1° | 120.4° |
C4 | C13 | H17 | 120.5° | 119.8° |
C9 | C10 | C11 | 121.5° | 122.2° |
C10 | C9 | H14 | 120.8° | 120.0° |
C10 | C11 | C12 | 121.9° | 119.8° |
C10 | C11 | H15 | 119.1° | 120.1° |
C13 | C12 | C11 | 119.3° | 121.5° |
C13 | C12 | H16 | 120.3° | 119.3° |
C12 | C13 | H17 | 120.5° | 119.8° |
C5' | O5' | P | 117.9° | 123.0° |
O5' | C5' | H3 | 108.8° | 109.5° |
O5' | C5' | H4 | 108.9° | 109.4° |
C12 | C11 | H15 | 119.1° | 120.1° |
C11 | C12 | H16 | 120.4° | 119.2° |
O5' | P | O2P | 113.6° | 109.5° |
O5' | P | O1P | 106.4° | 109.5° |
O5' | P | OP3 | 29.7° | 109.5° |
O2P | P | O1P | 117.1° | 109.5° |
O2P | P | OP3 | 134.5° | 109.5° |
P | O1P | H1 | 109.5° | 113.9° |
O1P | P | OP3 | 77.3° | 109.5° |
H3 | C5' | H4 | 109.5° | 109.5° |
H8 | C2' | H9 | 109.5° | 110.5° |
P | OP3 | H2 | 90.0° | 113.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3' | C3' | C2' | C4' | 111.7° | 118.2° |
O3' | C3' | C2' | H6 | 127.7° | 123.6° |
O3' | C3' | C2' | C1' | 122.7° | 139.1° |
O3' | C3' | C4' | H6 | 120.6° | 123.6° |
O3' | C3' | C4' | O4' | 139.4° | 155.2° |
O3' | C3' | C4' | C5' | 103.5° | 86.3° |
O3' | C3' | C4' | H5 | 17.9° | 36.6° |
O3' | C3' | C2' | H8 | 117.9° | 102.2° |
O3' | C3' | C2' | H9 | 3.4° | 20.4° |
C3' | C2' | C1' | H8 | 119.4° | 118.7° |
C3' | C2' | C1' | H9 | 119.3° | 118.6° |
C2' | C3' | C4' | H6 | 120.3° | 118.2° |
C3' | C2' | C1' | N1 | 119.8° | 121.5° |
C3' | C2' | C1' | O4' | 1.5° | 2.1° |
C2' | C3' | C4' | O4' | 20.2° | 37.0° |
C2' | C3' | C4' | C5' | 137.4° | 155.5° |
C2' | C3' | C4' | H5 | 101.2° | 81.6° |
C2' | C3' | O3' | H7 | 180.0° | 67.3° |
C3' | C2' | H8 | H9 | 121.8° | 122.6° |
C3' | C2' | C1' | H10 | 115.5° | 117.6° |
C1' | C2' | C3' | C4' | 11.0° | 20.8° |
C2' | C1' | N1 | O4' | 120.5° | 117.8° |
C2' | C1' | N1 | H10 | 124.4° | 121.0° |
C2' | C1' | O4' | H10 | 116.3° | 119.5° |
C2' | C1' | N1 | C2 | 50.3° | 68.3° |
C2' | C1' | N1 | C6 | 134.2° | 111.4° |
C2' | C1' | O4' | C4' | 14.7° | 26.5° |
C1' | C2' | C3' | H6 | 109.6° | 97.3° |
C1' | C2' | H8 | H9 | 121.9° | 122.6° |
C3' | C4' | O4' | C1' | 22.3° | 40.1° |
C3' | C4' | O4' | C5' | 119.8° | 118.5° |
C3' | C4' | O4' | H5 | 120.6° | 118.7° |
C3' | C4' | C5' | H5 | 121.5° | 123.1° |
C3' | C4' | C5' | O5' | 153.6° | 179.4° |
C3' | C4' | C5' | H3 | 33.3° | 60.5° |
C3' | C4' | C5' | H4 | 86.0° | 59.5° |
C4' | C3' | O3' | H7 | 67.8° | 180.0° |
C4' | C3' | C2' | H8 | 130.4° | 139.6° |
C4' | C3' | C2' | H9 | 108.4° | 97.8° |
N1 | C1' | O4' | H10 | 114.9° | 121.1° |
C1' | N1 | C2 | O2 | 4.4° | 0.0° |
C1' | N1 | C2 | C6 | 175.1° | 179.7° |
C1' | N1 | C2 | N3 | 175.9° | 180.0° |
C1' | N1 | C6 | C7 | 5.0° | 0.0° |
C1' | N1 | C6 | C5 | 175.3° | 179.8° |
N1 | C1' | O4' | C4' | 143.5° | 146.0° |
N1 | C1' | C2' | H8 | 0.4° | 2.8° |
N1 | C1' | C2' | H9 | 120.9° | 119.9° |
O4' | C1' | N1 | C2 | 70.2° | 49.5° |
O4' | C1' | N1 | C6 | 105.3° | 130.8° |
C1' | O4' | C4' | C5' | 142.1° | 158.6° |
C1' | O4' | C4' | H5 | 98.3° | 78.6° |
O4' | C1' | C2' | H8 | 117.8° | 116.6° |
O4' | C1' | C2' | H9 | 120.9° | 120.7° |
O2 | C2 | N1 | N3 | 179.7° | 179.9° |
O2 | C2 | N1 | C6 | 179.5° | 179.7° |
O2 | C2 | N3 | C4 | 178.6° | 180.0° |
O2 | C2 | N3 | H11 | 1.3° | 0.0° |
C2 | N1 | C6 | C7 | 179.7° | 179.7° |
C2 | N1 | C6 | C5 | 0.0° | 0.5° |
N1 | C2 | N3 | C4 | 1.7° | 0.1° |
C2 | N1 | C1' | H10 | 174.6° | 170.7° |
N1 | C2 | N3 | H11 | 178.3° | 180.0° |
C6 | N1 | C2 | N3 | 0.8° | 0.2° |
N1 | C6 | C7 | C5 | 179.7° | 179.7° |
N1 | C6 | C7 | C8 | 178.8° | 180.0° |
N1 | C6 | C5 | C4 | 0.1° | 0.5° |
N1 | C6 | C5 | C10 | 179.4° | 179.7° |
C6 | N1 | C1' | H10 | 9.9° | 9.6° |
N1 | C6 | C7 | H12 | 1.3° | 0.0° |
C2 | N3 | C4 | H11 | 180.0° | 180.0° |
C2 | N3 | C4 | C5 | 1.8° | 0.1° |
C2 | N3 | C4 | C13 | 179.2° | 179.9° |
C6 | C7 | C8 | H12 | 180.0° | 180.0° |
C6 | C7 | C8 | C9 | 0.1° | 0.0° |
C7 | C6 | C5 | C4 | 179.8° | 179.7° |
C7 | C6 | C5 | C10 | 0.3° | 0.1° |
C6 | C7 | C8 | H13 | 179.9° | 180.0° |
C8 | C7 | C6 | C5 | 0.9° | 0.2° |
C7 | C8 | C9 | H13 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 1.4° | 0.6° |
C7 | C8 | C9 | H14 | 178.5° | 180.0° |
C6 | C5 | C4 | N3 | 0.9° | 0.2° |
C6 | C5 | C4 | C10 | 179.5° | 179.8° |
C6 | C5 | C4 | C13 | 179.9° | 179.8° |
C6 | C5 | C10 | C9 | 1.2° | 0.6° |
C6 | C5 | C10 | C11 | 178.7° | 179.8° |
C5 | C6 | C7 | H12 | 179.0° | 179.7° |
O4' | C4' | C5' | H5 | 120.6° | 122.8° |
O4' | C4' | C5' | O5' | 88.4° | 66.5° |
O4' | C4' | C5' | H3 | 151.2° | 53.6° |
O4' | C4' | C5' | H4 | 31.9° | 173.6° |
O4' | C4' | C3' | H6 | 100.0° | 81.2° |
C4' | O4' | C1' | H10 | 101.6° | 93.0° |
C4' | C5' | O5' | H3 | 120.4° | 120.0° |
C4' | C5' | O5' | H4 | 120.3° | 120.0° |
C4' | C5' | O5' | P | 150.7° | 180.0° |
C4' | C5' | H3 | H4 | 118.9° | 120.0° |
C5' | C4' | C3' | H6 | 17.1° | 37.3° |
C8 | C9 | C10 | C5 | 2.0° | 0.9° |
C8 | C9 | C10 | H14 | 180.0° | 179.5° |
C8 | C9 | C10 | C11 | 177.8° | 180.0° |
C9 | C8 | C7 | H12 | 179.9° | 180.0° |
N3 | C4 | C5 | C13 | 179.0° | 180.0° |
N3 | C4 | C5 | C10 | 178.6° | 180.0° |
N3 | C4 | C13 | C12 | 179.8° | 180.0° |
N3 | C4 | C13 | H17 | 0.2° | 0.0° |
C4 | C5 | C10 | C9 | 178.3° | 179.2° |
C4 | C5 | C10 | C11 | 1.9° | 0.0° |
C5 | C4 | C13 | C12 | 0.8° | 0.0° |
C5 | C4 | N3 | H11 | 178.3° | 180.0° |
C5 | C4 | C13 | H17 | 179.2° | 180.0° |
C10 | C5 | C4 | C13 | 0.4° | 0.0° |
C5 | C10 | C9 | C11 | 179.8° | 179.1° |
C5 | C10 | C11 | C12 | 2.1° | 0.0° |
C5 | C10 | C9 | H14 | 178.0° | 179.7° |
C5 | C10 | C11 | H15 | 177.9° | 180.0° |
C4 | C13 | C12 | H17 | 180.0° | 180.0° |
C4 | C13 | C12 | C11 | 0.6° | 0.0° |
C13 | C4 | N3 | H11 | 0.8° | 0.0° |
C4 | C13 | C12 | H16 | 179.4° | 179.9° |
C9 | C10 | C11 | C12 | 178.0° | 179.1° |
C10 | C9 | C8 | H13 | 178.6° | 179.4° |
C9 | C10 | C11 | H15 | 2.0° | 0.9° |
C10 | C11 | C12 | C13 | 0.9° | 0.0° |
C10 | C11 | C12 | H15 | 180.0° | 180.0° |
C11 | C10 | C9 | H14 | 2.2° | 0.6° |
C10 | C11 | C12 | H16 | 179.1° | 180.0° |
C13 | C12 | C11 | H16 | 180.0° | 179.9° |
C13 | C12 | C11 | H15 | 179.1° | 180.0° |
C5' | O5' | P | O2P | 79.2° | 55.0° |
C5' | O5' | P | O1P | 51.0° | 65.0° |
O5' | C5' | H3 | H4 | 118.9° | 120.0° |
O5' | C5' | C4' | H5 | 32.1° | 56.4° |
C5' | O5' | P | OP3 | 62.1° | 175.0° |
C11 | C12 | C13 | H17 | 179.4° | 180.0° |
O5' | P | O2P | O1P | 124.7° | 120.1° |
O5' | P | O2P | OP3 | 25.7° | 120.0° |
O5' | P | O1P | OP3 | 5.6° | 120.0° |
O5' | P | O1P | H1 | 128.2° | 60.0° |
P | O5' | C5' | H3 | 30.3° | 60.0° |
P | O5' | C5' | H4 | 89.0° | 60.0° |
O5' | P | OP3 | H2 | 90.0° | 179.9° |
O2P | P | O1P | OP3 | 133.8° | 120.0° |
O2P | P | O1P | H1 | 0.0° | 180.0° |
O2P | P | OP3 | H2 | 90.0° | 60.0° |
O1P | P | OP3 | H2 | 90.0° | 60.0° |
H1 | O1P | P | OP3 | 133.8° | 60.0° |
H3 | C5' | C4' | H5 | 88.2° | 176.4° |
H4 | C5' | C4' | H5 | 152.5° | 63.6° |
H5 | C4' | C3' | H6 | 138.5° | 160.3° |
H6 | C3' | O3' | H7 | 52.6° | 56.3° |
H6 | C3' | C2' | H8 | 9.8° | 21.4° |
H6 | C3' | C2' | H9 | 131.1° | 144.0° |
H8 | C2' | C1' | H10 | 125.1° | 123.7° |
H9 | C2' | C1' | H10 | 3.8° | 1.1° |
H12 | C7 | C8 | H13 | 0.1° | 0.0° |
H13 | C8 | C9 | H14 | 1.5° | 0.0° |
H15 | C11 | C12 | H16 | 0.9° | 0.1° |
H16 | C12 | C13 | H17 | 0.6° | 0.0° |