SVS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
S | O2P | doub | 1.42Å | 1.43Å | |
N1 | C6 | sing | 1.33Å | 1.36Å | Aromatic |
C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
C5 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
C6 | N6 | sing | 1.38Å | 1.36Å | |
N6 | HN6 | sing | 0.97Å | 1.00Å | |
N6 | HN6A | sing | 0.97Å | 1.00Å | |
C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.08Å | |
N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
C1' | N9 | sing | 1.46Å | 1.48Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C14 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
O14 | C14 | sing | 1.36Å | 1.37Å | |
O14 | HO14 | sing | 0.97Å | 0.95Å | |
C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
C16 | H16 | sing | 1.08Å | 1.08Å | |
C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
C17 | H17 | sing | 1.08Å | 1.08Å | |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
C19 | C21 | sing | 1.51Å | 1.54Å | |
O1P | S | doub | 1.42Å | 1.45Å | |
C2' | C1' | sing | 1.55Å | 1.51Å | |
C2' | H2' | sing | 1.09Å | 1.10Å | |
O2' | C2' | sing | 1.43Å | 1.43Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C22 | S | sing | 1.81Å | 1.69Å | |
C22 | C21 | sing | 1.53Å | 1.54Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C3' | C2' | sing | 1.55Å | 1.51Å | |
C3' | C4' | sing | 1.55Å | 1.50Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | C3' | sing | 1.43Å | 1.43Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C4' | C5' | sing | 1.53Å | 1.51Å | |
C4' | O4' | sing | 1.44Å | 1.42Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
C5' | N5' | sing | 1.46Å | 1.44Å | |
C5' | H5' | sing | 1.09Å | 1.10Å | |
C5' | H5'A | sing | 1.09Å | 1.10Å | |
N5' | S | sing | 1.66Å | 1.59Å | |
N5' | HN5' | sing | 0.97Å | 1.00Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C22 | H221 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2P | S | O1P | 108.5° | 121.0° |
O2P | S | C22 | 111.1° | 110.5° |
O2P | S | N5' | 106.5° | 104.3° |
C6 | N1 | C2 | 120.5° | 121.2° |
N1 | C6 | C5 | 119.0° | 118.4° |
N1 | C6 | N6 | 119.6° | 120.8° |
N1 | C2 | H2 | 119.3° | 118.8° |
N1 | C2 | N3 | 121.4° | 122.5° |
H2 | C2 | N3 | 119.3° | 118.7° |
C2 | N3 | C4 | 120.7° | 120.6° |
N3 | C4 | C5 | 119.2° | 119.1° |
N3 | C4 | N9 | 133.0° | 134.9° |
C4 | C5 | C6 | 119.1° | 118.2° |
C4 | C5 | N7 | 106.7° | 107.2° |
C5 | C4 | N9 | 107.8° | 106.0° |
C6 | C5 | N7 | 134.2° | 134.6° |
C5 | C6 | N6 | 121.4° | 120.8° |
C5 | N7 | C8 | 108.1° | 109.4° |
C6 | N6 | HN6 | 109.5° | 120.0° |
C6 | N6 | HN6A | 109.5° | 120.0° |
HN6 | N6 | HN6A | 109.5° | 120.0° |
N7 | C8 | H8 | 125.7° | 125.0° |
N7 | C8 | N9 | 108.7° | 110.0° |
H8 | C8 | N9 | 125.7° | 125.0° |
C4 | N9 | C8 | 108.7° | 107.4° |
C4 | N9 | C1' | 126.2° | 126.3° |
C8 | N9 | C1' | 125.1° | 126.3° |
N9 | C1' | O4' | 108.0° | 110.4° |
N9 | C1' | H1' | 105.9° | 110.4° |
N9 | C1' | C2' | 115.1° | 110.4° |
O4' | C1' | H1' | 114.1° | 110.4° |
O4' | C1' | C2' | 107.0° | 104.8° |
C1' | O4' | C4' | 108.5° | 105.3° |
H1' | C1' | C2' | 107.0° | 110.4° |
C19 | C14 | O14 | 123.8° | 120.1° |
C19 | C14 | C15 | 119.7° | 119.9° |
C14 | C19 | C18 | 117.7° | 119.9° |
C14 | C19 | C21 | 125.7° | 120.0° |
C14 | O14 | HO14 | 109.5° | 114.0° |
O14 | C14 | C15 | 116.4° | 120.0° |
C14 | C15 | C16 | 121.6° | 120.0° |
C14 | C15 | H15 | 119.2° | 120.0° |
C16 | C15 | H15 | 119.2° | 120.0° |
C15 | C16 | C17 | 118.9° | 120.0° |
C15 | C16 | H16 | 120.5° | 120.0° |
C17 | C16 | H16 | 120.5° | 120.0° |
C16 | C17 | C18 | 120.0° | 120.1° |
C16 | C17 | H17 | 120.0° | 120.0° |
C18 | C17 | H17 | 120.0° | 119.9° |
C17 | C18 | H18 | 119.0° | 120.0° |
C17 | C18 | C19 | 122.0° | 120.1° |
H18 | C18 | C19 | 119.0° | 119.9° |
C18 | C19 | C21 | 116.4° | 120.1° |
C19 | C21 | H21 | 107.1° | 109.5° |
C19 | C21 | C22 | 116.7° | 109.5° |
C19 | C21 | H211 | 107.2° | 109.5° |
O1P | S | C22 | 112.9° | 110.6° |
O1P | S | N5' | 107.8° | 104.3° |
C1' | C2' | H2' | 113.3° | 110.5° |
C1' | C2' | O2' | 106.1° | 110.5° |
C1' | C2' | C3' | 105.6° | 104.1° |
H2' | C2' | O2' | 111.8° | 110.5° |
H2' | C2' | C3' | 112.3° | 110.4° |
C2' | O2' | HO2' | 109.5° | 114.0° |
O2' | C2' | C3' | 107.2° | 110.6° |
H21 | C21 | C22 | 107.1° | 109.4° |
H21 | C21 | H211 | 111.7° | 109.5° |
S | C22 | C21 | 115.9° | 109.5° |
S | C22 | H22 | 107.4° | 109.5° |
C22 | S | N5' | 109.8° | 104.4° |
S | C22 | H221 | 107.4° | 109.5° |
C21 | C22 | H22 | 107.4° | 109.5° |
C22 | C21 | H211 | 107.1° | 109.5° |
C21 | C22 | H221 | 107.4° | 109.4° |
H22 | C22 | H221 | 111.5° | 109.5° |
C2' | C3' | C4' | 102.7° | 104.0° |
C2' | C3' | H3' | 112.3° | 110.6° |
C2' | C3' | O3' | 111.6° | 110.5° |
C4' | C3' | H3' | 114.9° | 110.5° |
C4' | C3' | O3' | 108.9° | 110.5° |
C3' | C4' | C5' | 111.8° | 110.3° |
C3' | C4' | O4' | 106.2° | 104.8° |
C3' | C4' | H4' | 109.7° | 110.4° |
H3' | C3' | O3' | 106.5° | 110.6° |
C3' | O3' | HO3' | 109.5° | 114.0° |
C5' | C4' | O4' | 108.0° | 110.4° |
C5' | C4' | H4' | 107.9° | 110.3° |
C4' | C5' | N5' | 106.6° | 109.5° |
C4' | C5' | H5' | 110.5° | 109.4° |
C4' | C5' | H5'A | 110.5° | 109.5° |
O4' | C4' | H4' | 113.3° | 110.5° |
N5' | C5' | H5' | 110.4° | 109.5° |
N5' | C5' | H5'A | 110.4° | 109.5° |
C5' | N5' | S | 118.9° | 120.0° |
C5' | N5' | HN5' | 106.4° | 120.0° |
H5' | C5' | H5'A | 108.5° | 109.5° |
S | N5' | HN5' | 106.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2P | S | O1P | C22 | 123.6° | 131.5° |
O2P | S | O1P | N5' | 114.9° | 116.8° |
O2P | S | C22 | N5' | 117.5° | 111.7° |
O2P | S | C22 | C21 | 9.1° | 68.3° |
O2P | S | C22 | H22 | 110.9° | 51.7° |
O2P | S | N5' | C5' | 153.2° | 51.1° |
O2P | S | N5' | HN5' | 33.2° | 128.9° |
O2P | S | C22 | H221 | 129.1° | 171.7° |
C6 | N1 | C2 | H2 | 179.9° | 180.0° |
C6 | N1 | C2 | N3 | 0.1° | 0.1° |
N1 | C6 | C5 | C4 | 0.0° | 0.0° |
N1 | C6 | C5 | N6 | 179.6° | 180.0° |
N1 | C6 | C5 | N7 | 179.7° | 179.9° |
N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
N1 | C6 | N6 | HN6A | 120.0° | 180.0° |
N1 | C2 | H2 | N3 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.1° | 0.1° |
C2 | N1 | C6 | C5 | 0.1° | 0.0° |
C2 | N1 | C6 | N6 | 179.6° | 180.0° |
H2 | C2 | N3 | C4 | 180.0° | 180.0° |
C2 | N3 | C4 | C5 | 0.0° | 0.0° |
C2 | N3 | C4 | N9 | 179.9° | 180.0° |
N3 | C4 | C5 | N9 | 179.9° | 180.0° |
N3 | C4 | C5 | C6 | 0.0° | 0.0° |
N3 | C4 | C5 | N7 | 179.7° | 180.0° |
N3 | C4 | N9 | C8 | 179.5° | 180.0° |
N3 | C4 | N9 | C1' | 1.2° | 0.0° |
C4 | C5 | C6 | N7 | 179.7° | 179.9° |
C4 | C5 | C6 | N6 | 179.6° | 180.0° |
C4 | C5 | N7 | C8 | 0.0° | 0.0° |
C5 | C4 | N9 | C8 | 0.6° | 0.0° |
C5 | C4 | N9 | C1' | 178.9° | 179.9° |
C5 | C6 | N6 | HN6 | 179.6° | 180.0° |
C5 | C6 | N6 | HN6A | 59.6° | 0.0° |
C6 | C5 | N7 | C8 | 179.7° | 180.0° |
C6 | C5 | C4 | N9 | 179.9° | 180.0° |
N7 | C5 | C6 | N6 | 0.1° | 0.1° |
C5 | N7 | C8 | H8 | 179.6° | 180.0° |
N7 | C5 | C4 | N9 | 0.3° | 0.0° |
C5 | N7 | C8 | N9 | 0.4° | 0.0° |
C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
N7 | C8 | H8 | N9 | 180.0° | 180.0° |
N7 | C8 | N9 | C4 | 0.6° | 0.0° |
N7 | C8 | N9 | C1' | 179.0° | 179.9° |
H8 | C8 | N9 | C4 | 179.4° | 180.0° |
H8 | C8 | N9 | C1' | 1.0° | 0.1° |
C4 | N9 | C8 | C1' | 178.4° | 179.9° |
C4 | N9 | C1' | O4' | 164.0° | 156.4° |
C4 | N9 | C1' | H1' | 41.4° | 34.1° |
C4 | N9 | C1' | C2' | 76.5° | 88.2° |
C8 | N9 | C1' | O4' | 14.1° | 23.5° |
C8 | N9 | C1' | H1' | 136.7° | 145.8° |
C8 | N9 | C1' | C2' | 105.4° | 91.9° |
N9 | C1' | O4' | H1' | 117.5° | 122.3° |
N9 | C1' | O4' | C2' | 124.4° | 118.8° |
N9 | C1' | H1' | C2' | 123.2° | 122.3° |
N9 | C1' | C2' | H2' | 4.7° | 24.2° |
N9 | C1' | C2' | O2' | 127.7° | 98.4° |
N9 | C1' | C2' | C3' | 118.7° | 142.8° |
N9 | C1' | O4' | C4' | 143.0° | 159.3° |
O4' | C1' | H1' | C2' | 118.1° | 115.4° |
O4' | C1' | C2' | H2' | 124.7° | 94.7° |
O4' | C1' | C2' | O2' | 112.2° | 142.7° |
O4' | C1' | C2' | C3' | 1.4° | 23.9° |
C1' | O4' | C4' | C3' | 31.3° | 40.5° |
C1' | O4' | C4' | C5' | 151.4° | 159.3° |
C1' | O4' | C4' | H4' | 89.2° | 78.4° |
H1' | C1' | C2' | H2' | 112.6° | 146.5° |
H1' | C1' | C2' | O2' | 10.4° | 23.9° |
H1' | C1' | C2' | C3' | 124.0° | 94.9° |
H1' | C1' | O4' | C4' | 99.6° | 78.4° |
C19 | C14 | O14 | C15 | 179.1° | 179.7° |
C19 | C14 | O14 | HO14 | 180.0° | 90.0° |
C19 | C14 | C15 | C16 | 0.6° | 0.0° |
C19 | C14 | C15 | H15 | 179.4° | 180.0° |
C14 | C19 | C18 | C17 | 1.7° | 0.0° |
C14 | C19 | C18 | H18 | 178.3° | 180.0° |
C14 | C19 | C18 | C21 | 176.3° | 179.7° |
C14 | C19 | C21 | H21 | 66.1° | 155.0° |
C14 | C19 | C21 | C22 | 53.9° | 85.0° |
C14 | C19 | C21 | H211 | 173.9° | 35.0° |
O14 | C14 | C15 | C16 | 179.8° | 179.7° |
O14 | C14 | C15 | H15 | 0.2° | 0.3° |
O14 | C14 | C19 | C18 | 179.3° | 179.7° |
O14 | C14 | C19 | C21 | 3.4° | 0.0° |
HO14 | O14 | C14 | C15 | 0.9° | 89.7° |
C14 | C15 | C16 | H15 | 180.0° | 180.0° |
C14 | C15 | C16 | C17 | 0.3° | 0.0° |
C14 | C15 | C16 | H16 | 179.6° | 179.9° |
C15 | C14 | C19 | C18 | 1.6° | 0.0° |
C15 | C14 | C19 | C21 | 177.6° | 179.7° |
C15 | C16 | C17 | H16 | 180.0° | 180.0° |
C15 | C16 | C17 | C18 | 0.3° | 0.0° |
C15 | C16 | C17 | H17 | 179.7° | 180.0° |
H15 | C15 | C16 | C17 | 179.7° | 180.0° |
H15 | C15 | C16 | H16 | 0.4° | 0.0° |
C16 | C17 | C18 | H17 | 180.0° | 179.9° |
C16 | C17 | C18 | H18 | 179.2° | 179.9° |
C16 | C17 | C18 | C19 | 0.8° | 0.0° |
H16 | C16 | C17 | C18 | 179.7° | 180.0° |
H16 | C16 | C17 | H17 | 0.3° | 0.0° |
C17 | C18 | H18 | C19 | 180.0° | 179.9° |
C17 | C18 | C19 | C21 | 178.0° | 179.7° |
H17 | C17 | C18 | H18 | 0.8° | 0.0° |
H17 | C17 | C18 | C19 | 179.2° | 179.9° |
H18 | C18 | C19 | C21 | 1.9° | 0.3° |
C18 | C19 | C21 | H21 | 109.9° | 24.7° |
C18 | C19 | C21 | C22 | 130.1° | 95.3° |
C18 | C19 | C21 | H211 | 10.1° | 144.7° |
C19 | C21 | H21 | C22 | 126.0° | 120.0° |
C19 | C21 | H21 | H211 | 117.0° | 120.0° |
C19 | C21 | C22 | S | 167.1° | 180.0° |
C19 | C21 | C22 | H211 | 120.0° | 120.0° |
C19 | C21 | C22 | H22 | 72.9° | 60.0° |
C19 | C21 | C22 | H221 | 47.1° | 60.0° |
O1P | S | C22 | N5' | 120.3° | 111.6° |
O1P | S | C22 | C21 | 131.3° | 68.3° |
O1P | S | C22 | H22 | 11.3° | 171.6° |
O1P | S | N5' | C5' | 90.5° | 178.9° |
O1P | S | N5' | HN5' | 149.5° | 1.1° |
O1P | S | C22 | H221 | 108.7° | 51.6° |
C1' | C2' | H2' | O2' | 119.9° | 122.7° |
C1' | C2' | H2' | C3' | 119.5° | 114.6° |
C1' | C2' | O2' | C3' | 112.5° | 114.8° |
C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
C1' | C2' | C3' | C4' | 19.0° | 0.1° |
C1' | C2' | C3' | H3' | 104.9° | 118.6° |
C1' | C2' | C3' | O3' | 135.6° | 118.6° |
C2' | C1' | O4' | C4' | 18.5° | 40.5° |
H2' | C2' | O2' | C3' | 123.5° | 122.6° |
H2' | C2' | O2' | HO2' | 56.0° | 57.4° |
H2' | C2' | C3' | C4' | 143.0° | 118.7° |
H2' | C2' | C3' | H3' | 19.0° | 0.0° |
H2' | C2' | C3' | O3' | 100.5° | 122.8° |
O2' | C2' | C3' | C4' | 93.8° | 118.7° |
O2' | C2' | C3' | H3' | 142.2° | 122.6° |
O2' | C2' | C3' | O3' | 22.7° | 0.1° |
HO2' | O2' | C2' | C3' | 67.5° | 65.2° |
H21 | C21 | C22 | S | 72.9° | 60.0° |
H21 | C21 | C22 | H211 | 120.0° | 120.0° |
H21 | C21 | C22 | H22 | 47.1° | 60.0° |
H21 | C21 | C22 | H221 | 167.1° | NaN° |
S | C22 | C21 | H22 | 120.0° | 120.0° |
S | C22 | C21 | H221 | 120.0° | 120.0° |
S | C22 | H22 | H221 | 117.4° | 120.0° |
C22 | S | N5' | C5' | 32.9° | 65.0° |
C22 | S | N5' | HN5' | 87.1° | 115.0° |
S | C22 | C21 | H211 | 47.1° | 60.0° |
C21 | C22 | H22 | H221 | 117.4° | 120.0° |
C21 | C22 | S | N5' | 108.3° | 180.0° |
H22 | C22 | S | N5' | 131.6° | 60.0° |
H22 | C22 | C21 | H211 | 167.1° | 180.0° |
C2' | C3' | C4' | H3' | 122.3° | 118.7° |
C2' | C3' | C4' | O3' | 118.5° | 118.6° |
C2' | C3' | H3' | O3' | 122.4° | 122.7° |
C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
C2' | C3' | C4' | C5' | 148.2° | 142.9° |
C2' | C3' | C4' | O4' | 30.6° | 24.0° |
C2' | C3' | C4' | H4' | 92.2° | 95.0° |
C4' | C3' | H3' | O3' | 120.7° | 122.7° |
C4' | C3' | O3' | HO3' | 67.3° | 176.1° |
C3' | C4' | C5' | O4' | 116.5° | 115.4° |
C3' | C4' | C5' | H4' | 120.7° | 122.2° |
C3' | C4' | O4' | H4' | 120.5° | 118.9° |
C3' | C4' | C5' | N5' | 167.7° | 175.0° |
C3' | C4' | C5' | H5' | 47.7° | 55.0° |
C3' | C4' | C5' | H5'A | 72.3° | 65.0° |
H3' | C3' | O3' | HO3' | 57.1° | 61.2° |
H3' | C3' | C4' | C5' | 26.0° | 24.2° |
H3' | C3' | C4' | O4' | 91.6° | 94.7° |
H3' | C3' | C4' | H4' | 145.6° | 146.3° |
O3' | C3' | C4' | C5' | 93.3° | 98.6° |
O3' | C3' | C4' | O4' | 149.1° | 142.6° |
O3' | C3' | C4' | H4' | 26.3° | 23.6° |
C5' | C4' | O4' | H4' | 119.5° | 122.3° |
C4' | C5' | N5' | H5' | 120.0° | 120.0° |
C4' | C5' | N5' | H5'A | 120.0° | 120.0° |
C4' | C5' | H5' | H5'A | 121.2° | 120.0° |
C4' | C5' | N5' | S | 161.1° | 165.0° |
C4' | C5' | N5' | HN5' | 41.0° | 15.0° |
O4' | C4' | C5' | N5' | 75.8° | 69.6° |
O4' | C4' | C5' | H5' | 164.2° | 170.4° |
O4' | C4' | C5' | H5'A | 44.2° | 50.4° |
H4' | C4' | C5' | N5' | 47.0° | 52.8° |
H4' | C4' | C5' | H5' | 73.0° | 67.2° |
H4' | C4' | C5' | H5'A | 167.0° | 172.8° |
N5' | C5' | H5' | H5'A | 121.2° | 120.0° |
C5' | N5' | S | HN5' | 120.0° | 180.0° |
H5' | C5' | N5' | S | 78.9° | 45.0° |
H5' | C5' | N5' | HN5' | 161.0° | 134.9° |
H5'A | C5' | N5' | S | 41.1° | 75.0° |
H5'A | C5' | N5' | HN5' | 79.0° | 105.0° |
N5' | S | C22 | H221 | 11.6° | 60.0° |
H211 | C21 | C22 | H221 | 72.9° | 60.0° |