6J0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N01 | C02 | doub | 1.31Å | 1.34Å | Aromatic |
N01 | C05 | sing | 1.34Å | 1.36Å | Aromatic |
C02 | N03 | sing | 1.36Å | 1.33Å | Aromatic |
N03 | C04 | sing | 1.37Å | 1.33Å | Aromatic |
N03 | C12 | sing | 1.40Å | 1.33Å | |
C04 | C05 | doub | 1.35Å | 1.39Å | Aromatic |
C1' | C2' | doub | 1.38Å | 1.39Å | Aromatic |
C1' | C22 | sing | 1.51Å | 1.50Å | |
C1' | C6' | sing | 1.38Å | 1.39Å | Aromatic |
N11 | C12 | doub | 1.32Å | 1.35Å | Aromatic |
N11 | C16 | sing | 1.33Å | 1.34Å | Aromatic |
C12 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
N13 | C14 | doub | 1.33Å | 1.35Å | Aromatic |
C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
C14 | N17 | sing | 1.38Å | 1.34Å | |
C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
N17 | C18 | sing | 1.46Å | 1.46Å | |
C18 | C19 | sing | 1.53Å | 1.52Å | |
C19 | N20 | sing | 1.47Å | 1.45Å | |
C2' | C3' | sing | 1.39Å | 1.39Å | Aromatic |
N20 | C21 | sing | 1.47Å | 1.44Å | |
C21 | C22 | sing | 1.53Å | 1.51Å | |
C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
C3' | F7' | sing | 1.35Å | 1.35Å | |
C4' | C5' | sing | 1.38Å | 1.39Å | Aromatic |
C5' | C6' | doub | 1.38Å | 1.39Å | Aromatic |
C02 | H02 | sing | 1.08Å | 1.08Å | |
C04 | H04 | sing | 1.08Å | 1.08Å | |
C05 | H05 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
N17 | HN17 | sing | 0.97Å | 1.00Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H19A | sing | 1.09Å | 1.10Å | |
C2' | H2' | sing | 1.08Å | 1.08Å | |
N20 | HN20 | sing | 1.01Å | 1.00Å | |
C21 | H21 | sing | 1.09Å | 1.10Å | |
C21 | H21A | sing | 1.09Å | 1.10Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C22 | H22A | sing | 1.09Å | 1.10Å | |
C4' | H4' | sing | 1.08Å | 1.08Å | |
C5' | H5' | sing | 1.08Å | 1.08Å | |
C6' | H6' | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C02 | N01 | C05 | 111.8° | 109.4° |
N01 | C02 | N03 | 102.3° | 108.5° |
N01 | C02 | H02 | 128.9° | 125.7° |
N01 | C05 | C04 | 106.6° | 108.2° |
N01 | C05 | H05 | 126.7° | 125.8° |
C02 | N03 | C04 | 116.1° | 107.0° |
C02 | N03 | C12 | 121.1° | 126.5° |
N03 | C02 | H02 | 128.9° | 125.8° |
C04 | N03 | C12 | 122.8° | 126.5° |
N03 | C04 | C05 | 103.2° | 106.9° |
N03 | C04 | H04 | 128.4° | 126.6° |
N03 | C12 | N11 | 120.4° | 119.1° |
N03 | C12 | N13 | 118.1° | 119.1° |
C05 | C04 | H04 | 128.4° | 126.5° |
C04 | C05 | H05 | 126.7° | 126.0° |
C2' | C1' | C22 | 118.9° | 120.0° |
C2' | C1' | C6' | 120.4° | 120.0° |
C1' | C2' | C3' | 119.8° | 119.9° |
C1' | C2' | H2' | 120.1° | 120.0° |
C22 | C1' | C6' | 120.6° | 120.0° |
C1' | C22 | C21 | 106.4° | 109.5° |
C1' | C22 | H22 | 110.2° | 109.5° |
C1' | C22 | H22A | 110.2° | 109.5° |
C1' | C6' | C5' | 120.1° | 120.1° |
C1' | C6' | H6' | 119.9° | 120.0° |
C12 | N11 | C16 | 120.8° | 121.0° |
N11 | C12 | N13 | 121.5° | 121.7° |
N11 | C16 | C15 | 119.5° | 119.2° |
N11 | C16 | H16 | 120.2° | 120.4° |
C12 | N13 | C14 | 119.4° | 120.6° |
N13 | C14 | C15 | 120.3° | 119.0° |
N13 | C14 | N17 | 120.9° | 120.5° |
C15 | C14 | N17 | 118.8° | 120.5° |
C14 | C15 | C16 | 118.5° | 118.5° |
C14 | C15 | H15 | 120.7° | 120.8° |
C14 | N17 | C18 | 116.4° | 120.0° |
C14 | N17 | HN17 | 107.7° | 120.0° |
C16 | C15 | H15 | 120.7° | 120.8° |
C15 | C16 | H16 | 120.2° | 120.4° |
N17 | C18 | C19 | 109.7° | 109.5° |
C18 | N17 | HN17 | 107.7° | 119.9° |
N17 | C18 | H18 | 109.4° | 109.5° |
N17 | C18 | H18A | 109.4° | 109.5° |
C18 | C19 | N20 | 112.0° | 109.5° |
C19 | C18 | H18 | 109.4° | 109.4° |
C19 | C18 | H18A | 109.4° | 109.4° |
C18 | C19 | H19 | 108.8° | 109.5° |
C18 | C19 | H19A | 108.8° | 109.4° |
C19 | N20 | C21 | 115.4° | 111.0° |
N20 | C19 | H19 | 108.8° | 109.5° |
N20 | C19 | H19A | 108.8° | 109.4° |
C19 | N20 | HN20 | 107.9° | 111.0° |
C2' | C3' | C4' | 120.0° | 120.0° |
C2' | C3' | F7' | 119.5° | 120.0° |
C3' | C2' | H2' | 120.1° | 120.0° |
N20 | C21 | C22 | 112.9° | 109.5° |
C21 | N20 | HN20 | 108.0° | 111.0° |
N20 | C21 | H21 | 108.6° | 109.5° |
N20 | C21 | H21A | 108.6° | 109.4° |
C22 | C21 | H21 | 108.6° | 109.5° |
C22 | C21 | H21A | 108.6° | 109.5° |
C21 | C22 | H22 | 110.2° | 109.5° |
C21 | C22 | H22A | 110.3° | 109.4° |
C4' | C3' | F7' | 120.6° | 120.1° |
C3' | C4' | C5' | 120.1° | 120.0° |
C3' | C4' | H4' | 119.9° | 120.0° |
C4' | C5' | C6' | 119.5° | 120.0° |
C5' | C4' | H4' | 119.9° | 120.0° |
C4' | C5' | H5' | 120.2° | 120.0° |
C6' | C5' | H5' | 120.3° | 120.0° |
C5' | C6' | H6' | 120.0° | 120.0° |
H18 | C18 | H18A | 109.5° | 109.4° |
H19 | C19 | H19A | 109.5° | 109.5° |
H21 | C21 | H21A | 109.5° | 109.4° |
H22 | C22 | H22A | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N01 | C02 | N03 | H02 | 180.0° | 180.0° |
N01 | C02 | N03 | C04 | 1.5° | 0.0° |
N01 | C02 | N03 | C12 | 179.2° | 180.0° |
C02 | N01 | C05 | C04 | 0.4° | 0.0° |
C02 | N01 | C05 | H05 | 179.6° | 180.0° |
C05 | N01 | C02 | N03 | 0.5° | 0.1° |
N01 | C05 | C04 | N03 | 1.2° | 0.0° |
N01 | C05 | C04 | H05 | 180.0° | 180.0° |
C05 | N01 | C02 | H02 | 179.4° | 180.0° |
N01 | C05 | C04 | H04 | 178.8° | 179.9° |
C02 | N03 | C04 | C12 | 177.7° | 179.9° |
C02 | N03 | C04 | C05 | 1.7° | 0.0° |
C02 | N03 | C12 | N11 | 178.7° | 179.9° |
C02 | N03 | C12 | N13 | 2.7° | 0.0° |
C02 | N03 | C04 | H04 | 178.3° | 179.9° |
N03 | C04 | C05 | H04 | 180.0° | 179.9° |
C04 | N03 | C12 | N11 | 3.6° | 0.0° |
C04 | N03 | C12 | N13 | 174.9° | 180.0° |
C04 | N03 | C02 | H02 | 178.5° | 180.0° |
N03 | C04 | C05 | H05 | 178.8° | 180.0° |
C12 | N03 | C04 | C05 | 179.5° | 180.0° |
N03 | C12 | N11 | N13 | 178.5° | 180.0° |
N03 | C12 | N11 | C16 | 179.4° | 180.0° |
N03 | C12 | N13 | C14 | 179.1° | 180.0° |
C12 | N03 | C02 | H02 | 0.7° | 0.1° |
C12 | N03 | C04 | H04 | 0.5° | 0.0° |
C2' | C1' | C22 | C6' | 178.7° | 179.7° |
C1' | C2' | C3' | H2' | 180.0° | 180.0° |
C2' | C1' | C22 | C21 | 99.4° | 90.0° |
C1' | C2' | C3' | C4' | 0.3° | 0.0° |
C1' | C2' | C3' | F7' | 179.6° | 180.0° |
C2' | C1' | C6' | C5' | 1.0° | 0.6° |
C2' | C1' | C22 | H22 | 20.1° | 150.0° |
C2' | C1' | C22 | H22A | 141.0° | 30.0° |
C2' | C1' | C6' | H6' | 179.0° | 180.0° |
C22 | C1' | C2' | C3' | 179.6° | 180.0° |
C1' | C22 | C21 | N20 | 162.6° | 179.9° |
C1' | C22 | C21 | H22 | 119.5° | 120.0° |
C1' | C22 | C21 | H22A | 119.5° | 120.0° |
C22 | C1' | C6' | C5' | 179.7° | 179.7° |
C22 | C1' | C2' | H2' | 0.4° | 0.0° |
C1' | C22 | C21 | H21 | 42.1° | 60.0° |
C1' | C22 | C21 | H21A | 76.9° | 60.0° |
C1' | C22 | H22 | H22A | 121.4° | 120.0° |
C22 | C1' | C6' | H6' | 0.4° | 0.3° |
C6' | C1' | C2' | C3' | 0.9° | 0.3° |
C6' | C1' | C22 | C21 | 79.2° | 89.7° |
C1' | C6' | C5' | C4' | 0.4° | 0.6° |
C1' | C6' | C5' | H6' | 180.0° | 179.4° |
C6' | C1' | C2' | H2' | 179.1° | 179.7° |
C6' | C1' | C22 | H22 | 161.3° | 30.3° |
C6' | C1' | C22 | H22A | 40.3° | 150.3° |
C1' | C6' | C5' | H5' | 179.6° | 179.7° |
N11 | C12 | N13 | C14 | 0.6° | 0.0° |
C12 | N11 | C16 | C15 | 0.6° | 0.0° |
C12 | N11 | C16 | H16 | 179.4° | 180.0° |
C16 | N11 | C12 | N13 | 0.9° | 0.0° |
N11 | C16 | C15 | C14 | 0.2° | 0.0° |
N11 | C16 | C15 | H16 | 180.0° | 180.0° |
N11 | C16 | C15 | H15 | 179.9° | 180.0° |
C12 | N13 | C14 | C15 | 0.2° | 0.0° |
C12 | N13 | C14 | N17 | 179.8° | 180.0° |
N13 | C14 | C15 | N17 | 179.6° | 180.0° |
N13 | C14 | C15 | C16 | 0.1° | 0.0° |
N13 | C14 | N17 | C18 | 167.8° | 180.0° |
N13 | C14 | C15 | H15 | 179.9° | 180.0° |
N13 | C14 | N17 | HN17 | 46.8° | 0.1° |
C14 | C15 | C16 | H15 | 180.0° | 180.0° |
C15 | C14 | N17 | C18 | 12.6° | 0.0° |
C14 | C15 | C16 | H16 | 179.8° | 180.0° |
C15 | C14 | N17 | HN17 | 133.6° | 180.0° |
N17 | C14 | C15 | C16 | 179.6° | 180.0° |
C14 | N17 | C18 | HN17 | 121.0° | 180.0° |
C14 | N17 | C18 | C19 | 110.9° | 180.0° |
N17 | C14 | C15 | H15 | 0.4° | 0.0° |
C14 | N17 | C18 | H18 | 9.2° | 60.0° |
C14 | N17 | C18 | H18A | 129.1° | 60.0° |
N17 | C18 | C19 | H18 | 120.0° | 120.1° |
N17 | C18 | C19 | H18A | 120.0° | 120.1° |
N17 | C18 | C19 | N20 | 64.5° | 180.0° |
N17 | C18 | H18 | H18A | 119.9° | 120.0° |
N17 | C18 | C19 | H19 | 55.9° | 60.0° |
N17 | C18 | C19 | H19A | 175.2° | 60.0° |
C18 | C19 | N20 | H19 | 120.4° | 120.0° |
C18 | C19 | N20 | H19A | 120.4° | 120.0° |
C18 | C19 | N20 | C21 | 151.3° | 180.0° |
C19 | C18 | N17 | HN17 | 128.1° | 0.0° |
C19 | C18 | H18 | H18A | 119.9° | 119.9° |
C18 | C19 | H19 | H19A | 118.9° | 120.0° |
C18 | C19 | N20 | HN20 | 30.5° | 56.0° |
C19 | N20 | C21 | HN20 | 120.8° | 124.0° |
C19 | N20 | C21 | C22 | 170.1° | 180.0° |
N20 | C19 | C18 | H18 | 175.5° | 59.9° |
N20 | C19 | C18 | H18A | 55.6° | 60.0° |
N20 | C19 | H19 | H19A | 118.8° | 120.0° |
C19 | N20 | C21 | H21 | 49.6° | 59.9° |
C19 | N20 | C21 | H21A | 69.4° | 60.0° |
C2' | C3' | C4' | F7' | 180.0° | 179.9° |
C2' | C3' | C4' | C5' | 0.2° | 0.1° |
C2' | C3' | C4' | H4' | 179.8° | 180.0° |
N20 | C21 | C22 | H21 | 120.5° | 120.0° |
N20 | C21 | C22 | H21A | 120.5° | 120.0° |
C21 | N20 | C19 | H19 | 88.3° | 60.0° |
C21 | N20 | C19 | H19A | 30.9° | 60.1° |
N20 | C21 | H21 | H21A | 118.4° | 119.9° |
N20 | C21 | C22 | H22 | 43.1° | 60.0° |
N20 | C21 | C22 | H22A | 77.9° | 60.0° |
C22 | C21 | N20 | HN20 | 69.0° | 56.0° |
C22 | C21 | H21 | H21A | 118.4° | 120.0° |
C21 | C22 | H22 | H22A | 121.5° | 120.0° |
C3' | C4' | C5' | H4' | 180.0° | 180.0° |
C3' | C4' | C5' | C6' | 0.2° | 0.3° |
C4' | C3' | C2' | H2' | 179.7° | 179.9° |
C3' | C4' | C5' | H5' | 179.8° | 180.0° |
F7' | C3' | C4' | C5' | 179.8° | 180.0° |
F7' | C3' | C2' | H2' | 0.4° | 0.0° |
F7' | C3' | C4' | H4' | 0.1° | 0.1° |
C4' | C5' | C6' | H5' | 180.0° | 179.7° |
C4' | C5' | C6' | H6' | 179.6° | 180.0° |
C6' | C5' | C4' | H4' | 179.9° | 179.7° |
H04 | C04 | C05 | H05 | 1.2° | 0.1° |
H15 | C15 | C16 | H16 | 0.2° | 0.0° |
HN17 | N17 | C18 | H18 | 111.8° | 120.0° |
HN17 | N17 | C18 | H18A | 8.1° | 120.0° |
H18 | C18 | C19 | H19 | 64.1° | 179.9° |
H18 | C18 | C19 | H19A | 55.1° | 60.0° |
H18A | C18 | C19 | H19 | 175.9° | 60.1° |
H18A | C18 | C19 | H19A | 64.8° | 179.9° |
H19 | C19 | N20 | HN20 | 150.9° | 176.1° |
H19A | C19 | N20 | HN20 | 89.9° | 63.9° |
HN20 | N20 | C21 | H21 | 170.5° | 176.1° |
HN20 | N20 | C21 | H21A | 51.4° | 64.0° |
H21 | C21 | C22 | H22 | 77.4° | 60.0° |
H21 | C21 | C22 | H22A | 161.6° | 180.0° |
H21A | C21 | C22 | H22 | 163.6° | 180.0° |
H21A | C21 | C22 | H22A | 42.6° | 60.0° |
H4' | C4' | C5' | H5' | 0.1° | 0.0° |
H5' | C5' | C6' | H6' | 0.4° | 0.3° |