HLW
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N01 | C02 | doub | 1.30Å | 1.31Å | Aromatic |
N01 | C05 | sing | 1.34Å | 1.33Å | Aromatic |
C02 | N03 | sing | 1.36Å | 1.32Å | Aromatic |
N03 | C04 | sing | 1.37Å | 1.34Å | Aromatic |
N03 | C12 | sing | 1.39Å | 1.42Å | |
C04 | C05 | doub | 1.35Å | 1.40Å | Aromatic |
C1' | C2' | doub | 1.38Å | 1.39Å | Aromatic |
C1' | C22 | sing | 1.51Å | 1.54Å | |
C1' | C6' | sing | 1.38Å | 1.39Å | Aromatic |
N11 | C12 | doub | 1.32Å | 1.33Å | Aromatic |
N11 | C16 | sing | 1.32Å | 1.34Å | Aromatic |
C12 | N13 | sing | 1.32Å | 1.32Å | Aromatic |
N13 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
C14 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
C14 | C17 | sing | 1.51Å | 1.52Å | |
C15 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
C17 | C18 | sing | 1.53Å | 1.52Å | |
C18 | N19 | sing | 1.47Å | 1.45Å | |
N19 | C20 | sing | 1.47Å | 1.45Å | |
C2' | C3' | sing | 1.38Å | 1.40Å | Aromatic |
C20 | C21 | sing | 1.53Å | 1.55Å | |
C21 | C22 | sing | 1.53Å | 1.53Å | |
C3' | C4' | doub | 1.38Å | 1.39Å | Aromatic |
C3' | CL7' | sing | 1.74Å | 1.75Å | |
C4' | C5' | sing | 1.38Å | 1.39Å | Aromatic |
C5' | C6' | doub | 1.38Å | 1.40Å | 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 | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H18A | sing | 1.09Å | 1.10Å | |
N19 | HN19 | sing | 1.01Å | 1.00Å | |
C2' | H2' | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.09Å | 1.10Å | |
C20 | H20A | sing | 1.09Å | 1.10Å | |
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 | 112.7° | 109.4° |
N01 | C02 | N03 | 106.2° | 108.6° |
N01 | C02 | H02 | 126.9° | 125.7° |
N01 | C05 | C04 | 104.1° | 108.2° |
N01 | C05 | H05 | 128.0° | 125.9° |
C02 | N03 | C04 | 110.2° | 107.0° |
C02 | N03 | C12 | 127.2° | 126.5° |
N03 | C02 | H02 | 126.9° | 125.7° |
C04 | N03 | C12 | 122.6° | 126.5° |
N03 | C04 | C05 | 106.8° | 106.8° |
N03 | C04 | H04 | 126.6° | 126.6° |
N03 | C12 | N11 | 117.6° | 119.2° |
N03 | C12 | N13 | 118.8° | 119.2° |
C05 | C04 | H04 | 126.6° | 126.6° |
C04 | C05 | H05 | 127.9° | 125.9° |
C2' | C1' | C22 | 120.8° | 120.0° |
C2' | C1' | C6' | 120.6° | 120.0° |
C1' | C2' | C3' | 119.2° | 119.9° |
C1' | C2' | H2' | 120.4° | 120.1° |
C22 | C1' | C6' | 118.7° | 120.0° |
C1' | C22 | C21 | 114.6° | 109.5° |
C1' | C22 | H22 | 108.2° | 109.5° |
C1' | C22 | H22A | 108.2° | 109.4° |
C1' | C6' | C5' | 120.4° | 120.0° |
C1' | C6' | H6' | 119.8° | 120.0° |
C12 | N11 | C16 | 121.1° | 120.8° |
N11 | C12 | N13 | 123.6° | 121.6° |
N11 | C16 | C15 | 118.0° | 119.2° |
N11 | C16 | H16 | 121.0° | 120.4° |
C12 | N13 | C14 | 118.9° | 120.7° |
N13 | C14 | C15 | 120.4° | 119.2° |
N13 | C14 | C17 | 119.0° | 120.4° |
C15 | C14 | C17 | 120.7° | 120.4° |
C14 | C15 | C16 | 118.0° | 118.5° |
C14 | C15 | H15 | 121.0° | 120.7° |
C14 | C17 | C18 | 109.8° | 109.5° |
C14 | C17 | H17 | 109.4° | 109.5° |
C14 | C17 | H17A | 109.4° | 109.5° |
C16 | C15 | H15 | 121.0° | 120.8° |
C15 | C16 | H16 | 121.0° | 120.4° |
C17 | C18 | N19 | 106.9° | 109.5° |
C18 | C17 | H17 | 109.4° | 109.4° |
C18 | C17 | H17A | 109.4° | 109.5° |
C17 | C18 | H18 | 110.1° | 109.4° |
C17 | C18 | H18A | 110.1° | 109.5° |
C18 | N19 | C20 | 107.0° | 111.0° |
N19 | C18 | H18 | 110.1° | 109.5° |
N19 | C18 | H18A | 110.1° | 109.5° |
C18 | N19 | HN19 | 110.1° | 111.0° |
N19 | C20 | C21 | 111.1° | 109.5° |
C20 | N19 | HN19 | 110.1° | 111.0° |
N19 | C20 | H20 | 109.1° | 109.5° |
N19 | C20 | H20A | 109.1° | 109.4° |
C2' | C3' | C4' | 119.7° | 120.0° |
C2' | C3' | CL7' | 120.8° | 120.0° |
C3' | C2' | H2' | 120.4° | 120.0° |
C20 | C21 | C22 | 107.6° | 109.5° |
C21 | C20 | H20 | 109.1° | 109.5° |
C21 | C20 | H20A | 109.0° | 109.5° |
C20 | C21 | H21 | 109.9° | 109.5° |
C20 | C21 | H21A | 109.9° | 109.5° |
C22 | C21 | H21 | 109.9° | 109.4° |
C22 | C21 | H21A | 109.9° | 109.5° |
C21 | C22 | H22 | 108.2° | 109.5° |
C21 | C22 | H22A | 108.2° | 109.4° |
C4' | C3' | CL7' | 119.5° | 120.0° |
C3' | C4' | C5' | 121.3° | 119.9° |
C3' | C4' | H4' | 119.4° | 120.0° |
C4' | C5' | C6' | 118.8° | 120.1° |
C5' | C4' | H4' | 119.3° | 120.0° |
C4' | C5' | H5' | 120.6° | 120.0° |
C6' | C5' | H5' | 120.6° | 119.9° |
C5' | C6' | H6' | 119.8° | 120.0° |
H17 | C17 | H17A | 109.5° | 109.5° |
H18 | C18 | H18A | 109.5° | 109.4° |
H20 | C20 | H20A | 109.5° | 109.5° |
H21 | C21 | H21A | 109.5° | 109.5° |
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 | 0.1° | 0.0° |
N01 | C02 | N03 | C12 | 179.0° | 180.0° |
C02 | N01 | C05 | C04 | 0.6° | 0.0° |
C02 | N01 | C05 | H05 | 179.5° | 180.0° |
C05 | N01 | C02 | N03 | 0.3° | 0.0° |
N01 | C05 | C04 | N03 | 0.6° | 0.0° |
N01 | C05 | C04 | H05 | 180.0° | 179.9° |
C05 | N01 | C02 | H02 | 179.7° | 180.0° |
N01 | C05 | C04 | H04 | 179.4° | 180.0° |
C02 | N03 | C04 | C12 | 179.0° | 180.0° |
C02 | N03 | C04 | C05 | 0.4° | 0.0° |
C02 | N03 | C12 | N11 | 173.4° | 180.0° |
C02 | N03 | C12 | N13 | 8.4° | 0.0° |
C02 | N03 | C04 | H04 | 179.6° | 180.0° |
N03 | C04 | C05 | H04 | 180.0° | 179.9° |
C04 | N03 | C12 | N11 | 7.8° | 0.0° |
C04 | N03 | C12 | N13 | 170.5° | 180.0° |
C04 | N03 | C02 | H02 | 179.9° | 180.0° |
N03 | C04 | C05 | H05 | 179.4° | 180.0° |
C12 | N03 | C04 | C05 | 179.4° | 180.0° |
N03 | C12 | N11 | N13 | 178.2° | 180.0° |
N03 | C12 | N11 | C16 | 179.8° | 180.0° |
N03 | C12 | N13 | C14 | 179.4° | 180.0° |
C12 | N03 | C02 | H02 | 1.0° | 0.0° |
C12 | N03 | C04 | H04 | 0.6° | 0.0° |
C2' | C1' | C22 | C6' | 179.3° | 179.7° |
C1' | C2' | C3' | H2' | 180.0° | 180.0° |
C2' | C1' | C22 | C21 | 39.8° | 89.9° |
C1' | C2' | C3' | C4' | 0.5° | 0.0° |
C1' | C2' | C3' | CL7' | 179.7° | 180.0° |
C2' | C1' | C6' | C5' | 0.2° | 0.5° |
C2' | C1' | C22 | H22 | 160.6° | 150.0° |
C2' | C1' | C22 | H22A | 81.0° | 30.0° |
C2' | C1' | C6' | H6' | 179.8° | 180.0° |
C22 | C1' | C2' | C3' | 179.8° | 180.0° |
C1' | C22 | C21 | C20 | 178.4° | 180.0° |
C1' | C22 | C21 | H22 | 120.8° | 120.1° |
C1' | C22 | C21 | H22A | 120.8° | 119.9° |
C22 | C1' | C6' | C5' | 179.5° | 179.8° |
C22 | C1' | C2' | H2' | 0.2° | 0.0° |
C1' | C22 | C21 | H21 | 61.9° | 60.1° |
C1' | C22 | C21 | H21A | 58.7° | 59.9° |
C1' | C22 | H22 | H22A | 117.6° | 120.0° |
C22 | C1' | C6' | H6' | 0.5° | 0.3° |
C6' | C1' | C2' | C3' | 0.5° | 0.2° |
C6' | C1' | C22 | C21 | 140.9° | 89.8° |
C1' | C6' | C5' | C4' | 0.2° | 0.5° |
C1' | C6' | C5' | H6' | 180.0° | 179.5° |
C6' | C1' | C2' | H2' | 179.5° | 179.7° |
C6' | C1' | C22 | H22 | 20.1° | 30.3° |
C6' | C1' | C22 | H22A | 98.3° | 150.3° |
C1' | C6' | C5' | H5' | 179.8° | 179.7° |
N11 | C12 | N13 | C14 | 1.3° | 0.0° |
C12 | N11 | C16 | C15 | 1.6° | 0.1° |
C12 | N11 | C16 | H16 | 178.4° | 179.9° |
C16 | N11 | C12 | N13 | 2.0° | 0.0° |
N11 | C16 | C15 | C14 | 0.7° | 0.1° |
N11 | C16 | C15 | H16 | 180.0° | 179.9° |
N11 | C16 | C15 | H15 | 179.4° | 180.0° |
C12 | N13 | C14 | C15 | 0.3° | 0.0° |
C12 | N13 | C14 | C17 | 179.6° | 180.0° |
N13 | C14 | C15 | C17 | 179.3° | 180.0° |
N13 | C14 | C15 | C16 | 0.0° | 0.1° |
N13 | C14 | C17 | C18 | 67.2° | 55.0° |
N13 | C14 | C15 | H15 | 180.0° | 180.0° |
N13 | C14 | C17 | H17 | 172.7° | 64.9° |
N13 | C14 | C17 | H17A | 52.8° | 175.0° |
C14 | C15 | C16 | H15 | 180.0° | 179.9° |
C15 | C14 | C17 | C18 | 112.1° | 125.0° |
C14 | C15 | C16 | H16 | 179.3° | 179.9° |
C15 | C14 | C17 | H17 | 8.0° | 115.1° |
C15 | C14 | C17 | H17A | 127.9° | 5.0° |
C17 | C14 | C15 | C16 | 179.3° | 179.9° |
C14 | C17 | C18 | H17 | 120.1° | 120.0° |
C14 | C17 | C18 | H17A | 120.0° | 120.1° |
C14 | C17 | C18 | N19 | 158.5° | 180.0° |
C17 | C14 | C15 | H15 | 0.7° | 0.0° |
C14 | C17 | H17 | H17A | 119.9° | 120.1° |
C14 | C17 | C18 | H18 | 38.9° | 60.0° |
C14 | C17 | C18 | H18A | 81.9° | 59.9° |
C17 | C18 | N19 | H18 | 119.6° | 120.0° |
C17 | C18 | N19 | H18A | 119.6° | 120.0° |
C17 | C18 | N19 | C20 | 79.4° | 179.9° |
C18 | C17 | H17 | H17A | 119.9° | 120.0° |
C17 | C18 | H18 | H18A | 121.2° | 119.9° |
C17 | C18 | N19 | HN19 | 40.2° | 56.0° |
C18 | N19 | C20 | HN19 | 119.6° | 124.0° |
C18 | N19 | C20 | C21 | 160.7° | 180.0° |
N19 | C18 | C17 | H17 | 81.4° | 60.0° |
N19 | C18 | C17 | H17A | 38.5° | 60.0° |
N19 | C18 | H18 | H18A | 121.2° | 120.0° |
C18 | N19 | C20 | H20 | 40.5° | 60.0° |
C18 | N19 | C20 | H20A | 79.1° | 60.1° |
N19 | C20 | C21 | H20 | 120.2° | 120.1° |
N19 | C20 | C21 | H20A | 120.3° | 119.9° |
N19 | C20 | C21 | C22 | 157.2° | 179.9° |
C20 | N19 | C18 | H18 | 161.0° | 59.9° |
C20 | N19 | C18 | H18A | 40.2° | 60.0° |
N19 | C20 | H20 | H20A | 119.3° | 120.0° |
N19 | C20 | C21 | H21 | 83.1° | 60.0° |
N19 | C20 | C21 | H21A | 37.5° | 60.0° |
C2' | C3' | C4' | CL7' | 179.8° | 180.0° |
C2' | C3' | C4' | C5' | 0.1° | 0.1° |
C2' | C3' | C4' | H4' | 179.9° | 180.0° |
C20 | C21 | C22 | H21 | 119.7° | 120.0° |
C20 | C21 | C22 | H21A | 119.7° | 120.0° |
C21 | C20 | N19 | HN19 | 79.7° | 56.0° |
C21 | C20 | H20 | H20A | 119.2° | 120.0° |
C20 | C21 | H21 | H21A | 120.8° | 120.0° |
C20 | C21 | C22 | H22 | 60.8° | 60.0° |
C20 | C21 | C22 | H22A | 57.6° | 60.0° |
C22 | C21 | C20 | H20 | 36.9° | 60.0° |
C22 | C21 | C20 | H20A | 82.6° | 60.0° |
C22 | C21 | H21 | H21A | 120.9° | 120.1° |
C21 | C22 | H22 | H22A | 117.6° | 120.0° |
C3' | C4' | C5' | H4' | 180.0° | 179.9° |
C3' | C4' | C5' | C6' | 0.2° | 0.2° |
C4' | C3' | C2' | H2' | 179.5° | 180.0° |
C3' | C4' | C5' | H5' | 179.8° | 180.0° |
CL7' | C3' | C4' | C5' | 179.9° | 180.0° |
CL7' | C3' | C2' | H2' | 0.3° | 0.0° |
CL7' | C3' | C4' | H4' | 0.1° | 0.1° |
C4' | C5' | C6' | H5' | 180.0° | 179.8° |
C4' | C5' | C6' | H6' | 179.8° | 180.0° |
C6' | C5' | C4' | H4' | 179.8° | 179.7° |
H04 | C04 | C05 | H05 | 0.6° | 0.1° |
H15 | C15 | C16 | H16 | 0.6° | 0.2° |
H17 | C17 | C18 | H18 | 159.0° | 180.0° |
H17 | C17 | C18 | H18A | 38.2° | 60.1° |
H17A | C17 | C18 | H18 | 81.1° | 60.1° |
H17A | C17 | C18 | H18A | 158.1° | 180.0° |
H18 | C18 | N19 | HN19 | 79.4° | 176.1° |
H18A | C18 | N19 | HN19 | 159.8° | 64.0° |
HN19 | N19 | C20 | H20 | 160.1° | 176.0° |
HN19 | N19 | C20 | H20A | 40.5° | 64.0° |
H20 | C20 | C21 | H21 | 156.7° | 180.0° |
H20 | C20 | C21 | H21A | 82.8° | 60.0° |
H20A | C20 | C21 | H21 | 37.2° | 59.9° |
H20A | C20 | C21 | H21A | 157.7° | 179.9° |
H21 | C21 | C22 | H22 | 58.9° | 60.0° |
H21 | C21 | C22 | H22A | 177.4° | 180.0° |
H21A | C21 | C22 | H22 | 179.4° | 180.0° |
H21A | C21 | C22 | H22A | 62.1° | 60.0° |
H4' | C4' | C5' | H5' | 0.2° | 0.1° |
H5' | C5' | C6' | H6' | 0.2° | 0.3° |