WGA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C13 | C14 | sing | 1.54Å | 1.59Å | |
C13 | N05 | sing | 1.49Å | 1.30Å | |
C03 | C02 | sing | 1.53Å | 1.60Å | |
C14 | O15 | sing | 1.43Å | 1.30Å | |
C14 | C02 | sing | 1.54Å | 1.56Å | |
F12 | C11 | sing | 1.35Å | 1.43Å | |
C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C06 | sing | 1.39Å | 1.37Å | Aromatic |
N05 | C06 | sing | 1.39Å | 1.46Å | |
N05 | C04 | sing | 1.49Å | 1.67Å | |
C02 | C04 | sing | 1.54Å | 1.40Å | |
C02 | C01 | sing | 1.53Å | 1.51Å | |
C10 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
C06 | N07 | doub | 1.32Å | 1.32Å | Aromatic |
C09 | C08 | doub | 1.38Å | 1.35Å | Aromatic |
N07 | C08 | sing | 1.32Å | 1.36Å | Aromatic |
C10 | H1 | sing | 1.08Å | 1.08Å | |
C13 | H2 | sing | 1.09Å | 1.10Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C03 | H7 | sing | 1.09Å | 1.10Å | |
C03 | H8 | sing | 1.09Å | 1.10Å | |
C03 | H9 | sing | 1.09Å | 1.10Å | |
C04 | H10 | sing | 1.09Å | 1.10Å | |
C04 | H11 | sing | 1.09Å | 1.10Å | |
C08 | H12 | sing | 1.08Å | 1.08Å | |
C09 | H13 | sing | 1.08Å | 1.08Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
O15 | H15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C14 | C13 | N05 | 103.4° | 104.6° |
C13 | C14 | O15 | 105.8° | 110.3° |
C13 | C14 | C02 | 99.6° | 105.0° |
C14 | C13 | H2 | 111.0° | 110.4° |
C14 | C13 | H3 | 111.0° | 110.4° |
C13 | C14 | H14 | 109.4° | 110.3° |
C13 | N05 | C06 | 121.5° | 111.0° |
C13 | N05 | C04 | 102.5° | 104.2° |
N05 | C13 | H2 | 110.9° | 110.4° |
N05 | C13 | H3 | 110.9° | 110.5° |
C03 | C02 | C14 | 115.2° | 110.4° |
C03 | C02 | C04 | 110.3° | 110.3° |
C03 | C02 | C01 | 105.7° | 110.3° |
C02 | C03 | H7 | 109.5° | 109.4° |
C02 | C03 | H8 | 109.5° | 109.5° |
C02 | C03 | H9 | 109.5° | 109.5° |
O15 | C14 | C02 | 117.1° | 110.4° |
O15 | C14 | H14 | 114.0° | 110.3° |
C14 | O15 | H15 | 109.5° | 114.0° |
C14 | C02 | C04 | 101.9° | 105.1° |
C14 | C02 | C01 | 107.5° | 110.3° |
C02 | C14 | H14 | 109.7° | 110.4° |
F12 | C11 | C10 | 121.5° | 120.5° |
F12 | C11 | C06 | 119.5° | 120.4° |
C10 | C11 | C06 | 119.0° | 119.0° |
C11 | C10 | C09 | 119.0° | 118.5° |
C11 | C10 | H1 | 120.5° | 120.7° |
C11 | C06 | N05 | 117.1° | 119.7° |
C11 | C06 | N07 | 120.8° | 120.6° |
C06 | N05 | C04 | 132.5° | 111.0° |
N05 | C06 | N07 | 122.0° | 119.7° |
N05 | C04 | C02 | 107.8° | 104.6° |
N05 | C04 | H10 | 109.9° | 110.4° |
N05 | C04 | H11 | 109.9° | 110.5° |
C04 | C02 | C01 | 116.6° | 110.3° |
C02 | C04 | H10 | 109.9° | 110.4° |
C02 | C04 | H11 | 109.9° | 110.4° |
C02 | C01 | H4 | 109.5° | 109.5° |
C02 | C01 | H5 | 109.5° | 109.4° |
C02 | C01 | H6 | 109.5° | 109.5° |
C10 | C09 | C08 | 118.9° | 119.4° |
C09 | C10 | H1 | 120.5° | 120.8° |
C10 | C09 | H13 | 120.5° | 120.3° |
C06 | N07 | C08 | 121.5° | 121.6° |
C09 | C08 | N07 | 120.7° | 120.9° |
C09 | C08 | H12 | 119.7° | 119.6° |
C08 | C09 | H13 | 120.5° | 120.3° |
N07 | C08 | H12 | 119.7° | 119.5° |
H2 | C13 | H3 | 109.5° | 110.4° |
H4 | C01 | H5 | 109.4° | 109.5° |
H4 | C01 | H6 | 109.5° | 109.5° |
H5 | C01 | H6 | 109.5° | 109.5° |
H7 | C03 | H8 | 109.5° | 109.5° |
H7 | C03 | H9 | 109.4° | 109.4° |
H8 | C03 | H9 | 109.4° | 109.5° |
H10 | C04 | H11 | 109.4° | 110.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C14 | C13 | N05 | H2 | 119.0° | 118.8° |
C14 | C13 | N05 | H3 | 119.0° | 118.8° |
C13 | C14 | C02 | C03 | 80.8° | 119.0° |
C13 | C14 | O15 | C02 | 109.9° | 115.6° |
C13 | C14 | O15 | H14 | 120.2° | 122.1° |
C13 | C14 | C02 | H14 | 114.7° | 118.9° |
C14 | C13 | N05 | C06 | 159.5° | 159.1° |
C14 | C13 | N05 | C04 | 39.2° | 39.5° |
C13 | C14 | C02 | C04 | 38.6° | 0.0° |
C13 | C14 | C02 | C01 | 161.6° | 118.9° |
C14 | C13 | H2 | H3 | 122.8° | 122.4° |
C13 | C14 | O15 | H15 | 180.0° | 61.5° |
N05 | C13 | C14 | O15 | 70.5° | 95.1° |
N05 | C13 | C14 | C02 | 51.4° | 23.8° |
C13 | N05 | C06 | C11 | 56.4° | 59.9° |
C13 | N05 | C06 | C04 | 154.9° | 115.4° |
C13 | N05 | C04 | C02 | 15.1° | 39.5° |
C13 | N05 | C06 | N07 | 121.0° | 120.1° |
N05 | C13 | H2 | H3 | 122.8° | 122.4° |
C13 | N05 | C04 | H10 | 134.8° | 79.3° |
C13 | N05 | C04 | H11 | 104.7° | 158.3° |
N05 | C13 | C14 | H14 | 166.4° | 142.8° |
C03 | C02 | C14 | O15 | 165.8° | 122.2° |
C03 | C02 | C14 | C04 | 119.4° | 118.9° |
C03 | C02 | C14 | C01 | 117.5° | 122.2° |
C03 | C02 | C04 | N05 | 105.6° | 142.9° |
C03 | C02 | C04 | C01 | 120.6° | 122.1° |
C03 | C02 | C01 | H4 | 180.0° | 60.7° |
C03 | C02 | C01 | H5 | 60.0° | 59.3° |
C03 | C02 | C01 | H6 | 60.0° | 179.3° |
C02 | C03 | H7 | H8 | 120.0° | 120.0° |
C02 | C03 | H7 | H9 | 120.0° | 120.0° |
C02 | C03 | H8 | H9 | 120.0° | 120.0° |
C03 | C02 | C04 | H10 | 134.7° | 24.1° |
C03 | C02 | C04 | H11 | 14.2° | 98.3° |
C03 | C02 | C14 | H14 | 33.9° | 0.1° |
O15 | C14 | C02 | H14 | 131.9° | 122.2° |
O15 | C14 | C02 | C04 | 74.8° | 118.9° |
O15 | C14 | C02 | C01 | 48.2° | 0.0° |
O15 | C14 | C13 | H2 | 48.5° | 146.2° |
O15 | C14 | C13 | H3 | 170.5° | 23.8° |
C14 | C02 | C04 | N05 | 17.2° | 23.9° |
C14 | C02 | C04 | C01 | 116.7° | 118.9° |
C02 | C14 | C13 | H2 | 170.4° | 94.9° |
C02 | C14 | C13 | H3 | 67.6° | 142.7° |
C14 | C02 | C01 | H4 | 56.5° | 177.1° |
C14 | C02 | C01 | H5 | 176.5° | 62.9° |
C14 | C02 | C01 | H6 | 63.5° | 57.1° |
C14 | C02 | C03 | H7 | 180.0° | 57.2° |
C14 | C02 | C03 | H8 | 60.0° | 62.8° |
C14 | C02 | C03 | H9 | 60.0° | 177.1° |
C14 | C02 | C04 | H10 | 102.6° | 94.9° |
C14 | C02 | C04 | H11 | 136.9° | 142.7° |
C02 | C14 | O15 | H15 | 70.1° | 177.1° |
F12 | C11 | C10 | C06 | 179.9° | 180.0° |
F12 | C11 | C06 | N05 | 1.4° | 0.0° |
F12 | C11 | C10 | C09 | 179.3° | 179.9° |
F12 | C11 | C06 | N07 | 178.8° | 180.0° |
F12 | C11 | C10 | H1 | 0.7° | 0.2° |
C10 | C11 | C06 | N05 | 178.7° | 180.0° |
C11 | C10 | C09 | H1 | 180.0° | 179.7° |
C10 | C11 | C06 | N07 | 1.3° | 0.0° |
C11 | C10 | C09 | C08 | 0.1° | 0.3° |
C11 | C10 | C09 | H13 | 179.9° | 179.8° |
C11 | C06 | N05 | N07 | 177.4° | 180.0° |
C11 | C06 | N05 | C04 | 148.7° | 175.3° |
C06 | C11 | C10 | C09 | 0.8° | 0.0° |
C11 | C06 | N07 | C08 | 0.9° | 0.3° |
C06 | C11 | C10 | H1 | 179.2° | 179.7° |
C06 | N05 | C04 | C02 | 173.3° | 159.0° |
N05 | C06 | N07 | C08 | 178.2° | 179.7° |
C06 | N05 | C13 | H2 | 40.5° | 40.3° |
C06 | N05 | C13 | H3 | 81.5° | 82.1° |
C06 | N05 | C04 | H10 | 66.9° | 40.3° |
C06 | N05 | C04 | H11 | 53.5° | 82.2° |
N05 | C04 | C02 | H10 | 119.8° | 118.8° |
N05 | C04 | C02 | H11 | 119.8° | 118.8° |
N05 | C04 | C02 | C01 | 133.9° | 95.0° |
C04 | N05 | C06 | N07 | 33.9° | 4.7° |
C04 | N05 | C13 | H2 | 158.2° | 79.3° |
C04 | N05 | C13 | H3 | 79.8° | 158.3° |
N05 | C04 | H10 | H11 | 120.7° | 122.5° |
C04 | C02 | C01 | H4 | 57.0° | 61.5° |
C04 | C02 | C01 | H5 | 63.0° | 178.6° |
C04 | C02 | C01 | H6 | 177.0° | 58.6° |
C04 | C02 | C03 | H7 | 65.4° | 58.5° |
C04 | C02 | C03 | H8 | 54.6° | 178.5° |
C04 | C02 | C03 | H9 | 174.6° | 61.4° |
C02 | C04 | H10 | H11 | 120.8° | 122.4° |
C04 | C02 | C14 | H14 | 153.3° | 118.9° |
C02 | C01 | H4 | H5 | 120.0° | 120.0° |
C02 | C01 | H4 | H6 | 120.0° | 120.0° |
C02 | C01 | H5 | H6 | 120.0° | 120.0° |
C01 | C02 | C03 | H7 | 61.4° | 179.3° |
C01 | C02 | C03 | H8 | 178.5° | 59.3° |
C01 | C02 | C03 | H9 | 58.6° | 60.7° |
C01 | C02 | C04 | H10 | 14.1° | 146.2° |
C01 | C02 | C04 | H11 | 106.4° | 23.8° |
C01 | C02 | C14 | H14 | 83.7° | 122.2° |
C10 | C09 | C08 | H13 | 180.0° | 179.9° |
C10 | C09 | C08 | N07 | 0.5° | 0.6° |
C10 | C09 | C08 | H12 | 179.5° | 180.0° |
C06 | N07 | C08 | C09 | 0.0° | 0.6° |
C06 | N07 | C08 | H12 | 180.0° | 180.0° |
C09 | C08 | N07 | H12 | 180.0° | 179.4° |
C08 | C09 | C10 | H1 | 179.9° | 180.0° |
N07 | C08 | C09 | H13 | 179.5° | 179.5° |
H1 | C10 | C09 | H13 | 0.1° | 0.1° |
H2 | C13 | C14 | H14 | 74.6° | 24.1° |
H3 | C13 | C14 | H14 | 47.4° | 98.3° |
H4 | C01 | H5 | H6 | 120.0° | 120.0° |
H7 | C03 | H8 | H9 | 119.9° | 120.0° |
H12 | C08 | C09 | H13 | 0.5° | 0.2° |
H14 | C14 | O15 | H15 | 59.8° | 60.6° |