GPI
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | N6 | sing | 1.47Å | 1.53Å | |
C2 | C3 | sing | 1.54Å | 1.52Å | |
C2 | C1 | sing | 1.51Å | 1.54Å | |
C2 | H2 | sing | 1.09Å | 1.09Å | |
N6 | C5 | sing | 1.47Å | 1.54Å | |
N6 | C7 | sing | 1.35Å | 1.31Å | |
C5 | C4 | sing | 1.55Å | 1.53Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.55Å | 1.52Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
C4 | H41 | sing | 1.09Å | 1.11Å | |
C4 | H42 | sing | 1.09Å | 1.11Å | |
C1 | O1 | doub | 1.21Å | 1.23Å | |
C1 | O2 | sing | 1.34Å | 1.37Å | |
O2 | C14 | sing | 1.45Å | 1.43Å | |
C14 | C15 | sing | 1.53Å | 1.54Å | |
C14 | H141 | sing | 1.09Å | 1.09Å | |
C14 | H142 | sing | 1.09Å | 1.09Å | |
C15 | C16 | sing | 1.53Å | 1.54Å | |
C15 | H151 | sing | 1.09Å | 1.09Å | |
C15 | H152 | sing | 1.09Å | 1.09Å | |
C16 | C17 | sing | 1.51Å | 1.54Å | |
C16 | H161 | sing | 1.09Å | 1.09Å | |
C16 | H162 | sing | 1.09Å | 1.09Å | |
N19 | C20 | doub | 1.32Å | 1.41Å | Aromatic |
N19 | C18 | sing | 1.32Å | 1.41Å | Aromatic |
C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C22 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
C22 | H22 | sing | 1.08Å | 1.08Å | |
C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
C18 | H18 | sing | 1.08Å | 1.08Å | |
C7 | O7 | doub | 1.21Å | 1.23Å | |
C7 | C8 | sing | 1.49Å | 1.54Å | |
C8 | O8 | doub | 1.21Å | 1.23Å | |
C8 | C9 | sing | 1.51Å | 1.54Å | |
C9 | C12 | sing | 1.53Å | 1.54Å | |
C9 | C13 | sing | 1.53Å | 1.54Å | |
C9 | C10 | sing | 1.53Å | 1.54Å | |
C12 | H121 | sing | 1.09Å | 1.07Å | |
C12 | H122 | sing | 1.09Å | 1.07Å | |
C12 | H123 | sing | 1.09Å | 1.07Å | |
C13 | H131 | sing | 1.09Å | 1.09Å | |
C13 | H132 | sing | 1.09Å | 1.09Å | |
C13 | H133 | sing | 1.09Å | 1.09Å | |
C10 | C11 | sing | 1.53Å | 1.54Å | |
C10 | H101 | sing | 1.09Å | 1.09Å | |
C10 | H102 | sing | 1.09Å | 1.09Å | |
C11 | H111 | sing | 1.09Å | 1.07Å | |
C11 | H112 | sing | 1.09Å | 1.07Å | |
C11 | H113 | sing | 1.09Å | 1.07Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N6 | C2 | C3 | 105.7° | 107.3° |
N6 | C2 | C1 | 109.7° | 110.3° |
N6 | C2 | H2 | 104.7° | 109.6° |
C2 | N6 | C5 | 104.9° | 108.7° |
C2 | N6 | C7 | 127.7° | 125.7° |
C3 | C2 | C1 | 109.0° | 109.9° |
C3 | C2 | H2 | 115.1° | 109.9° |
C2 | C3 | C4 | 105.6° | 103.0° |
C2 | C3 | H31 | 110.7° | 110.9° |
C2 | C3 | H32 | 111.1° | 110.6° |
C1 | C2 | H2 | 112.2° | 109.8° |
C2 | C1 | O1 | 119.7° | 120.0° |
C2 | C1 | O2 | 120.0° | 120.0° |
C5 | N6 | C7 | 127.4° | 125.6° |
N6 | C5 | C4 | 106.9° | 104.9° |
N6 | C5 | H51 | 112.1° | 110.3° |
N6 | C5 | H52 | 109.6° | 110.4° |
N6 | C7 | O7 | 120.2° | 119.9° |
N6 | C7 | C8 | 119.8° | 120.0° |
C4 | C5 | H51 | 112.2° | 110.4° |
C4 | C5 | H52 | 109.7° | 110.3° |
C5 | C4 | C3 | 107.3° | 101.5° |
C5 | C4 | H41 | 108.8° | 110.9° |
C5 | C4 | H42 | 112.2° | 111.0° |
H51 | C5 | H52 | 106.5° | 110.5° |
C4 | C3 | H31 | 110.6° | 110.7° |
C4 | C3 | H32 | 112.4° | 110.7° |
C3 | C4 | H41 | 108.5° | 111.0° |
C3 | C4 | H42 | 112.7° | 111.1° |
H31 | C3 | H32 | 106.4° | 110.8° |
H41 | C4 | H42 | 107.4° | 110.9° |
O1 | C1 | O2 | 120.3° | 119.9° |
C1 | O2 | C14 | 110.4° | 120.1° |
O2 | C14 | C15 | 109.4° | 109.5° |
O2 | C14 | H141 | 109.6° | 109.5° |
O2 | C14 | H142 | 109.5° | 109.4° |
C15 | C14 | H141 | 109.4° | 109.5° |
C15 | C14 | H142 | 109.3° | 109.4° |
C14 | C15 | C16 | 109.5° | 109.4° |
C14 | C15 | H151 | 109.5° | 109.5° |
C14 | C15 | H152 | 109.5° | 109.5° |
H141 | C14 | H142 | 109.6° | 109.5° |
C16 | C15 | H151 | 109.5° | 109.4° |
C16 | C15 | H152 | 109.4° | 109.5° |
C15 | C16 | C17 | 109.5° | 109.4° |
C15 | C16 | H161 | 109.5° | 109.4° |
C15 | C16 | H162 | 109.5° | 109.5° |
H151 | C15 | H152 | 109.4° | 109.5° |
C17 | C16 | H161 | 109.5° | 109.4° |
C17 | C16 | H162 | 109.4° | 109.5° |
C16 | C17 | C22 | 120.2° | 120.5° |
C16 | C17 | C18 | 120.1° | 120.4° |
H161 | C16 | H162 | 109.4° | 109.5° |
C20 | N19 | C18 | 120.6° | 121.7° |
N19 | C20 | C21 | 119.7° | 120.8° |
N19 | C20 | H20 | 120.1° | 119.6° |
N19 | C18 | C17 | 119.7° | 120.8° |
N19 | C18 | H18 | 120.2° | 119.6° |
C21 | C20 | H20 | 120.2° | 119.6° |
C20 | C21 | C22 | 119.8° | 119.2° |
C20 | C21 | H21 | 120.1° | 120.4° |
C22 | C21 | H21 | 120.1° | 120.4° |
C21 | C22 | C17 | 120.5° | 118.4° |
C21 | C22 | H22 | 119.7° | 120.8° |
C17 | C22 | H22 | 119.8° | 120.8° |
C22 | C17 | C18 | 119.8° | 119.2° |
C17 | C18 | H18 | 120.2° | 119.6° |
O7 | C7 | C8 | 120.0° | 120.0° |
C7 | C8 | O8 | 119.8° | 120.0° |
C7 | C8 | C9 | 120.4° | 120.1° |
O8 | C8 | C9 | 119.8° | 119.9° |
C8 | C9 | C12 | 109.3° | 109.5° |
C8 | C9 | C13 | 110.0° | 109.4° |
C8 | C9 | C10 | 109.5° | 109.5° |
C12 | C9 | C13 | 109.3° | 109.4° |
C12 | C9 | C10 | 109.3° | 109.5° |
C9 | C12 | H121 | 109.7° | 109.4° |
C9 | C12 | H122 | 108.9° | 109.5° |
C9 | C12 | H123 | 109.9° | 109.5° |
C13 | C9 | C10 | 109.4° | 109.4° |
C9 | C13 | H131 | 109.7° | 109.5° |
C9 | C13 | H132 | 109.0° | 109.5° |
C9 | C13 | H133 | 109.9° | 109.5° |
C9 | C10 | C11 | 109.5° | 109.5° |
C9 | C10 | H101 | 109.5° | 109.5° |
C9 | C10 | H102 | 109.5° | 109.4° |
H121 | C12 | H122 | 108.8° | 109.5° |
H121 | C12 | H123 | 109.8° | 109.4° |
H122 | C12 | H123 | 109.8° | 109.5° |
H131 | C13 | H132 | 108.9° | 109.4° |
H131 | C13 | H133 | 109.6° | 109.5° |
H132 | C13 | H133 | 109.8° | 109.4° |
C11 | C10 | H101 | 109.5° | 109.5° |
C11 | C10 | H102 | 109.4° | 109.5° |
C10 | C11 | H111 | 109.7° | 109.5° |
C10 | C11 | H112 | 108.9° | 109.5° |
C10 | C11 | H113 | 109.9° | 109.5° |
H101 | C10 | H102 | 109.4° | 109.4° |
H111 | C11 | H112 | 108.7° | 109.5° |
H111 | C11 | H113 | 109.8° | 109.5° |
H112 | C11 | H113 | 109.8° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N6 | C2 | C3 | C1 | 117.9° | 119.9° |
N6 | C2 | C3 | H2 | 115.0° | 119.1° |
N6 | C2 | C1 | H2 | 115.9° | 120.9° |
C2 | N6 | C5 | C7 | 179.8° | 179.7° |
C2 | N6 | C5 | C4 | 17.4° | 24.4° |
C2 | N6 | C5 | H51 | 105.8° | 143.2° |
C2 | N6 | C5 | H52 | 136.2° | 94.5° |
N6 | C2 | C3 | C4 | 30.6° | 21.9° |
N6 | C2 | C3 | H31 | 150.3° | 140.3° |
N6 | C2 | C3 | H32 | 91.6° | 96.5° |
N6 | C2 | C1 | O1 | 99.1° | 0.4° |
N6 | C2 | C1 | O2 | 81.4° | 179.4° |
C2 | N6 | C7 | O7 | 0.2° | 0.3° |
C2 | N6 | C7 | C8 | 179.9° | 179.7° |
C3 | C2 | C1 | H2 | 128.8° | 121.0° |
C3 | C2 | N6 | C5 | 29.7° | 1.4° |
C3 | C2 | N6 | C7 | 150.6° | 178.9° |
C2 | C3 | C4 | C5 | 19.6° | 35.3° |
C2 | C3 | C4 | H31 | 119.8° | 118.5° |
C2 | C3 | C4 | H32 | 121.4° | 118.2° |
C2 | C3 | H31 | H32 | 120.9° | 123.1° |
C2 | C3 | C4 | H41 | 97.7° | 82.7° |
C2 | C3 | C4 | H42 | 143.5° | 153.4° |
C3 | C2 | C1 | O1 | 16.3° | 118.5° |
C3 | C2 | C1 | O2 | 163.2° | 61.4° |
C1 | C2 | N6 | C5 | 147.1° | 118.3° |
C1 | C2 | N6 | C7 | 33.1° | 61.5° |
C1 | C2 | C3 | C4 | 148.5° | 141.8° |
C1 | C2 | C3 | H31 | 91.8° | 99.8° |
C1 | C2 | C3 | H32 | 26.3° | 23.5° |
C2 | C1 | O1 | O2 | 179.5° | 179.8° |
C2 | C1 | O2 | C14 | 140.5° | 179.9° |
H2 | C2 | N6 | C5 | 92.3° | 120.7° |
H2 | C2 | N6 | C7 | 87.4° | 59.6° |
H2 | C2 | C3 | C4 | 84.4° | 97.2° |
H2 | C2 | C3 | H31 | 35.3° | 21.2° |
H2 | C2 | C3 | H32 | 153.4° | 144.4° |
H2 | C2 | C1 | O1 | 145.1° | 120.6° |
H2 | C2 | C1 | O2 | 34.5° | 59.6° |
N6 | C5 | C4 | H51 | 123.2° | 118.8° |
N6 | C5 | C4 | H52 | 118.7° | 118.8° |
N6 | C5 | H51 | H52 | 119.8° | 122.3° |
N6 | C5 | C4 | C3 | 1.2° | 37.0° |
N6 | C5 | C4 | H41 | 116.0° | 81.1° |
N6 | C5 | C4 | H42 | 125.4° | 155.1° |
C5 | N6 | C7 | O7 | 179.9° | 180.0° |
C5 | N6 | C7 | C8 | 0.2° | 0.0° |
C7 | N6 | C5 | C4 | 162.8° | 155.9° |
C7 | N6 | C5 | H51 | 73.9° | 37.1° |
C7 | N6 | C5 | H52 | 44.1° | 85.3° |
N6 | C7 | O7 | C8 | 179.8° | 180.0° |
N6 | C7 | C8 | O8 | 63.0° | 0.0° |
N6 | C7 | C8 | C9 | 117.0° | 180.0° |
C4 | C5 | H51 | H52 | 120.0° | 122.3° |
C5 | C4 | C3 | H41 | 117.3° | 118.0° |
C5 | C4 | C3 | H42 | 123.9° | 118.1° |
C5 | C4 | C3 | H31 | 139.4° | 153.8° |
C5 | C4 | C3 | H32 | 101.8° | 82.9° |
C5 | C4 | H41 | H42 | 121.6° | 123.9° |
H51 | C5 | C4 | C3 | 124.3° | 155.8° |
H51 | C5 | C4 | H41 | 7.2° | 37.8° |
H51 | C5 | C4 | H42 | 111.4° | 86.0° |
H52 | C5 | C4 | C3 | 117.5° | 81.8° |
H52 | C5 | C4 | H41 | 125.3° | 160.1° |
H52 | C5 | C4 | H42 | 6.7° | 36.3° |
C4 | C3 | H31 | H32 | 122.4° | 123.2° |
C3 | C4 | H41 | H42 | 122.1° | 124.0° |
H31 | C3 | C4 | H41 | 22.1° | 35.9° |
H31 | C3 | C4 | H42 | 96.7° | 88.1° |
H32 | C3 | C4 | H41 | 140.9° | 159.1° |
H32 | C3 | C4 | H42 | 22.1° | 35.2° |
O1 | C1 | O2 | C14 | 40.0° | 0.1° |
C1 | O2 | C14 | C15 | 160.6° | 180.0° |
C1 | O2 | C14 | H141 | 40.7° | 60.0° |
C1 | O2 | C14 | H142 | 79.6° | 60.0° |
O2 | C14 | C15 | H141 | 120.1° | 120.0° |
O2 | C14 | C15 | H142 | 119.9° | 119.9° |
O2 | C14 | H141 | H142 | 120.2° | 120.0° |
O2 | C14 | C15 | C16 | 123.0° | 179.9° |
O2 | C14 | C15 | H151 | 2.9° | 60.0° |
O2 | C14 | C15 | H152 | 117.0° | 60.0° |
C15 | C14 | H141 | H142 | 119.8° | 120.0° |
C14 | C15 | C16 | H151 | 120.1° | 119.9° |
C14 | C15 | C16 | H152 | 120.0° | 120.0° |
C14 | C15 | H151 | H152 | 120.0° | 120.0° |
C14 | C15 | C16 | C17 | 87.3° | 179.9° |
C14 | C15 | C16 | H161 | 32.8° | 60.0° |
C14 | C15 | C16 | H162 | 152.7° | 60.0° |
H141 | C14 | C15 | C16 | 116.8° | 60.0° |
H141 | C14 | C15 | H151 | 123.0° | 179.9° |
H141 | C14 | C15 | H152 | 3.1° | 60.0° |
H142 | C14 | C15 | C16 | 3.1° | 60.0° |
H142 | C14 | C15 | H151 | 117.0° | 59.9° |
H142 | C14 | C15 | H152 | 123.1° | 180.0° |
C16 | C15 | H151 | H152 | 119.9° | 120.0° |
C15 | C16 | C17 | H161 | 120.1° | 119.9° |
C15 | C16 | C17 | H162 | 120.0° | 120.1° |
C15 | C16 | H161 | H162 | 120.0° | 120.1° |
C15 | C16 | C17 | C22 | 117.7° | 90.0° |
C15 | C16 | C17 | C18 | 62.3° | 90.4° |
H151 | C15 | C16 | C17 | 152.6° | 60.1° |
H151 | C15 | C16 | H161 | 87.3° | 180.0° |
H151 | C15 | C16 | H162 | 32.6° | 60.0° |
H152 | C15 | C16 | C17 | 32.7° | 59.9° |
H152 | C15 | C16 | H161 | 152.7° | 60.0° |
H152 | C15 | C16 | H162 | 87.3° | 180.0° |
C17 | C16 | H161 | H162 | 119.9° | 120.0° |
C16 | C17 | C18 | N19 | 179.9° | 179.7° |
C16 | C17 | C22 | C21 | 180.0° | 180.0° |
C16 | C17 | C22 | C18 | 180.0° | 179.7° |
C16 | C17 | C22 | H22 | 0.1° | 0.0° |
C16 | C17 | C18 | H18 | 0.0° | 0.3° |
H161 | C16 | C17 | C22 | 2.4° | 29.9° |
H161 | C16 | C17 | C18 | 177.6° | 149.7° |
H162 | C16 | C17 | C22 | 122.2° | 149.9° |
H162 | C16 | C17 | C18 | 57.8° | 29.7° |
N19 | C20 | C21 | H20 | 180.0° | 180.0° |
N19 | C20 | C21 | C22 | 0.0° | 0.0° |
N19 | C20 | C21 | H21 | 180.0° | 180.0° |
C20 | N19 | C18 | C17 | 0.1° | 0.7° |
C20 | N19 | C18 | H18 | 180.0° | 180.0° |
C18 | N19 | C20 | C21 | 0.0° | 0.3° |
C18 | N19 | C20 | H20 | 180.0° | 179.7° |
N19 | C18 | C17 | C22 | 0.1° | 0.7° |
N19 | C18 | C17 | H18 | 179.9° | 179.4° |
C20 | C21 | C22 | H21 | 180.0° | 180.0° |
C20 | C21 | C22 | C17 | 0.0° | 0.0° |
C20 | C21 | C22 | H22 | 179.9° | 180.0° |
H20 | C20 | C21 | C22 | 179.9° | 180.0° |
H20 | C20 | C21 | H21 | 0.0° | 0.0° |
C21 | C22 | C17 | H22 | 179.9° | 180.0° |
C21 | C22 | C17 | C18 | 0.0° | 0.3° |
H21 | C21 | C22 | C17 | 180.0° | 180.0° |
H21 | C21 | C22 | H22 | 0.1° | 0.0° |
C22 | C17 | C18 | H18 | 180.0° | 180.0° |
H22 | C22 | C17 | C18 | 179.9° | 179.7° |
O7 | C7 | C8 | O8 | 117.1° | 180.0° |
O7 | C7 | C8 | C9 | 62.8° | 0.0° |
C7 | C8 | O8 | C9 | 180.0° | 180.0° |
C7 | C8 | C9 | C12 | 142.2° | 59.9° |
C7 | C8 | C9 | C13 | 22.3° | 60.0° |
C7 | C8 | C9 | C10 | 98.0° | 180.0° |
O8 | C8 | C9 | C12 | 37.8° | 120.0° |
O8 | C8 | C9 | C13 | 157.8° | 120.0° |
O8 | C8 | C9 | C10 | 82.0° | 0.1° |
C8 | C9 | C12 | C13 | 120.4° | 119.9° |
C8 | C9 | C12 | C10 | 119.8° | 120.1° |
C8 | C9 | C13 | C10 | 120.3° | 120.0° |
C8 | C9 | C12 | H121 | 22.2° | 60.0° |
C8 | C9 | C12 | H122 | 96.7° | 179.9° |
C8 | C9 | C12 | H123 | 143.0° | 59.9° |
C8 | C9 | C13 | H131 | 66.1° | 60.0° |
C8 | C9 | C13 | H132 | 53.0° | 60.0° |
C8 | C9 | C13 | H133 | 173.4° | 179.9° |
C8 | C9 | C10 | C11 | 58.5° | 180.0° |
C8 | C9 | C10 | H101 | 178.6° | 59.9° |
C8 | C9 | C10 | H102 | 61.5° | 60.0° |
C12 | C9 | C13 | C10 | 119.7° | 120.1° |
C9 | C12 | H121 | H122 | 119.0° | 120.0° |
C9 | C12 | H121 | H123 | 120.8° | 120.0° |
C9 | C12 | H122 | H123 | 120.4° | 120.1° |
C12 | C9 | C13 | H131 | 173.9° | 180.0° |
C12 | C9 | C13 | H132 | 67.0° | 60.0° |
C12 | C9 | C13 | H133 | 53.4° | 60.0° |
C12 | C9 | C10 | C11 | 61.2° | 59.9° |
C12 | C9 | C10 | H101 | 58.8° | 180.0° |
C12 | C9 | C10 | H102 | 178.8° | 60.0° |
C13 | C9 | C12 | H121 | 98.2° | 180.0° |
C13 | C9 | C12 | H122 | 142.9° | 60.0° |
C13 | C9 | C12 | H123 | 22.6° | 60.0° |
C9 | C13 | H131 | H132 | 119.2° | 120.0° |
C9 | C13 | H131 | H133 | 120.7° | 120.0° |
C9 | C13 | H132 | H133 | 120.4° | 120.0° |
C13 | C9 | C10 | C11 | 179.1° | 60.0° |
C13 | C9 | C10 | H101 | 60.8° | 60.0° |
C13 | C9 | C10 | H102 | 59.1° | 180.0° |
C10 | C9 | C12 | H121 | 142.1° | 60.0° |
C10 | C9 | C12 | H122 | 23.2° | 60.0° |
C10 | C9 | C12 | H123 | 97.1° | 180.0° |
C10 | C9 | C13 | H131 | 54.2° | 60.0° |
C10 | C9 | C13 | H132 | 173.3° | 180.0° |
C10 | C9 | C13 | H133 | 66.4° | 60.1° |
C9 | C10 | C11 | H101 | 120.1° | 120.1° |
C9 | C10 | C11 | H102 | 120.1° | 119.9° |
C9 | C10 | H101 | H102 | 120.0° | 119.9° |
C9 | C10 | C11 | H111 | 116.2° | 180.0° |
C9 | C10 | C11 | H112 | 124.9° | 60.0° |
C9 | C10 | C11 | H113 | 4.6° | 59.9° |
H121 | C12 | H122 | H123 | 120.2° | 119.9° |
H131 | C13 | H132 | H133 | 120.0° | 120.0° |
C11 | C10 | H101 | H102 | 119.9° | 120.0° |
C10 | C11 | H111 | H112 | 119.0° | 120.0° |
C10 | C11 | H111 | H113 | 120.8° | 120.0° |
C10 | C11 | H112 | H113 | 120.3° | 120.0° |
H101 | C10 | C11 | H111 | 123.7° | 59.9° |
H101 | C10 | C11 | H112 | 4.8° | 60.1° |
H101 | C10 | C11 | H113 | 115.4° | 180.0° |
H102 | C10 | C11 | H111 | 3.9° | 60.0° |
H102 | C10 | C11 | H112 | 115.0° | 179.9° |
H102 | C10 | C11 | H113 | 124.7° | 60.0° |
H111 | C11 | H112 | H113 | 120.1° | 120.0° |