4QY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | sing | 1.43Å | 1.45Å | |
OAG | PAS | doub | 1.48Å | 1.51Å | |
O3 | C3 | sing | 1.43Å | 1.43Å | |
C4 | C3 | sing | 1.53Å | 1.54Å | |
C4 | C5 | sing | 1.53Å | 1.52Å | |
OAH | PAS | sing | 1.61Å | 1.51Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
C6 | O6 | sing | 1.43Å | 1.44Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
PAS | O6 | sing | 1.61Å | 1.61Å | |
PAS | OAC | sing | 1.61Å | 1.53Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C2 | N2 | sing | 1.47Å | 1.47Å | |
C2 | C1 | sing | 1.53Å | 1.53Å | |
O5 | C1 | sing | 1.43Å | 1.45Å | |
N2 | C7 | sing | 1.35Å | 1.33Å | |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C7 | O7 | doub | 1.21Å | 1.21Å | |
C7 | C8 | sing | 1.51Å | 1.51Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C8 | H83 | sing | 1.09Å | 1.10Å | |
OAH | H9 | sing | 0.97Å | 0.95Å | |
OAC | H10 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | C3 | 109.5° | 109.5° |
O4 | C4 | C5 | 110.1° | 109.5° |
O4 | C4 | H4 | 109.9° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
OAG | PAS | OAH | 114.7° | 109.5° |
OAG | PAS | O6 | 105.5° | 109.5° |
OAG | PAS | OAC | 113.3° | 109.5° |
O3 | C3 | C4 | 108.8° | 109.6° |
O3 | C3 | C2 | 110.2° | 109.5° |
O3 | C3 | H3 | 109.0° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | C5 | 109.6° | 109.2° |
C4 | C3 | C2 | 113.4° | 109.0° |
C3 | C4 | H4 | 108.8° | 109.5° |
C4 | C3 | H3 | 107.6° | 109.5° |
C4 | C5 | C6 | 114.7° | 109.5° |
C4 | C5 | O5 | 110.7° | 109.4° |
C5 | C4 | H4 | 109.0° | 109.5° |
C4 | C5 | H5 | 107.0° | 109.5° |
OAH | PAS | O6 | 103.0° | 109.5° |
OAH | PAS | OAC | 114.8° | 109.5° |
PAS | OAH | H9 | 109.5° | 114.0° |
C5 | C6 | O6 | 107.6° | 109.5° |
C6 | C5 | O5 | 109.3° | 109.5° |
C6 | C5 | H5 | 106.9° | 109.5° |
C5 | C6 | H61 | 109.9° | 109.5° |
C5 | C6 | H62 | 109.9° | 109.5° |
C6 | O6 | PAS | 120.0° | 123.0° |
O6 | C6 | H61 | 109.9° | 109.5° |
O6 | C6 | H62 | 109.9° | 109.5° |
C3 | C2 | N2 | 104.9° | 109.5° |
C3 | C2 | C1 | 110.2° | 109.2° |
C3 | C2 | H2 | 111.1° | 109.6° |
C2 | C3 | H3 | 107.7° | 109.5° |
O6 | PAS | OAC | 103.8° | 109.5° |
PAS | OAC | H10 | 109.5° | 114.0° |
C5 | O5 | C1 | 110.5° | 114.1° |
O5 | C5 | H5 | 108.0° | 109.4° |
N2 | C2 | C1 | 107.4° | 109.5° |
C2 | N2 | C7 | 123.0° | 120.0° |
N2 | C2 | H2 | 112.0° | 109.5° |
C2 | N2 | HN2 | 118.5° | 120.0° |
C2 | C1 | O5 | 109.2° | 109.4° |
C2 | C1 | O1 | 111.5° | 109.5° |
C1 | C2 | H2 | 111.1° | 109.5° |
C2 | C1 | H1 | 108.3° | 109.5° |
O5 | C1 | O1 | 108.8° | 109.4° |
O5 | C1 | H1 | 109.4° | 109.5° |
N2 | C7 | O7 | 122.0° | 120.0° |
N2 | C7 | C8 | 117.0° | 120.0° |
C7 | N2 | HN2 | 118.5° | 120.0° |
O1 | C1 | H1 | 109.7° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
O7 | C7 | C8 | 121.0° | 120.0° |
C7 | C8 | H81 | 109.5° | 109.5° |
C7 | C8 | H82 | 109.5° | 109.4° |
C7 | C8 | H83 | 109.5° | 109.5° |
H61 | C6 | H62 | 109.5° | 109.4° |
H81 | C8 | H82 | 109.5° | 109.5° |
H81 | C8 | H83 | 109.5° | 109.5° |
H82 | C8 | H83 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | C3 | O3 | 68.9° | 63.2° |
O4 | C4 | C3 | C5 | 120.8° | 119.9° |
O4 | C4 | C3 | H4 | 120.2° | 120.2° |
O4 | C4 | C5 | H4 | 120.7° | 120.2° |
O4 | C4 | C5 | C6 | 60.1° | 62.5° |
O4 | C4 | C3 | C2 | 168.1° | 176.9° |
O4 | C4 | C5 | O5 | 175.6° | 177.5° |
O4 | C4 | C5 | H5 | 58.2° | 57.6° |
O4 | C4 | C3 | H3 | 49.1° | 57.1° |
OAG | PAS | OAH | O6 | 114.0° | 120.0° |
OAG | PAS | OAH | OAC | 133.9° | 120.0° |
OAG | PAS | O6 | C6 | 68.1° | 55.0° |
OAG | PAS | O6 | OAC | 119.4° | 120.0° |
OAG | PAS | OAH | H9 | 0.0° | 180.0° |
OAG | PAS | OAC | H10 | 0.0° | 59.9° |
O3 | C3 | C4 | C2 | 123.0° | 119.9° |
O3 | C3 | C4 | H3 | 118.0° | 120.3° |
O3 | C3 | C4 | C5 | 170.2° | 176.8° |
O3 | C3 | C2 | H3 | 118.7° | 120.3° |
O3 | C3 | C2 | N2 | 74.4° | 63.2° |
O3 | C3 | C2 | C1 | 170.4° | 176.9° |
O3 | C3 | C2 | H2 | 46.8° | 56.9° |
O3 | C3 | C4 | H4 | 51.2° | 56.9° |
C3 | C4 | C5 | H4 | 118.9° | 119.9° |
C3 | C4 | C5 | C6 | 179.4° | 177.6° |
C4 | C3 | C2 | H3 | 119.0° | 119.9° |
C3 | C4 | C5 | O5 | 55.2° | 57.6° |
C4 | C3 | C2 | N2 | 163.3° | 176.9° |
C4 | C3 | C2 | C1 | 48.1° | 57.0° |
C4 | C3 | C2 | H2 | 75.5° | 63.0° |
C3 | C4 | C5 | H5 | 62.2° | 62.3° |
C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
C4 | C3 | O3 | HO3 | 180.0° | 60.0° |
C4 | C5 | C6 | O5 | 125.0° | 119.9° |
C4 | C5 | C6 | H5 | 118.4° | 120.1° |
C4 | C5 | C6 | O6 | 178.7° | 175.0° |
C5 | C4 | C3 | C2 | 47.2° | 57.0° |
C4 | C5 | O5 | H5 | 116.8° | 119.9° |
C4 | C5 | O5 | C1 | 66.3° | 61.2° |
C4 | C5 | C6 | H61 | 61.6° | 55.0° |
C4 | C5 | C6 | H62 | 59.0° | 64.9° |
C5 | C4 | O4 | HO4 | 59.5° | 60.3° |
C5 | C4 | C3 | H3 | 71.8° | 62.9° |
OAH | PAS | O6 | C6 | 52.6° | 65.0° |
OAH | PAS | O6 | OAC | 120.0° | 120.0° |
OAH | PAS | OAC | H10 | 134.5° | 60.1° |
C5 | C6 | O6 | H61 | 119.7° | 120.0° |
C5 | C6 | O6 | H62 | 119.7° | 120.0° |
C5 | C6 | O6 | PAS | 148.3° | 180.0° |
C6 | C5 | O5 | H5 | 115.9° | 120.1° |
C6 | C5 | O5 | C1 | 166.4° | 178.8° |
C6 | C5 | C4 | H4 | 60.5° | 57.7° |
C5 | C6 | H61 | H62 | 120.8° | 120.0° |
C6 | O6 | PAS | OAC | 172.6° | 175.1° |
O6 | C6 | C5 | O5 | 53.7° | 65.1° |
O6 | C6 | C5 | H5 | 62.9° | 55.0° |
O6 | C6 | H61 | H62 | 120.9° | 120.0° |
C3 | C2 | N2 | C1 | 117.2° | 119.7° |
C3 | C2 | N2 | H2 | 120.6° | 120.2° |
C3 | C2 | C1 | H2 | 123.6° | 120.0° |
C3 | C2 | C1 | O5 | 55.8° | 57.6° |
C3 | C2 | N2 | C7 | 113.1° | 155.3° |
C3 | C2 | C1 | O1 | 176.1° | 177.6° |
C2 | C3 | C4 | H4 | 71.8° | 62.9° |
C2 | C3 | O3 | HO3 | 55.1° | 179.6° |
C3 | C2 | C1 | H1 | 63.2° | 62.4° |
C3 | C2 | N2 | HN2 | 66.9° | 24.7° |
PAS | O6 | C6 | H61 | 28.5° | 60.0° |
PAS | O6 | C6 | H62 | 92.1° | 60.0° |
O6 | PAS | OAH | H9 | 114.0° | 60.0° |
O6 | PAS | OAC | H10 | 113.9° | 179.9° |
OAC | PAS | OAH | H9 | 133.9° | 60.0° |
C5 | O5 | C1 | C2 | 66.0° | 61.2° |
C5 | O5 | C1 | O1 | 172.2° | 178.8° |
O5 | C5 | C4 | H4 | 63.7° | 62.3° |
O5 | C5 | C6 | H61 | 173.5° | 174.9° |
O5 | C5 | C6 | H62 | 66.0° | 55.0° |
C5 | O5 | C1 | H1 | 52.4° | 58.8° |
N2 | C2 | C1 | H2 | 122.8° | 120.1° |
N2 | C2 | C1 | O5 | 169.5° | 177.5° |
C2 | N2 | C7 | HN2 | 180.0° | 179.9° |
N2 | C2 | C1 | O1 | 70.3° | 62.6° |
C2 | N2 | C7 | O7 | 1.2° | 0.1° |
C2 | N2 | C7 | C8 | 179.7° | 180.0° |
N2 | C2 | C3 | H3 | 44.3° | 57.0° |
N2 | C2 | C1 | H1 | 50.4° | 57.5° |
C2 | C1 | O5 | O1 | 121.9° | 119.9° |
C2 | C1 | O5 | H1 | 118.3° | 120.0° |
C1 | C2 | N2 | C7 | 129.7° | 85.0° |
C2 | C1 | O1 | H1 | 119.9° | 120.1° |
C1 | C2 | C3 | H3 | 70.9° | 62.9° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | N2 | HN2 | 50.3° | 94.9° |
O5 | C1 | O1 | H1 | 119.6° | 120.0° |
O5 | C1 | C2 | H2 | 67.7° | 62.4° |
C1 | O5 | C5 | H5 | 50.5° | 58.8° |
O5 | C1 | O1 | HO1 | 59.5° | 60.1° |
N2 | C7 | O7 | C8 | 179.1° | 179.9° |
C7 | N2 | C2 | H2 | 7.5° | 35.1° |
N2 | C7 | C8 | H81 | 179.2° | 60.0° |
N2 | C7 | C8 | H82 | 60.8° | 179.9° |
N2 | C7 | C8 | H83 | 59.2° | 60.0° |
O1 | C1 | C2 | H2 | 52.5° | 57.6° |
O7 | C7 | C8 | H81 | 0.0° | 120.0° |
O7 | C7 | C8 | H82 | 120.0° | 0.0° |
O7 | C7 | C8 | H83 | 120.0° | 120.0° |
O7 | C7 | N2 | HN2 | 178.8° | 180.0° |
C7 | C8 | H81 | H82 | 120.0° | 120.0° |
C7 | C8 | H81 | H83 | 120.0° | 120.0° |
C7 | C8 | H82 | H83 | 120.0° | 120.0° |
C8 | C7 | N2 | HN2 | 0.3° | 0.1° |
H2 | C2 | C3 | H3 | 165.5° | 177.2° |
H2 | C2 | C1 | H1 | 173.2° | 177.6° |
H2 | C2 | N2 | HN2 | 172.5° | 144.9° |
H4 | C4 | C5 | H5 | 178.9° | 177.8° |
H4 | C4 | O4 | HO4 | 60.6° | 59.8° |
H4 | C4 | C3 | H3 | 169.2° | 177.2° |
H5 | C5 | C6 | H61 | 56.8° | 65.1° |
H5 | C5 | C6 | H62 | 177.4° | 175.0° |
H81 | C8 | H82 | H83 | 120.0° | 120.0° |
H3 | C3 | O3 | HO3 | 62.9° | 60.2° |
H1 | C1 | O1 | HO1 | 60.1° | 59.9° |