A1EQG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NE1 | CD1 | sing | 1.37Å | 1.36Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.34Å | Aromatic |
| CD1 | CG | doub | 1.34Å | 1.39Å | Aromatic |
| CE2 | CZ2 | doub | 1.39Å | 1.39Å | Aromatic |
| CE2 | CD2 | sing | 1.41Å | 1.47Å | Aromatic |
| CZ2 | CH2 | sing | 1.38Å | 1.38Å | Aromatic |
| CG | CD2 | sing | 1.46Å | 1.48Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.52Å | |
| CH2 | CZ3 | doub | 1.39Å | 1.39Å | Aromatic |
| CD2 | CE3 | doub | 1.40Å | 1.38Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CZ3 | CE3 | sing | 1.37Å | 1.41Å | Aromatic |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.46Å | 1.46Å | |
| O | C | doub | 1.21Å | 1.42Å | |
| OXT | C | sing | 1.34Å | 1.40Å | |
| N | C16 | doub | 1.28Å | 1.36Å | |
| O19 | C17 | doub | 1.21Å | 1.24Å | |
| C16 | C17 | sing | 1.48Å | 1.47Å | |
| C16 | C20 | sing | 1.51Å | 1.53Å | |
| C17 | O18 | sing | 1.35Å | 1.25Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | O23 | doub | 1.21Å | 1.25Å | |
| C22 | O24 | sing | 1.34Å | 1.26Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| O24 | H16 | sing | 0.97Å | 0.95Å | |
| O18 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | NE1 | CE2 | 110.4° | 109.9° |
| NE1 | CD1 | CG | 112.2° | 109.9° |
| NE1 | CD1 | HD1 | 123.9° | 125.0° |
| CD1 | NE1 | HE1 | 124.8° | 125.0° |
| NE1 | CE2 | CZ2 | 134.2° | 133.5° |
| NE1 | CE2 | CD2 | 107.7° | 107.2° |
| CE2 | NE1 | HE1 | 124.8° | 125.1° |
| CD1 | CG | CD2 | 104.2° | 107.0° |
| CD1 | CG | CB | 124.9° | 126.5° |
| CG | CD1 | HD1 | 123.9° | 125.1° |
| CZ2 | CE2 | CD2 | 118.1° | 119.3° |
| CE2 | CZ2 | CH2 | 121.5° | 119.8° |
| CE2 | CZ2 | HZ2 | 119.2° | 120.1° |
| CE2 | CD2 | CG | 105.5° | 106.0° |
| CE2 | CD2 | CE3 | 119.8° | 120.0° |
| CZ2 | CH2 | CZ3 | 119.8° | 120.7° |
| CZ2 | CH2 | HH2 | 120.1° | 119.6° |
| CH2 | CZ2 | HZ2 | 119.2° | 120.1° |
| CD2 | CG | CB | 130.9° | 126.5° |
| CG | CD2 | CE3 | 134.6° | 134.0° |
| CG | CB | CA | 111.7° | 109.5° |
| CG | CB | HB2 | 108.9° | 109.5° |
| CG | CB | HB3 | 108.9° | 109.5° |
| CH2 | CZ3 | CE3 | 121.2° | 120.5° |
| CZ3 | CH2 | HH2 | 120.1° | 119.7° |
| CH2 | CZ3 | HZ3 | 119.4° | 119.7° |
| CD2 | CE3 | CZ3 | 119.5° | 119.8° |
| CD2 | CE3 | HE3 | 120.2° | 120.1° |
| CB | CA | C | 112.7° | 109.5° |
| CB | CA | N | 114.3° | 109.5° |
| CB | CA | HA | 108.2° | 109.5° |
| CA | CB | HB2 | 108.9° | 109.4° |
| CA | CB | HB3 | 108.9° | 109.5° |
| CZ3 | CE3 | HE3 | 120.2° | 120.1° |
| CE3 | CZ3 | HZ3 | 119.4° | 119.7° |
| C | CA | N | 104.4° | 109.4° |
| CA | C | O | 115.0° | 120.0° |
| CA | C | OXT | 112.0° | 120.0° |
| C | CA | HA | 108.1° | 109.5° |
| CA | N | C16 | 129.8° | 120.0° |
| N | CA | HA | 109.0° | 109.5° |
| O | C | OXT | 108.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | C16 | C17 | 126.3° | 120.0° |
| N | C16 | C20 | 116.2° | 120.0° |
| O19 | C17 | C16 | 120.8° | 120.0° |
| O19 | C17 | O18 | 120.1° | 120.0° |
| C17 | C16 | C20 | 117.5° | 120.0° |
| C16 | C17 | O18 | 119.1° | 120.0° |
| C16 | C20 | C21 | 110.0° | 109.5° |
| C16 | C20 | H3 | 109.3° | 109.5° |
| C16 | C20 | H4 | 109.3° | 109.5° |
| C17 | O18 | H17 | 109.5° | 117.0° |
| C20 | C21 | C22 | 120.9° | 109.5° |
| C20 | C21 | H1 | 106.5° | 109.5° |
| C20 | C21 | H2 | 106.5° | 109.5° |
| C21 | C20 | H3 | 109.4° | 109.5° |
| C21 | C20 | H4 | 109.3° | 109.5° |
| C21 | C22 | O23 | 122.0° | 119.9° |
| C21 | C22 | O24 | 116.8° | 120.0° |
| C22 | C21 | H1 | 106.5° | 109.5° |
| C22 | C21 | H2 | 106.5° | 109.5° |
| O23 | C22 | O24 | 121.2° | 120.1° |
| C22 | O24 | H16 | 109.5° | 116.9° |
| H1 | C21 | H2 | 109.5° | 109.4° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.8° |
| NE1 | CD1 | CG | HD1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CZ2 | 179.9° | 179.9° |
| CD1 | NE1 | CE2 | CD2 | 0.6° | 0.4° |
| NE1 | CD1 | CG | CD2 | 0.5° | 0.0° |
| NE1 | CD1 | CG | CB | 179.5° | 179.8° |
| CE2 | NE1 | CD1 | CG | 0.8° | 0.2° |
| NE1 | CE2 | CZ2 | CD2 | 179.5° | 179.4° |
| NE1 | CE2 | CZ2 | CH2 | 179.6° | 179.4° |
| NE1 | CE2 | CD2 | CG | 0.3° | 0.4° |
| NE1 | CE2 | CD2 | CE3 | 179.3° | 179.6° |
| CE2 | NE1 | CD1 | HD1 | 179.2° | 179.7° |
| NE1 | CE2 | CZ2 | HZ2 | 0.4° | 0.5° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.2° |
| CD1 | CG | CD2 | CB | 179.9° | 179.8° |
| CD1 | CG | CD2 | CE3 | 179.6° | 179.8° |
| CD1 | CG | CB | CA | 121.6° | 94.7° |
| CD1 | CG | CB | HB2 | 118.1° | 145.3° |
| CD1 | CG | CB | HB3 | 1.3° | 25.3° |
| CG | CD1 | NE1 | HE1 | 179.2° | 180.0° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 179.9° |
| CZ2 | CE2 | CD2 | CG | 179.9° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.5° | 0.0° |
| CZ2 | CE2 | CD2 | CE3 | 0.3° | 0.1° |
| CE2 | CZ2 | CH2 | HH2 | 179.5° | 180.0° |
| CZ2 | CE2 | NE1 | HE1 | 0.2° | 0.3° |
| CD2 | CE2 | CZ2 | CH2 | 0.1° | 0.0° |
| CE2 | CD2 | CG | CE3 | 179.5° | 180.0° |
| CE2 | CD2 | CG | CB | 179.9° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.3° | 0.1° |
| CD2 | CE2 | CZ2 | HZ2 | 179.9° | 179.9° |
| CE2 | CD2 | CE3 | HE3 | 179.6° | 180.0° |
| CD2 | CE2 | NE1 | HE1 | 179.4° | 179.8° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 179.9° |
| CZ2 | CH2 | CZ3 | CE3 | 0.5° | 0.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.5° | 179.9° |
| CD2 | CG | CB | CA | 58.3° | 85.0° |
| CG | CD2 | CE3 | CZ3 | 179.8° | 179.9° |
| CD2 | CG | CB | HB2 | 62.0° | 34.9° |
| CD2 | CG | CB | HB3 | 178.6° | 155.0° |
| CD2 | CG | CD1 | HD1 | 179.5° | 180.0° |
| CG | CD2 | CE3 | HE3 | 0.2° | 0.0° |
| CB | CG | CD2 | CE3 | 0.4° | 0.0° |
| CG | CB | CA | HB2 | 120.3° | 120.0° |
| CG | CB | CA | HB3 | 120.3° | 120.0° |
| CG | CB | CA | C | 164.6° | 175.0° |
| CG | CB | CA | N | 76.5° | 65.0° |
| CG | CB | CA | HA | 45.2° | 55.0° |
| CG | CB | HB2 | HB3 | 119.0° | 120.0° |
| CB | CG | CD1 | HD1 | 0.5° | 0.3° |
| CH2 | CZ3 | CE3 | CD2 | 0.0° | 0.1° |
| CH2 | CZ3 | CE3 | HZ3 | 180.0° | 179.9° |
| CZ3 | CH2 | CZ2 | HZ2 | 179.5° | 180.0° |
| CH2 | CZ3 | CE3 | HE3 | 180.0° | 180.0° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | HZ3 | 179.9° | 180.0° |
| CB | CA | C | N | 124.5° | 120.0° |
| CB | CA | C | HA | 119.5° | 120.0° |
| CB | CA | N | HA | 121.2° | 120.0° |
| CB | CA | C | O | 63.9° | 120.0° |
| CB | CA | C | OXT | 60.8° | 60.0° |
| CB | CA | N | C16 | 114.6° | 126.4° |
| CA | CB | HB2 | HB3 | 119.0° | 120.0° |
| CE3 | CZ3 | CH2 | HH2 | 179.5° | 179.9° |
| C | CA | N | HA | 115.3° | 120.0° |
| CA | C | O | OXT | 126.5° | 179.9° |
| C | CA | N | C16 | 121.9° | 113.6° |
| C | CA | CB | HB2 | 44.2° | 65.0° |
| C | CA | CB | HB3 | 75.1° | 55.0° |
| CA | C | OXT | HXT | 128.1° | 180.0° |
| N | CA | C | O | 171.6° | 0.0° |
| N | CA | C | OXT | 63.7° | 179.9° |
| CA | N | C16 | C17 | 3.9° | 5.3° |
| CA | N | C16 | C20 | 176.3° | 174.7° |
| N | CA | CB | HB2 | 163.2° | 55.0° |
| N | CA | CB | HB3 | 43.8° | 175.0° |
| O | C | CA | HA | 55.6° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | HA | 179.6° | 60.0° |
| N | C16 | C17 | O19 | 2.8° | 95.1° |
| N | C16 | C17 | C20 | 179.7° | 180.0° |
| N | C16 | C17 | O18 | 176.6° | 84.8° |
| N | C16 | C20 | C21 | 58.6° | 115.0° |
| N | C16 | C20 | H3 | 61.4° | 5.0° |
| N | C16 | C20 | H4 | 178.7° | 125.0° |
| C16 | N | CA | HA | 6.6° | 6.4° |
| O19 | C17 | C16 | O18 | 179.5° | 180.0° |
| O19 | C17 | C16 | C20 | 176.9° | 84.8° |
| O19 | C17 | O18 | H17 | 0.0° | 0.0° |
| C17 | C16 | C20 | C21 | 121.6° | 65.0° |
| C17 | C16 | C20 | H3 | 118.3° | 175.0° |
| C17 | C16 | C20 | H4 | 1.5° | 55.0° |
| C16 | C17 | O18 | H17 | 179.4° | 179.9° |
| C20 | C16 | C17 | O18 | 3.6° | 95.2° |
| C16 | C20 | C21 | H3 | 120.1° | 120.0° |
| C16 | C20 | C21 | H4 | 120.1° | 120.0° |
| C16 | C20 | C21 | C22 | 128.0° | 180.0° |
| C16 | C20 | C21 | H1 | 6.4° | 60.0° |
| C16 | C20 | C21 | H2 | 110.4° | 60.0° |
| C16 | C20 | H3 | H4 | 119.7° | 120.0° |
| C20 | C21 | C22 | H1 | 121.6° | 120.0° |
| C20 | C21 | C22 | H2 | 121.6° | 120.0° |
| C20 | C21 | C22 | O23 | 16.7° | 0.0° |
| C20 | C21 | C22 | O24 | 165.4° | 179.8° |
| C20 | C21 | H1 | H2 | 114.8° | 120.0° |
| C21 | C20 | H3 | H4 | 119.8° | 120.0° |
| C21 | C22 | O23 | O24 | 177.7° | 179.8° |
| C22 | C21 | H1 | H2 | 114.8° | 120.0° |
| C22 | C21 | C20 | H3 | 111.9° | 60.0° |
| C22 | C21 | C20 | H4 | 7.9° | 60.0° |
| C21 | C22 | O24 | H16 | 177.8° | 179.7° |
| O23 | C22 | C21 | H1 | 138.3° | 120.0° |
| O23 | C22 | C21 | H2 | 104.9° | 120.0° |
| O23 | C22 | O24 | H16 | 0.0° | 0.0° |
| O24 | C22 | C21 | H1 | 43.8° | 59.7° |
| O24 | C22 | C21 | H2 | 72.9° | 60.2° |
| H1 | C21 | C20 | H3 | 126.5° | 180.0° |
| H1 | C21 | C20 | H4 | 113.7° | 60.0° |
| H2 | C21 | C20 | H3 | 9.7° | 60.0° |
| H2 | C21 | C20 | H4 | 129.5° | 180.0° |
| HA | CA | CB | HB2 | 75.2° | 175.0° |
| HA | CA | CB | HB3 | 165.5° | 65.0° |
| HD1 | CD1 | NE1 | HE1 | 0.8° | 0.1° |
| HH2 | CH2 | CZ2 | HZ2 | 0.5° | 0.1° |
| HH2 | CH2 | CZ3 | HZ3 | 0.5° | 0.1° |
| HE3 | CE3 | CZ3 | HZ3 | 0.1° | 0.1° |
