A1A2Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.19Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CG | CD1 | doub | 1.34Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.47Å | 1.42Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.33Å | Aromatic |
| CE3 | CD2 | doub | 1.40Å | 1.42Å | Aromatic |
| CE3 | CZ3 | sing | 1.38Å | 1.40Å | Aromatic |
| CD2 | CE2 | sing | 1.41Å | 1.37Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| O23 | CZ3 | sing | 1.36Å | 1.41Å | |
| O23 | C24 | sing | 1.43Å | 1.40Å | |
| CZ3 | CH2 | doub | 1.39Å | 1.40Å | Aromatic |
| CE2 | CZ2 | doub | 1.39Å | 1.42Å | Aromatic |
| CH2 | CZ2 | sing | 1.38Å | 1.39Å | Aromatic |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 43.60Å | |
| OXT | HXT | sing | 0.97Å | 42.93Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 119.6° | 120.0° |
| O | C | OXT | 120.2° | 120.0° |
| C | CA | N | 107.2° | 109.5° |
| C | CA | CB | 109.2° | 109.5° |
| C | CA | HA | 109.6° | 109.5° |
| CA | C | OXT | 99.3° | 120.0° |
| N | CA | CB | 110.7° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 110.7° | 109.5° |
| CA | CB | CG | 112.1° | 109.5° |
| CB | CA | HA | 109.5° | 109.4° |
| CA | CB | HB2 | 108.8° | 109.4° |
| CA | CB | HB3 | 108.8° | 109.5° |
| CB | CG | CD1 | 125.5° | 126.5° |
| CB | CG | CD2 | 126.7° | 126.5° |
| CG | CB | HB2 | 108.8° | 109.5° |
| CG | CB | HB3 | 108.8° | 109.5° |
| CD1 | CG | CD2 | 107.8° | 107.0° |
| CG | CD1 | NE1 | 107.6° | 109.9° |
| CG | CD1 | HD1 | 126.2° | 125.0° |
| CG | CD2 | CE3 | 134.7° | 133.9° |
| CG | CD2 | CE2 | 105.7° | 106.0° |
| CD1 | NE1 | CE2 | 110.0° | 109.9° |
| NE1 | CD1 | HD1 | 126.2° | 125.1° |
| CD1 | NE1 | HE1 | 125.0° | 125.0° |
| CD2 | CE3 | CZ3 | 120.3° | 119.6° |
| CE3 | CD2 | CE2 | 119.6° | 120.0° |
| CD2 | CE3 | HE3 | 119.9° | 120.2° |
| CE3 | CZ3 | O23 | 119.4° | 119.9° |
| CE3 | CZ3 | CH2 | 119.9° | 120.2° |
| CZ3 | CE3 | HE3 | 119.9° | 120.2° |
| CD2 | CE2 | NE1 | 108.9° | 107.2° |
| CD2 | CE2 | CZ2 | 120.1° | 119.5° |
| NE1 | CE2 | CZ2 | 131.0° | 133.4° |
| CE2 | NE1 | HE1 | 125.0° | 125.1° |
| CZ3 | O23 | C24 | 115.5° | 117.0° |
| O23 | CZ3 | CH2 | 120.7° | 119.9° |
| O23 | C24 | H10 | 109.5° | 109.5° |
| O23 | C24 | H11 | 109.5° | 109.5° |
| O23 | C24 | H12 | 109.5° | 109.5° |
| CZ3 | CH2 | CZ2 | 119.9° | 120.7° |
| CZ3 | CH2 | HH2 | 120.0° | 119.7° |
| CE2 | CZ2 | CH2 | 120.2° | 120.0° |
| CE2 | CZ2 | HZ2 | 119.9° | 120.0° |
| CH2 | CZ2 | HZ2 | 119.9° | 120.0° |
| CZ2 | CH2 | HH2 | 120.1° | 119.7° |
| H | N | H2 | 109.5° | 110.9° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.5° | 109.4° |
| H10 | C24 | H12 | 109.4° | 109.4° |
| H11 | C24 | H12 | 109.5° | 109.5° |
| C | OXT | HXT | 1.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 132.8° | 180.0° |
| O | C | CA | N | 30.6° | 20.0° |
| O | C | CA | CB | 89.4° | 100.0° |
| O | C | CA | HA | 150.7° | 140.0° |
| O | C | OXT | HXT | 105.3° | 0.1° |
| C | CA | N | CB | 119.0° | 120.0° |
| C | CA | N | HA | 119.4° | 120.0° |
| C | CA | CB | HA | 120.0° | 120.0° |
| C | CA | CB | CG | 174.7° | 175.0° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 59.9° |
| C | CA | CB | HB2 | 54.3° | 65.0° |
| C | CA | CB | HB3 | 64.9° | 55.0° |
| CA | C | OXT | HXT | 122.3° | 180.0° |
| N | CA | CB | HA | 122.3° | 120.0° |
| N | CA | CB | CG | 57.0° | 65.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB2 | 63.4° | 55.0° |
| N | CA | CB | HB3 | 177.4° | 175.0° |
| N | CA | C | OXT | 102.2° | 160.0° |
| CA | CB | CG | HB2 | 120.4° | 119.9° |
| CA | CB | CG | HB3 | 120.4° | 120.0° |
| CA | CB | CG | CD1 | 105.7° | 95.0° |
| CA | CB | CG | CD2 | 73.5° | 84.7° |
| CB | CA | N | H | 61.0° | 176.1° |
| CB | CA | N | H2 | 178.9° | 60.1° |
| CA | CB | HB2 | HB3 | 118.8° | 120.0° |
| CB | CA | C | OXT | 137.8° | 80.0° |
| CB | CG | CD1 | CD2 | 179.4° | 179.7° |
| CB | CG | CD1 | NE1 | 179.9° | 180.0° |
| CB | CG | CD2 | CE3 | 0.4° | 0.0° |
| CB | CG | CD2 | CE2 | 179.6° | 180.0° |
| CG | CB | CA | HA | 65.3° | 55.0° |
| CG | CB | HB2 | HB3 | 118.8° | 120.0° |
| CB | CG | CD1 | HD1 | 0.1° | 0.0° |
| CG | CD1 | NE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE3 | 179.8° | 179.7° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.3° |
| CG | CD1 | NE1 | CE2 | 0.7° | 0.1° |
| CD1 | CG | CB | HB2 | 14.7° | 145.1° |
| CD1 | CG | CB | HB3 | 133.9° | 25.0° |
| CG | CD1 | NE1 | HE1 | 179.3° | 180.0° |
| CD2 | CG | CD1 | NE1 | 0.6° | 0.2° |
| CG | CD2 | CE3 | CE2 | 180.0° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 179.8° | 180.0° |
| CG | CD2 | CE2 | NE1 | 0.1° | 0.2° |
| CG | CD2 | CE2 | CZ2 | 179.8° | 180.0° |
| CD2 | CG | CB | HB2 | 166.1° | 35.2° |
| CD2 | CG | CB | HB3 | 46.9° | 155.3° |
| CD2 | CG | CD1 | HD1 | 179.4° | 179.8° |
| CG | CD2 | CE3 | HE3 | 0.2° | 0.0° |
| CD1 | NE1 | CE2 | CD2 | 0.5° | 0.0° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.8° |
| CD1 | NE1 | CE2 | CZ2 | 179.9° | 179.8° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.9° |
| CE3 | CD2 | CE2 | NE1 | 179.8° | 179.8° |
| CD2 | CE3 | CZ3 | O23 | 179.8° | 180.0° |
| CD2 | CE3 | CZ3 | CH2 | 0.2° | 0.0° |
| CE3 | CD2 | CE2 | CZ2 | 0.2° | 0.0° |
| CZ3 | CE3 | CD2 | CE2 | 0.2° | 0.0° |
| CE3 | CZ3 | O23 | CH2 | 180.0° | 180.0° |
| CE3 | CZ3 | O23 | C24 | 178.0° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.3° | 0.0° |
| CE3 | CZ3 | CH2 | HH2 | 179.7° | 179.9° |
| CD2 | CE2 | NE1 | CZ2 | 179.6° | 179.8° |
| CD2 | CE2 | CZ2 | CH2 | 0.3° | 0.0° |
| CE2 | CD2 | CE3 | HE3 | 179.8° | 180.0° |
| CD2 | CE2 | CZ2 | HZ2 | 179.7° | 180.0° |
| CD2 | CE2 | NE1 | HE1 | 179.5° | 179.8° |
| NE1 | CE2 | CZ2 | CH2 | 179.8° | 179.8° |
| CE2 | NE1 | CD1 | HD1 | 179.3° | 179.9° |
| NE1 | CE2 | CZ2 | HZ2 | 0.2° | 0.2° |
| O23 | CZ3 | CH2 | CZ2 | 179.7° | 180.0° |
| O23 | CZ3 | CE3 | HE3 | 0.3° | 0.1° |
| CZ3 | O23 | C24 | H10 | 180.0° | 180.0° |
| CZ3 | O23 | C24 | H11 | 60.0° | 60.0° |
| CZ3 | O23 | C24 | H12 | 60.0° | 60.0° |
| O23 | CZ3 | CH2 | HH2 | 0.3° | 0.0° |
| C24 | O23 | CZ3 | CH2 | 2.0° | 0.0° |
| O23 | C24 | H10 | H11 | 120.0° | 120.1° |
| O23 | C24 | H10 | H12 | 120.0° | 120.0° |
| O23 | C24 | H11 | H12 | 120.0° | 120.1° |
| CZ3 | CH2 | CZ2 | CE2 | 0.3° | 0.0° |
| CZ3 | CH2 | CZ2 | HH2 | 180.0° | 179.9° |
| CH2 | CZ3 | CE3 | HE3 | 179.8° | 180.0° |
| CZ3 | CH2 | CZ2 | HZ2 | 179.7° | 180.0° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 179.9° |
| CZ2 | CE2 | NE1 | HE1 | 0.1° | 0.0° |
| CE2 | CZ2 | CH2 | HH2 | 179.7° | 180.0° |
| H | N | CA | HA | 60.6° | 56.1° |
| H2 | N | CA | HA | 59.4° | 180.0° |
| HA | CA | CB | HB2 | 174.3° | 175.0° |
| HA | CA | CB | HB3 | 55.1° | 65.0° |
| HA | CA | C | OXT | 17.9° | 40.0° |
| HD1 | CD1 | NE1 | HE1 | 0.7° | 0.0° |
| H10 | C24 | H11 | H12 | 119.9° | 119.9° |
| HZ2 | CZ2 | CH2 | HH2 | 0.3° | 0.1° |
