A1L7E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| IAP | CZ2 | sing | 2.09Å | 2.11Å | |
| CZ2 | CE2 | sing | 1.39Å | 1.36Å | Aromatic |
| CZ2 | CH2 | doub | 1.38Å | 1.38Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.34Å | Aromatic |
| NE1 | CD1 | sing | 1.37Å | 1.35Å | Aromatic |
| CE2 | CD2 | doub | 1.41Å | 1.36Å | Aromatic |
| CH2 | CZ3 | sing | 1.39Å | 1.39Å | Aromatic |
| CD1 | CG | doub | 1.34Å | 1.33Å | Aromatic |
| CD2 | CG | sing | 1.46Å | 1.34Å | Aromatic |
| CD2 | CE3 | sing | 1.40Å | 1.34Å | Aromatic |
| CZ3 | CE3 | doub | 1.37Å | 1.39Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.54Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| CB | CA | sing | 1.53Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.47Å | |
| CA | N | sing | 1.47Å | 1.42Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CE3 | H8 | sing | 1.08Å | 1.08Å | |
| CZ3 | H9 | sing | 1.08Å | 1.08Å | |
| CH2 | H10 | sing | 1.08Å | 1.08Å | |
| NE1 | H11 | sing | 0.97Å | 1.00Å | |
| CD1 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| IAP | CZ2 | CE2 | 120.2° | 120.1° |
| IAP | CZ2 | CH2 | 121.0° | 120.1° |
| CE2 | CZ2 | CH2 | 118.7° | 119.7° |
| CZ2 | CE2 | NE1 | 130.6° | 133.5° |
| CZ2 | CE2 | CD2 | 121.8° | 119.4° |
| CZ2 | CH2 | CZ3 | 119.7° | 120.7° |
| CZ2 | CH2 | H10 | 120.1° | 119.6° |
| CE2 | NE1 | CD1 | 108.2° | 109.9° |
| NE1 | CE2 | CD2 | 107.6° | 107.1° |
| CE2 | NE1 | H11 | 125.9° | 125.1° |
| NE1 | CD1 | CG | 107.6° | 109.9° |
| CD1 | NE1 | H11 | 125.9° | 125.0° |
| NE1 | CD1 | H12 | 126.2° | 125.1° |
| CE2 | CD2 | CG | 107.1° | 106.1° |
| CE2 | CD2 | CE3 | 120.5° | 119.9° |
| CH2 | CZ3 | CE3 | 119.4° | 120.5° |
| CH2 | CZ3 | H9 | 120.3° | 119.7° |
| CZ3 | CH2 | H10 | 120.2° | 119.7° |
| CD1 | CG | CD2 | 109.5° | 107.0° |
| CD1 | CG | CB | 122.8° | 126.5° |
| CG | CD1 | H12 | 126.2° | 125.1° |
| CG | CD2 | CE3 | 132.4° | 134.0° |
| CD2 | CG | CB | 127.6° | 126.5° |
| CD2 | CE3 | CZ3 | 119.8° | 119.7° |
| CD2 | CE3 | H8 | 120.1° | 120.1° |
| CZ3 | CE3 | H8 | 120.1° | 120.1° |
| CE3 | CZ3 | H9 | 120.3° | 119.7° |
| CG | CB | CA | 116.9° | 109.5° |
| CG | CB | H6 | 107.6° | 109.5° |
| CG | CB | H7 | 107.6° | 109.5° |
| O | C | CA | 120.7° | 120.0° |
| O | C | OXT | 125.4° | 120.0° |
| CB | CA | C | 118.0° | 109.5° |
| CB | CA | N | 117.0° | 109.5° |
| CB | CA | H2 | 101.4° | 109.5° |
| CA | CB | H6 | 107.6° | 109.5° |
| CA | CB | H7 | 107.6° | 109.4° |
| C | CA | N | 113.5° | 109.5° |
| CA | C | OXT | 113.8° | 120.0° |
| C | CA | H2 | 101.3° | 109.5° |
| N | CA | H2 | 101.7° | 109.5° |
| CA | N | H3 | 109.5° | 110.9° |
| CA | N | H4 | 109.4° | 111.0° |
| C | OXT | H1 | 109.5° | 117.0° |
| H3 | N | H4 | 109.5° | 111.1° |
| H6 | CB | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| IAP | CZ2 | CE2 | CH2 | 178.5° | 180.0° |
| IAP | CZ2 | CE2 | NE1 | 0.7° | 0.0° |
| IAP | CZ2 | CE2 | CD2 | 179.0° | 180.0° |
| IAP | CZ2 | CH2 | CZ3 | 179.5° | 180.0° |
| IAP | CZ2 | CH2 | H10 | 0.5° | 0.0° |
| CZ2 | CE2 | NE1 | CD2 | 178.6° | 179.9° |
| CZ2 | CE2 | NE1 | CD1 | 178.3° | 179.8° |
| CE2 | CZ2 | CH2 | CZ3 | 2.0° | 0.0° |
| CZ2 | CE2 | CD2 | CG | 177.9° | 180.0° |
| CZ2 | CE2 | CD2 | CE3 | 0.6° | 0.0° |
| CE2 | CZ2 | CH2 | H10 | 178.0° | 180.0° |
| CZ2 | CE2 | NE1 | H11 | 1.7° | 0.0° |
| CH2 | CZ2 | CE2 | NE1 | 179.2° | 180.0° |
| CH2 | CZ2 | CE2 | CD2 | 2.5° | 0.1° |
| CZ2 | CH2 | CZ3 | H10 | 180.0° | 180.0° |
| CZ2 | CH2 | CZ3 | CE3 | 0.2° | 0.0° |
| CZ2 | CH2 | CZ3 | H9 | 179.8° | 179.9° |
| CE2 | NE1 | CD1 | H11 | 180.0° | 179.8° |
| CE2 | NE1 | CD1 | CG | 0.3° | 0.4° |
| NE1 | CE2 | CD2 | CG | 0.8° | 0.0° |
| NE1 | CE2 | CD2 | CE3 | 179.3° | 180.0° |
| CE2 | NE1 | CD1 | H12 | 179.7° | 180.0° |
| CD1 | NE1 | CE2 | CD2 | 0.3° | 0.3° |
| NE1 | CD1 | CG | H12 | 180.0° | 179.6° |
| NE1 | CD1 | CG | CD2 | 0.8° | 0.4° |
| NE1 | CD1 | CG | CB | 177.2° | 179.9° |
| CE2 | CD2 | CG | CD1 | 1.0° | 0.2° |
| CE2 | CD2 | CG | CE3 | 178.3° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 1.7° | 0.0° |
| CE2 | CD2 | CG | CB | 177.2° | 179.9° |
| CE2 | CD2 | CE3 | H8 | 178.3° | 180.0° |
| CD2 | CE2 | NE1 | H11 | 179.7° | 180.0° |
| CH2 | CZ3 | CE3 | CD2 | 2.1° | 0.0° |
| CH2 | CZ3 | CE3 | H9 | 180.0° | 179.9° |
| CH2 | CZ3 | CE3 | H8 | 177.9° | 179.9° |
| CD1 | CG | CD2 | CB | 176.2° | 179.7° |
| CD1 | CG | CD2 | CE3 | 179.2° | 179.8° |
| CD1 | CG | CB | CA | 95.8° | 95.3° |
| CD1 | CG | CB | H6 | 143.2° | 144.6° |
| CD1 | CG | CB | H7 | 25.3° | 24.6° |
| CG | CD1 | NE1 | H11 | 179.7° | 179.8° |
| CG | CD2 | CE3 | CZ3 | 179.8° | 180.0° |
| CD2 | CG | CB | CA | 88.5° | 85.0° |
| CD2 | CG | CB | H6 | 32.6° | 35.0° |
| CD2 | CG | CB | H7 | 150.4° | 155.0° |
| CG | CD2 | CE3 | H8 | 0.2° | 0.0° |
| CD2 | CG | CD1 | H12 | 179.2° | 180.0° |
| CD2 | CE3 | CZ3 | H8 | 180.0° | 180.0° |
| CE3 | CD2 | CG | CB | 4.6° | 0.1° |
| CD2 | CE3 | CZ3 | H9 | 177.9° | 180.0° |
| CE3 | CZ3 | CH2 | H10 | 179.8° | 180.0° |
| CG | CB | CA | H6 | 121.1° | 120.0° |
| CG | CB | CA | H7 | 121.1° | 120.0° |
| CG | CB | CA | C | 47.6° | 175.0° |
| CG | CB | CA | N | 171.4° | 65.0° |
| CG | CB | CA | H2 | 61.9° | 55.0° |
| CG | CB | H6 | H7 | 116.6° | 120.0° |
| CB | CG | CD1 | H12 | 2.8° | 0.3° |
| O | C | CA | CB | 99.3° | 99.9° |
| O | C | CA | OXT | 178.2° | 180.0° |
| O | C | CA | N | 118.4° | 20.0° |
| O | C | OXT | H1 | 0.0° | 0.0° |
| O | C | CA | H2 | 10.3° | 140.1° |
| CB | CA | C | N | 142.2° | 120.0° |
| CB | CA | C | H2 | 109.6° | 120.0° |
| CB | CA | N | H2 | 109.4° | 120.0° |
| CB | CA | C | OXT | 82.4° | 80.0° |
| CB | CA | N | H3 | 180.0° | 60.0° |
| CB | CA | N | H4 | 60.0° | 64.0° |
| CA | CB | H6 | H7 | 116.6° | 120.0° |
| C | CA | N | H2 | 108.0° | 120.0° |
| CA | C | OXT | H1 | 178.1° | 180.0° |
| C | CA | N | H3 | 37.3° | 60.0° |
| C | CA | N | H4 | 82.7° | 176.0° |
| C | CA | CB | H6 | 73.4° | 65.0° |
| C | CA | CB | H7 | 168.7° | 55.0° |
| N | CA | C | OXT | 59.8° | 160.0° |
| CA | N | H3 | H4 | 120.0° | 123.9° |
| N | CA | CB | H6 | 67.5° | 55.0° |
| N | CA | CB | H7 | 50.4° | 175.0° |
| OXT | C | CA | H2 | 168.0° | 40.0° |
| H2 | CA | N | H3 | 70.6° | 180.0° |
| H2 | CA | N | H4 | 169.4° | 56.0° |
| H2 | CA | CB | H6 | 177.0° | 175.0° |
| H2 | CA | CB | H7 | 59.2° | 65.0° |
| H8 | CE3 | CZ3 | H9 | 2.1° | 0.0° |
| H9 | CZ3 | CH2 | H10 | 0.2° | 0.1° |
| H11 | NE1 | CD1 | H12 | 0.3° | 0.2° |
