A1H2H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| F19 | CE2 | sing | 1.35Å | 1.18Å | |
| O35 | N33 | sing | 1.22Å | 1.42Å | |
| CE2 | CD2 | doub | 1.39Å | 1.38Å | Aromatic |
| CE2 | CZ | sing | 1.38Å | 1.38Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.38Å | Aromatic |
| CA | C | sing | 1.51Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.50Å | |
| O | C | doub | 1.21Å | 1.20Å | |
| N33 | CZ | sing | 1.48Å | 1.32Å | |
| N33 | O34 | doub | 1.22Å | 1.32Å | |
| CZ | CE1 | doub | 1.38Å | 1.37Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.36Å | |
| CG | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 111.1° | 109.5° |
| N | CA | CB | 110.5° | 109.5° |
| N | CA | HA | 111.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| F19 | CE2 | CD2 | 118.7° | 120.0° |
| F19 | CE2 | CZ | 121.0° | 120.1° |
| O35 | N33 | CZ | 117.9° | 120.0° |
| O35 | N33 | O34 | 124.1° | 120.0° |
| CD2 | CE2 | CZ | 120.3° | 119.9° |
| CE2 | CD2 | CG | 118.5° | 120.0° |
| CE2 | CD2 | HD2 | 120.8° | 120.0° |
| CE2 | CZ | N33 | 118.1° | 120.0° |
| CE2 | CZ | CE1 | 121.5° | 120.0° |
| CD2 | CG | CB | 122.2° | 119.9° |
| CD2 | CG | CD1 | 120.7° | 120.0° |
| CG | CD2 | HD2 | 120.8° | 120.0° |
| C | CA | CB | 101.4° | 109.5° |
| CA | C | O | 120.5° | 120.0° |
| C | CA | HA | 111.1° | 109.5° |
| CA | C | OXT | 114.8° | 120.0° |
| CA | CB | CG | 114.1° | 109.5° |
| CA | CB | HB2 | 108.3° | 109.4° |
| CA | CB | HB3 | 108.3° | 109.6° |
| CB | CA | HA | 110.8° | 109.5° |
| O | C | OXT | 124.3° | 120.1° |
| CZ | N33 | O34 | 118.0° | 120.0° |
| N33 | CZ | CE1 | 120.3° | 120.0° |
| CZ | CE1 | CD1 | 117.8° | 120.0° |
| CZ | CE1 | HE1 | 121.1° | 120.1° |
| CB | CG | CD1 | 117.2° | 120.0° |
| CG | CB | HB2 | 108.3° | 109.4° |
| CG | CB | HB3 | 108.3° | 109.4° |
| CG | CD1 | CE1 | 121.2° | 120.1° |
| CG | CD1 | HD1 | 119.4° | 120.0° |
| CD1 | CE1 | HE1 | 121.1° | 119.9° |
| CE1 | CD1 | HD1 | 119.4° | 119.9° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 117.5° | 120.0° |
| N | CA | C | HA | 124.7° | 120.0° |
| N | CA | CB | HA | 124.1° | 120.0° |
| N | CA | C | O | 26.6° | 20.3° |
| N | CA | CB | CG | 58.7° | 65.0° |
| N | CA | CB | HB2 | 62.0° | 55.0° |
| N | CA | CB | HB3 | 179.4° | 175.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 160.8° | 160.0° |
| F19 | CE2 | CD2 | CZ | 179.9° | 179.7° |
| F19 | CE2 | CD2 | CG | 179.9° | 180.0° |
| F19 | CE2 | CZ | N33 | 0.2° | 0.3° |
| F19 | CE2 | CZ | CE1 | 180.0° | 179.8° |
| F19 | CE2 | CD2 | HD2 | 0.1° | 0.0° |
| O35 | N33 | CZ | CE2 | 7.7° | 0.0° |
| O35 | N33 | CZ | O34 | 179.5° | 180.0° |
| O35 | N33 | CZ | CE1 | 172.1° | 179.5° |
| CE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | N33 | 179.9° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.5° |
| CE2 | CD2 | CG | CB | 179.6° | 179.9° |
| CE2 | CD2 | CG | CD1 | 0.1° | 0.0° |
| CZ | CE2 | CD2 | CG | 0.0° | 0.2° |
| CE2 | CZ | N33 | CE1 | 179.8° | 179.5° |
| CE2 | CZ | N33 | O34 | 171.8° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.0° | 0.5° |
| CE2 | CZ | CE1 | HE1 | 180.0° | 179.7° |
| CZ | CE2 | CD2 | HD2 | 180.0° | 179.8° |
| CD2 | CG | CB | CA | 7.2° | 90.0° |
| CD2 | CG | CB | CD1 | 179.8° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.1° |
| CD2 | CG | CD1 | HD1 | 179.8° | 180.0° |
| CD2 | CG | CB | HB2 | 127.9° | 150.0° |
| CD2 | CG | CB | HB3 | 113.5° | 30.1° |
| C | CA | CB | HA | 118.0° | 120.0° |
| CA | C | O | OXT | 171.8° | 179.7° |
| C | CA | CB | CG | 176.6° | 175.0° |
| C | CA | CB | HB2 | 55.9° | 65.0° |
| C | CA | CB | HB3 | 62.7° | 55.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| CA | C | OXT | HXT | 172.2° | 179.8° |
| CB | CA | C | O | 90.9° | 99.8° |
| CA | CB | CG | HB2 | 120.7° | 120.0° |
| CA | CB | CG | HB3 | 120.7° | 120.1° |
| CA | CB | CG | CD1 | 172.5° | 90.0° |
| CA | CB | HB2 | HB3 | 117.9° | 120.1° |
| CB | CA | N | H | 68.3° | 60.0° |
| CB | CA | N | H2 | 171.7° | 64.0° |
| CB | CA | C | OXT | 81.7° | 80.0° |
| O | C | CA | HA | 151.3° | 140.2° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| N33 | CZ | CE1 | CD1 | 179.8° | 180.0° |
| N33 | CZ | CE1 | HE1 | 0.2° | 0.2° |
| O34 | N33 | CZ | CE1 | 8.4° | 0.5° |
| CZ | CE1 | CD1 | CG | 0.1° | 0.2° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.8° |
| CZ | CE1 | CD1 | HD1 | 179.9° | 179.8° |
| CB | CG | CD1 | CE1 | 179.6° | 179.9° |
| CB | CG | CD1 | HD1 | 0.5° | 0.1° |
| CG | CB | HB2 | HB3 | 117.9° | 119.9° |
| CG | CB | CA | HA | 65.4° | 55.0° |
| CB | CG | CD2 | HD2 | 0.4° | 0.1° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CD1 | CG | CB | HB2 | 51.9° | 30.0° |
| CD1 | CG | CB | HB3 | 66.8° | 149.9° |
| CD1 | CG | CD2 | HD2 | 179.8° | 180.0° |
| HE1 | CE1 | CD1 | HD1 | 0.1° | 0.0° |
| HB2 | CB | CA | HA | 173.9° | 175.0° |
| HB3 | CB | CA | HA | 55.3° | 65.0° |
| HA | CA | N | H | 55.5° | 180.0° |
| HA | CA | N | H2 | 64.5° | 56.0° |
| HA | CA | C | OXT | 36.1° | 40.0° |
