APE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.84Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | NHO | sing | 1.46Å | 1.47Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.44Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| NHO | C | sing | 1.35Å | 1.38Å | |
| NHO | HN | sing | 0.97Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.27Å | |
| C | OXT | sing | 1.35Å | 1.43Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 110.9° |
| N | CA | CB | 85.4° | 109.5° |
| N | CA | NHO | 102.2° | 109.5° |
| N | CA | HA | 134.0° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | NHO | 125.9° | 109.5° |
| CB | CA | HA | 113.3° | 109.4° |
| CA | CB | CG | 121.7° | 109.5° |
| CA | CB | HB2 | 105.6° | 109.5° |
| CA | CB | HB3 | 105.6° | 109.5° |
| NHO | CA | HA | 99.3° | 109.5° |
| CA | NHO | C | 116.9° | 120.0° |
| CA | NHO | HN | 121.5° | 120.0° |
| CG | CB | HB2 | 105.6° | 109.5° |
| CG | CB | HB3 | 105.6° | 109.4° |
| CB | CG | CD1 | 122.1° | 120.0° |
| CB | CG | CD2 | 117.3° | 120.0° |
| HB2 | CB | HB3 | 113.1° | 109.5° |
| CD1 | CG | CD2 | 120.6° | 120.0° |
| CG | CD1 | CE1 | 117.8° | 120.0° |
| CG | CD1 | HD1 | 121.1° | 120.0° |
| CG | CD2 | CE2 | 121.8° | 120.0° |
| CG | CD2 | HD2 | 119.1° | 120.0° |
| CE1 | CD1 | HD1 | 121.1° | 120.0° |
| CD1 | CE1 | CZ | 121.8° | 120.0° |
| CD1 | CE1 | HE1 | 119.1° | 120.0° |
| CE2 | CD2 | HD2 | 119.1° | 120.0° |
| CD2 | CE2 | CZ | 118.1° | 120.0° |
| CD2 | CE2 | HE2 | 120.9° | 120.0° |
| CZ | CE1 | HE1 | 119.1° | 120.0° |
| CE1 | CZ | CE2 | 119.9° | 120.0° |
| CE1 | CZ | HZ | 120.0° | 120.0° |
| CZ | CE2 | HE2 | 120.9° | 120.0° |
| CE2 | CZ | HZ | 120.0° | 120.0° |
| C | NHO | HN | 121.6° | 120.0° |
| NHO | C | O | 122.8° | 120.1° |
| NHO | C | OXT | 121.7° | 120.0° |
| O | C | OXT | 115.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | NHO | 101.7° | 120.0° |
| N | CA | CB | HA | 136.4° | 120.0° |
| N | CA | NHO | HA | 139.0° | 120.0° |
| N | CA | CB | CG | 136.5° | 60.0° |
| N | CA | CB | HB2 | 103.6° | 60.0° |
| N | CA | CB | HB3 | 16.5° | 180.0° |
| N | CA | NHO | C | 131.1° | 105.0° |
| N | CA | NHO | HN | 48.9° | 75.0° |
| H | N | CA | CB | 180.0° | 176.1° |
| H | N | CA | NHO | 54.2° | 63.9° |
| H | N | CA | HA | 61.7° | 56.1° |
| H2 | N | CA | CB | 60.0° | 60.0° |
| H2 | N | CA | NHO | 65.8° | 60.0° |
| H2 | N | CA | HA | 178.3° | 180.0° |
| CB | CA | NHO | HA | 127.8° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 115.0° | 120.0° |
| CA | CB | CG | CD1 | 2.4° | 90.0° |
| CA | CB | CG | CD2 | 178.0° | 90.3° |
| CB | CA | NHO | C | 135.8° | 135.0° |
| CB | CA | NHO | HN | 44.3° | 45.0° |
| NHO | CA | CB | CG | 34.7° | 180.0° |
| NHO | CA | CB | HB2 | 154.7° | 60.0° |
| NHO | CA | CB | HB3 | 85.3° | 60.0° |
| CA | NHO | C | HN | 180.0° | 180.0° |
| CA | NHO | C | O | 12.3° | 0.0° |
| CA | NHO | C | OXT | 168.6° | 180.0° |
| HA | CA | CB | CG | 87.2° | 60.0° |
| HA | CA | CB | HB2 | 32.8° | 180.0° |
| HA | CA | CB | HB3 | 152.8° | 60.0° |
| HA | CA | NHO | C | 8.0° | 15.0° |
| HA | CA | NHO | HN | 172.0° | 165.0° |
| CG | CB | HB2 | HB3 | 114.9° | 120.0° |
| CB | CG | CD1 | CD2 | 179.6° | 179.8° |
| CB | CG | CD1 | CE1 | 178.0° | 180.0° |
| CB | CG | CD1 | HD1 | 2.0° | 0.0° |
| CB | CG | CD2 | CE2 | 179.2° | 180.0° |
| CB | CG | CD2 | HD2 | 0.8° | 0.0° |
| HB2 | CB | CG | CD1 | 122.4° | 30.1° |
| HB2 | CB | CG | CD2 | 58.1° | 149.7° |
| HB3 | CB | CG | CD1 | 117.6° | 150.0° |
| HB3 | CB | CG | CD2 | 62.0° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.4° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.6° | 179.7° |
| CG | CD1 | CE1 | CZ | 2.6° | 0.0° |
| CG | CD1 | CE1 | HE1 | 177.4° | 180.0° |
| CD2 | CG | CD1 | CE1 | 1.6° | 0.2° |
| CD2 | CG | CD1 | HD1 | 178.5° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.2° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.8° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 2.4° | 0.2° |
| CD1 | CE1 | CZ | HZ | 177.6° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 177.4° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 2.6° | 0.1° |
| CD2 | CE2 | CZ | CE1 | 1.2° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | HZ | 178.8° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.8° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 178.9° | 179.8° |
| HE1 | CE1 | CZ | CE2 | 177.6° | 179.8° |
| HE1 | CE1 | CZ | HZ | 2.4° | 0.0° |
| HE2 | CE2 | CZ | HZ | 1.1° | 0.1° |
| NHO | C | O | OXT | 179.2° | 180.0° |
| NHO | C | OXT | HXT | 179.2° | 180.0° |
| HN | NHO | C | O | 167.8° | 180.0° |
| HN | NHO | C | OXT | 11.4° | 0.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
