HPE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD | sing | 1.51Å | 1.50Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CG | HG3 | sing | 1.09Å | 1.12Å | |
| CD | CE1 | doub | 1.38Å | 1.38Å | Aromatic |
| CD | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | CZ1 | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ1 | CH | doub | 1.38Å | 1.39Å | Aromatic |
| CZ1 | HZ1 | sing | 1.08Å | 1.10Å | |
| CZ2 | CH | sing | 1.38Å | 1.39Å | Aromatic |
| CZ2 | HZ2 | sing | 1.08Å | 1.10Å | |
| CH | HH | sing | 1.08Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 115.0° | 106.7° |
| CA | N | H2 | 110.2° | 106.6° |
| N | CA | C | 115.0° | 109.4° |
| N | CA | CB | 109.5° | 109.4° |
| N | CA | HA | 105.1° | 109.4° |
| H | N | H2 | 110.2° | 106.7° |
| C | CA | CB | 107.9° | 109.5° |
| C | CA | HA | 106.8° | 109.5° |
| CA | C | O | 120.8° | 120.0° |
| CA | C | OXT | 115.4° | 120.0° |
| CB | CA | HA | 112.6° | 109.6° |
| CA | CB | CG | 110.5° | 109.5° |
| CA | CB | HB2 | 111.8° | 109.5° |
| CA | CB | HB3 | 111.8° | 109.4° |
| O | C | OXT | 123.7° | 120.0° |
| C | OXT | HXT | 115.4° | 120.0° |
| CG | CB | HB2 | 111.9° | 109.5° |
| CG | CB | HB3 | 111.9° | 109.4° |
| CB | CG | CD | 114.4° | 109.4° |
| CB | CG | HG2 | 110.4° | 109.5° |
| CB | CG | HG3 | 110.4° | 109.5° |
| HB2 | CB | HB3 | 98.6° | 109.5° |
| CD | CG | HG2 | 110.5° | 109.5° |
| CD | CG | HG3 | 110.5° | 109.5° |
| CG | CD | CE1 | 123.1° | 120.0° |
| CG | CD | CE2 | 117.9° | 120.0° |
| HG2 | CG | HG3 | 99.8° | 109.5° |
| CE1 | CD | CE2 | 119.0° | 120.0° |
| CD | CE1 | CZ1 | 121.9° | 120.0° |
| CD | CE1 | HE1 | 119.0° | 120.0° |
| CD | CE2 | CZ2 | 119.1° | 120.0° |
| CD | CE2 | HE2 | 120.1° | 120.0° |
| CZ1 | CE1 | HE1 | 119.0° | 120.0° |
| CE1 | CZ1 | CH | 119.7° | 120.0° |
| CE1 | CZ1 | HZ1 | 119.7° | 120.0° |
| CZ2 | CE2 | HE2 | 120.8° | 120.0° |
| CE2 | CZ2 | CH | 122.5° | 120.0° |
| CE2 | CZ2 | HZ2 | 118.7° | 120.0° |
| CH | CZ1 | HZ1 | 120.5° | 120.0° |
| CZ1 | CH | CZ2 | 117.7° | 120.0° |
| CZ1 | CH | HH | 121.3° | 120.0° |
| CH | CZ2 | HZ2 | 118.8° | 120.0° |
| CZ2 | CH | HH | 121.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.7° |
| N | CA | C | CB | 122.6° | 120.0° |
| N | CA | C | HA | 116.1° | 119.9° |
| N | CA | CB | HA | 116.5° | 119.9° |
| N | CA | C | O | 43.5° | 30.0° |
| N | CA | C | OXT | 136.7° | 150.0° |
| N | CA | CB | CG | 62.8° | 60.1° |
| N | CA | CB | HB2 | 62.5° | 60.1° |
| N | CA | CB | HB3 | 171.9° | 179.9° |
| H | N | CA | C | 180.0° | 60.1° |
| H | N | CA | CB | 58.3° | 59.9° |
| H | N | CA | HA | 62.8° | 180.0° |
| H2 | N | CA | C | 54.7° | 173.8° |
| H2 | N | CA | CB | 67.0° | 53.8° |
| H2 | N | CA | HA | 171.8° | 66.3° |
| C | CA | CB | HA | 117.6° | 120.1° |
| CA | C | O | OXT | 179.8° | 180.0° |
| C | CA | CB | CG | 171.3° | 180.0° |
| C | CA | CB | HB2 | 63.4° | 59.9° |
| C | CA | CB | HB3 | 46.0° | 60.1° |
| CA | C | OXT | HXT | 179.9° | 179.9° |
| CB | CA | C | O | 79.0° | 89.9° |
| CB | CA | C | OXT | 100.8° | 90.1° |
| CA | CB | CG | HB2 | 125.2° | 120.1° |
| CA | CB | CG | HB3 | 125.2° | 119.8° |
| CA | CB | HB2 | HB3 | 117.7° | 119.9° |
| CA | CB | CG | CD | 178.7° | 179.9° |
| CA | CB | CG | HG2 | 53.4° | 60.0° |
| CA | CB | CG | HG3 | 56.0° | 60.1° |
| HA | CA | C | O | 159.7° | 149.9° |
| HA | CA | C | OXT | 20.5° | 30.1° |
| HA | CA | CB | CG | 53.7° | 59.9° |
| HA | CA | CB | HB2 | 179.0° | 180.0° |
| HA | CA | CB | HB3 | 71.6° | 60.0° |
| O | C | OXT | HXT | 0.3° | 0.0° |
| CG | CB | HB2 | HB3 | 117.8° | 120.0° |
| CB | CG | CD | HG2 | 125.3° | 120.0° |
| CB | CG | CD | HG3 | 125.2° | 120.0° |
| CB | CG | HG2 | HG3 | 116.2° | 120.0° |
| CB | CG | CD | CE1 | 82.9° | 90.1° |
| CB | CG | CD | CE2 | 99.1° | 90.3° |
| HB2 | CB | CG | CD | 56.1° | 59.9° |
| HB2 | CB | CG | HG2 | 178.6° | 179.9° |
| HB2 | CB | CG | HG3 | 69.2° | 60.0° |
| HB3 | CB | CG | CD | 53.5° | 60.1° |
| HB3 | CB | CG | HG2 | 71.8° | 59.9° |
| HB3 | CB | CG | HG3 | 178.7° | 179.9° |
| CD | CG | HG2 | HG3 | 116.3° | 120.0° |
| CG | CD | CE1 | CE2 | 178.0° | 179.6° |
| CG | CD | CE1 | CZ1 | 179.9° | 180.0° |
| CG | CD | CE1 | HE1 | 0.1° | 0.1° |
| CG | CD | CE2 | CZ2 | 179.9° | 179.8° |
| CG | CD | CE2 | HE2 | 0.1° | 0.4° |
| HG2 | CG | CD | CE1 | 151.9° | 30.0° |
| HG2 | CG | CD | CE2 | 26.1° | 149.7° |
| HG3 | CG | CD | CE1 | 42.4° | 150.0° |
| HG3 | CG | CD | CE2 | 135.6° | 29.7° |
| CD | CE1 | CZ1 | HE1 | 180.0° | 180.0° |
| CE1 | CD | CE2 | CZ2 | 1.9° | 0.6° |
| CE1 | CD | CE2 | HE2 | 178.2° | 180.0° |
| CD | CE1 | CZ1 | CH | 1.6° | 0.1° |
| CD | CE1 | CZ1 | HZ1 | 178.4° | 179.9° |
| CE2 | CD | CE1 | CZ1 | 2.2° | 0.4° |
| CE2 | CD | CE1 | HE1 | 177.9° | 179.7° |
| CD | CE2 | CZ2 | HE2 | 180.0° | 179.4° |
| CD | CE2 | CZ2 | CH | 1.1° | 0.6° |
| CD | CE2 | CZ2 | HZ2 | 178.9° | 179.7° |
| CE1 | CZ1 | CH | HZ1 | 179.9° | 180.0° |
| CE1 | CZ1 | CH | CZ2 | 0.7° | 0.0° |
| CE1 | CZ1 | CH | HH | 179.3° | 180.0° |
| HE1 | CE1 | CZ1 | CH | 178.5° | 180.0° |
| HE1 | CE1 | CZ1 | HZ1 | 1.6° | 0.0° |
| CE2 | CZ2 | CH | CZ1 | 0.5° | 0.3° |
| CE2 | CZ2 | CH | HZ2 | 180.0° | 179.7° |
| CE2 | CZ2 | CH | HH | 179.5° | 179.8° |
| HE2 | CE2 | CZ2 | CH | 179.0° | 180.0° |
| HE2 | CE2 | CZ2 | HZ2 | 1.0° | 0.3° |
| CZ1 | CH | CZ2 | HH | 180.0° | 179.9° |
| CZ1 | CH | CZ2 | HZ2 | 179.5° | 180.0° |
| HZ1 | CZ1 | CH | CZ2 | 179.3° | 179.9° |
| HZ1 | CZ1 | CH | HH | 0.7° | 0.0° |
| HZ2 | CZ2 | CH | HH | 0.5° | 0.1° |
