HPH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.44Å | |
| C | CA | sing | 1.53Å | 1.53Å | |
| C | OXT | sing | 1.43Å | 1.43Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.42Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | 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 | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.38Å | 1.38Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| C | HC | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 107.0° | 109.5° |
| O | C | OXT | 143.9° | 109.4° |
| C | O | HO | 109.5° | 114.0° |
| O | C | HC | 75.3° | 109.5° |
| CA | C | OXT | 108.7° | 109.5° |
| C | CA | N | 117.8° | 109.5° |
| C | CA | CB | 106.9° | 109.4° |
| C | CA | HA | 105.8° | 109.5° |
| CA | C | HC | 167.1° | 109.5° |
| OXT | C | HC | 71.0° | 109.5° |
| C | OXT | HXT | 109.5° | 113.9° |
| N | CA | CB | 110.1° | 109.5° |
| N | CA | HA | 102.3° | 109.5° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| CB | CA | HA | 114.1° | 109.5° |
| CA | CB | CG | 102.6° | 109.4° |
| CA | CB | HB2 | 111.8° | 109.5° |
| CA | CB | HB3 | 111.8° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CG | CB | HB2 | 111.8° | 109.5° |
| CG | CB | HB3 | 111.8° | 109.5° |
| CB | CG | CD1 | 119.3° | 119.9° |
| CB | CG | CD2 | 119.0° | 120.0° |
| HB2 | CB | HB3 | 107.0° | 109.4° |
| CD1 | CG | CD2 | 121.4° | 120.0° |
| CG | CD1 | CE1 | 117.6° | 120.0° |
| CG | CD1 | HD1 | 121.2° | 120.1° |
| CG | CD2 | CE2 | 120.0° | 120.0° |
| CG | CD2 | HD2 | 120.0° | 119.9° |
| CE1 | CD1 | HD1 | 121.2° | 119.9° |
| CD1 | CE1 | CZ | 120.0° | 120.0° |
| CD1 | CE1 | HE1 | 120.0° | 120.1° |
| CE2 | CD2 | HD2 | 120.0° | 120.0° |
| CD2 | CE2 | CZ | 118.6° | 120.0° |
| CD2 | CE2 | HE2 | 120.7° | 120.0° |
| CZ | CE1 | HE1 | 120.0° | 119.9° |
| CE1 | CZ | CE2 | 122.3° | 119.9° |
| CE1 | CZ | HZ | 118.8° | 120.0° |
| CZ | CE2 | HE2 | 120.7° | 119.9° |
| CE2 | CZ | HZ | 118.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 174.7° | 120.0° |
| O | C | CA | HC | 98.6° | 120.0° |
| O | C | OXT | HC | 22.3° | 120.0° |
| O | C | CA | N | 155.9° | 180.0° |
| O | C | CA | CB | 79.6° | 60.0° |
| O | C | CA | HA | 42.4° | 60.0° |
| O | C | OXT | HXT | 180.0° | 60.0° |
| CA | C | OXT | HC | 166.3° | 120.0° |
| CA | C | O | HO | 180.0° | 59.9° |
| C | CA | N | CB | 122.9° | 119.9° |
| C | CA | N | HA | 115.4° | 120.1° |
| C | CA | CB | HA | 116.6° | 120.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | CG | 164.4° | 175.0° |
| C | CA | CB | HB2 | 75.6° | 65.0° |
| C | CA | CB | HB3 | 44.4° | 55.0° |
| CA | C | OXT | HXT | 8.7° | 180.0° |
| OXT | C | O | HO | 8.5° | 60.0° |
| OXT | C | CA | N | 29.4° | 60.1° |
| OXT | C | CA | CB | 95.1° | 180.0° |
| OXT | C | CA | HA | 142.9° | 60.0° |
| HO | O | C | HC | 13.2° | 180.0° |
| N | CA | CB | HA | 114.3° | 120.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | CG | 66.5° | 65.0° |
| N | CA | CB | HB2 | 53.5° | 55.0° |
| N | CA | CB | HB3 | 173.5° | 175.0° |
| N | CA | C | HC | 57.3° | 60.0° |
| CB | CA | N | H | 57.1° | 176.0° |
| CB | CA | N | H2 | 177.1° | 60.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 122.8° | 120.0° |
| CA | CB | CG | CD1 | 74.1° | 90.0° |
| CA | CB | CG | CD2 | 100.1° | 90.3° |
| CB | CA | C | HC | 178.2° | 60.0° |
| HA | CA | N | H | 64.6° | 56.0° |
| HA | CA | N | H2 | 55.4° | 180.0° |
| HA | CA | CB | CG | 47.8° | 55.0° |
| HA | CA | CB | HB2 | 167.8° | 175.0° |
| HA | CA | CB | HB3 | 72.2° | 65.0° |
| HA | CA | C | HC | 56.2° | 180.0° |
| CG | CB | HB2 | HB3 | 122.8° | 120.0° |
| CB | CG | CD1 | CD2 | 174.1° | 179.7° |
| CB | CG | CD1 | CE1 | 176.9° | 180.0° |
| CB | CG | CD1 | HD1 | 3.1° | 0.0° |
| CB | CG | CD2 | CE2 | 176.5° | 180.0° |
| CB | CG | CD2 | HD2 | 3.5° | 0.1° |
| HB2 | CB | CG | CD1 | 165.8° | 30.0° |
| HB2 | CB | CG | CD2 | 19.9° | 149.7° |
| HB3 | CB | CG | CD1 | 45.8° | 150.0° |
| HB3 | CB | CG | CD2 | 139.9° | 29.8° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 2.4° | 0.3° |
| CD1 | CG | CD2 | HD2 | 177.6° | 179.6° |
| CG | CD1 | CE1 | CZ | 2.5° | 0.1° |
| CG | CD1 | CE1 | HE1 | 177.5° | 179.9° |
| CD2 | CG | CD1 | CE1 | 2.8° | 0.3° |
| CD2 | CG | CD1 | HD1 | 177.2° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | CE2 | CZ | 1.7° | 0.0° |
| CG | CD2 | CE2 | HE2 | 178.4° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 1.9° | 0.2° |
| CD1 | CE1 | CZ | HZ | 178.1° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 177.5° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 2.5° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 1.5° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 178.6° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 178.4° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 1.6° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 178.6° | 179.8° |
| HE1 | CE1 | CZ | CE2 | 178.1° | 179.8° |
| HE1 | CE1 | CZ | HZ | 1.9° | 0.1° |
| HE2 | CE2 | CZ | HZ | 1.4° | 0.0° |
| HC | C | OXT | HXT | 157.7° | 60.0° |
