PHA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.27Å | |
| C | HC | sing | 1.08Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.38Å | 1.41Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.38Å | 1.41Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CZ | HZ | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.3° | 106.7° |
| CA | N | H2 | 112.3° | 106.7° |
| N | CA | C | 109.3° | 109.4° |
| N | CA | CB | 110.2° | 109.5° |
| N | CA | HA | 111.0° | 109.4° |
| H | N | H2 | 112.3° | 106.7° |
| C | CA | CB | 114.4° | 109.6° |
| C | CA | HA | 106.5° | 109.4° |
| CA | C | O | 119.0° | 120.0° |
| CA | C | HC | 129.8° | 119.9° |
| CB | CA | HA | 105.4° | 109.5° |
| CA | CB | CG | 114.8° | 109.5° |
| CA | CB | HB2 | 110.3° | 109.4° |
| CA | CB | HB3 | 110.3° | 109.5° |
| O | C | HC | 111.2° | 120.0° |
| CG | CB | HB2 | 110.3° | 109.5° |
| CG | CB | HB3 | 110.3° | 109.5° |
| CB | CG | CD1 | 118.7° | 120.0° |
| CB | CG | CD2 | 120.4° | 120.0° |
| HB2 | CB | HB3 | 99.9° | 109.4° |
| CD1 | CG | CD2 | 120.9° | 120.0° |
| CG | CD1 | CE1 | 119.5° | 120.0° |
| CG | CD1 | HD1 | 120.1° | 120.0° |
| CG | CD2 | CE2 | 119.4° | 120.0° |
| CG | CD2 | HD2 | 119.7° | 120.0° |
| CE1 | CD1 | HD1 | 120.4° | 120.0° |
| CD1 | CE1 | CZ | 119.9° | 120.0° |
| CD1 | CE1 | HE1 | 120.9° | 120.0° |
| CE2 | CD2 | HD2 | 120.9° | 120.0° |
| CD2 | CE2 | CZ | 119.3° | 120.0° |
| CD2 | CE2 | HE2 | 120.3° | 120.0° |
| CZ | CE1 | HE1 | 119.1° | 120.0° |
| CE1 | CZ | CE2 | 121.0° | 120.0° |
| CE1 | CZ | HZ | 118.5° | 120.0° |
| CZ | CE2 | HE2 | 120.3° | 120.0° |
| CE2 | CZ | HZ | 120.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.8° |
| N | CA | C | CB | 124.1° | 120.1° |
| N | CA | C | HA | 119.9° | 119.9° |
| N | CA | CB | HA | 119.8° | 119.9° |
| N | CA | C | O | 175.5° | 0.1° |
| N | CA | C | HC | 4.4° | 180.0° |
| N | CA | CB | CG | 70.3° | 60.0° |
| N | CA | CB | HB2 | 55.0° | 60.1° |
| N | CA | CB | HB3 | 164.4° | 180.0° |
| H | N | CA | C | 180.0° | 173.9° |
| H | N | CA | CB | 53.4° | 53.7° |
| H | N | CA | HA | 63.0° | 66.2° |
| H2 | N | CA | C | 54.7° | 60.1° |
| H2 | N | CA | CB | 71.8° | 60.0° |
| H2 | N | CA | HA | 171.8° | 180.0° |
| C | CA | CB | HA | 116.6° | 120.0° |
| CA | C | O | HC | 180.0° | 179.9° |
| C | CA | CB | CG | 166.1° | 180.0° |
| C | CA | CB | HB2 | 68.6° | 60.0° |
| C | CA | CB | HB3 | 40.8° | 60.0° |
| CB | CA | C | O | 51.4° | 119.9° |
| CB | CA | C | HC | 128.5° | 59.9° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 116.1° | 120.0° |
| CA | CB | CG | CD1 | 24.3° | 90.0° |
| CA | CB | CG | CD2 | 155.9° | 90.3° |
| HA | CA | C | O | 64.6° | 120.0° |
| HA | CA | C | HC | 115.5° | 60.1° |
| HA | CA | CB | CG | 49.6° | 60.0° |
| HA | CA | CB | HB2 | 174.8° | 180.0° |
| HA | CA | CB | HB3 | 75.7° | 60.0° |
| CG | CB | HB2 | HB3 | 116.1° | 120.0° |
| CB | CG | CD1 | CD2 | 179.8° | 179.7° |
| CB | CG | CD1 | CE1 | 179.4° | 180.0° |
| CB | CG | CD1 | HD1 | 0.6° | 0.0° |
| CB | CG | CD2 | CE2 | 179.3° | 179.8° |
| CB | CG | CD2 | HD2 | 0.7° | 0.2° |
| HB2 | CB | CG | CD1 | 149.6° | 30.0° |
| HB2 | CB | CG | CD2 | 30.6° | 149.7° |
| HB3 | CB | CG | CD1 | 101.0° | 150.0° |
| HB3 | CB | CG | CD2 | 78.8° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.5° | 0.5° |
| CD1 | CG | CD2 | HD2 | 179.5° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.4° | 0.1° |
| CG | CD1 | CE1 | HE1 | 179.6° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.4° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.6° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.6° |
| CG | CD2 | CE2 | CZ | 0.7° | 0.5° |
| CG | CD2 | CE2 | HE2 | 179.3° | 179.8° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.6° | 0.1° |
| CD1 | CE1 | CZ | HZ | 179.4° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.6° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.4° | 0.1° |
| CD2 | CE2 | CZ | CE1 | 0.7° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.8° |
| CD2 | CE2 | CZ | HZ | 179.3° | 179.8° |
| HD2 | CD2 | CE2 | CZ | 179.3° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 0.7° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 179.3° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.5° | 179.9° |
| HE1 | CE1 | CZ | HZ | 0.6° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.7° | 0.1° |
