PVH
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 | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.37Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | ND1 | sing | 1.34Å | 1.38Å | Aromatic |
| CG | CD2 | doub | 1.35Å | 1.36Å | Aromatic |
| ND1 | CE1 | doub | 1.31Å | 1.32Å | Aromatic |
| ND1 | HD1 | sing | 0.97Å | 1.00Å | |
| CD2 | NE2 | sing | 1.37Å | 1.37Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | NE2 | sing | 1.35Å | 1.32Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| NE2 | HE2 | sing | 0.97Å | 1.00Å | |
| OXT | CM | sing | 1.45Å | 1.46Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 106.6° |
| CA | N | H2 | 109.4° | 106.7° |
| N | CA | C | 108.3° | 109.5° |
| N | CA | CB | 109.0° | 109.5° |
| N | CA | HA | 108.4° | 109.5° |
| H | N | H2 | 109.5° | 106.7° |
| C | CA | CB | 102.2° | 109.4° |
| C | CA | HA | 114.6° | 109.4° |
| CA | C | O | 118.7° | 120.0° |
| CA | C | OXT | 123.0° | 120.0° |
| CB | CA | HA | 114.0° | 109.5° |
| CA | CB | CG | 116.7° | 109.5° |
| CA | CB | HB2 | 107.1° | 109.5° |
| CA | CB | HB3 | 105.5° | 109.5° |
| O | C | OXT | 117.4° | 120.0° |
| C | OXT | CM | 120.5° | 120.0° |
| CG | CB | HB2 | 107.2° | 109.4° |
| CG | CB | HB3 | 105.5° | 109.4° |
| CB | CG | ND1 | 122.8° | 126.0° |
| CB | CG | CD2 | 130.4° | 125.9° |
| HB2 | CB | HB3 | 115.3° | 109.5° |
| ND1 | CG | CD2 | 106.0° | 108.1° |
| CG | ND1 | CE1 | 109.6° | 109.3° |
| CG | ND1 | HD1 | 125.2° | 125.4° |
| CG | CD2 | NE2 | 107.0° | 106.8° |
| CG | CD2 | HD2 | 126.5° | 126.7° |
| CE1 | ND1 | HD1 | 125.2° | 125.4° |
| ND1 | CE1 | NE2 | 108.0° | 108.7° |
| ND1 | CE1 | HE1 | 126.0° | 125.7° |
| NE2 | CD2 | HD2 | 126.5° | 126.6° |
| CD2 | NE2 | CE1 | 109.4° | 107.2° |
| CD2 | NE2 | HE2 | 125.3° | 126.4° |
| NE2 | CE1 | HE1 | 126.0° | 125.6° |
| CE1 | NE2 | HE2 | 125.3° | 126.4° |
| OXT | CM | HM1 | 109.5° | 109.5° |
| OXT | CM | HM2 | 109.4° | 109.6° |
| OXT | CM | HM3 | 109.5° | 109.5° |
| HM1 | CM | HM2 | 109.5° | 109.5° |
| HM1 | CM | HM3 | 109.5° | 109.4° |
| HM2 | CM | HM3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 113.8° |
| N | CA | C | CB | 115.0° | 120.0° |
| N | CA | C | HA | 121.2° | 120.0° |
| N | CA | CB | HA | 121.3° | 120.1° |
| N | CA | C | O | 52.2° | 20.0° |
| N | CA | C | OXT | 116.7° | 160.1° |
| N | CA | CB | CG | 41.9° | 65.0° |
| N | CA | CB | HB2 | 78.1° | 54.9° |
| N | CA | CB | HB3 | 158.5° | 175.0° |
| H | N | CA | C | 59.4° | 53.8° |
| H | N | CA | CB | 169.8° | 173.8° |
| H | N | CA | HA | 65.6° | 66.2° |
| H2 | N | CA | C | 60.6° | 60.0° |
| H2 | N | CA | CB | 49.8° | 60.0° |
| H2 | N | CA | HA | 174.4° | 180.0° |
| C | CA | CB | HA | 124.3° | 120.0° |
| CA | C | O | OXT | 169.5° | 179.9° |
| C | CA | CB | CG | 156.3° | 175.0° |
| C | CA | CB | HB2 | 36.3° | 65.1° |
| C | CA | CB | HB3 | 87.0° | 55.0° |
| CA | C | OXT | CM | 44.9° | 180.0° |
| CB | CA | C | O | 62.7° | 100.0° |
| CB | CA | C | OXT | 128.3° | 79.9° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 116.7° | 120.0° |
| CA | CB | HB2 | HB3 | 117.0° | 120.1° |
| CA | CB | CG | ND1 | 97.6° | 95.3° |
| CA | CB | CG | CD2 | 94.0° | 85.0° |
| HA | CA | C | O | 173.4° | 140.0° |
| HA | CA | C | OXT | 4.5° | 40.0° |
| HA | CA | CB | CG | 79.4° | 55.0° |
| HA | CA | CB | HB2 | 160.6° | 175.0° |
| HA | CA | CB | HB3 | 37.3° | 65.0° |
| O | C | OXT | CM | 146.0° | 0.1° |
| C | OXT | CM | HM1 | 23.5° | 60.1° |
| C | OXT | CM | HM2 | 143.5° | 59.9° |
| C | OXT | CM | HM3 | 96.5° | 180.0° |
| CG | CB | HB2 | HB3 | 117.1° | 119.9° |
| CB | CG | ND1 | CD2 | 170.9° | 179.7° |
| CB | CG | ND1 | CE1 | 170.2° | 179.9° |
| CB | CG | ND1 | HD1 | 9.8° | 0.2° |
| CB | CG | CD2 | NE2 | 169.2° | 180.0° |
| CB | CG | CD2 | HD2 | 10.9° | 0.1° |
| HB2 | CB | CG | ND1 | 142.4° | 144.7° |
| HB2 | CB | CG | CD2 | 26.0° | 35.0° |
| HB3 | CB | CG | ND1 | 19.0° | 24.8° |
| HB3 | CB | CG | CD2 | 149.4° | 154.9° |
| CG | ND1 | CE1 | HD1 | 180.0° | 179.7° |
| ND1 | CG | CD2 | NE2 | 0.7° | 0.3° |
| ND1 | CG | CD2 | HD2 | 179.2° | 179.8° |
| CG | ND1 | CE1 | NE2 | 0.4° | 0.3° |
| CG | ND1 | CE1 | HE1 | 179.7° | 179.9° |
| CD2 | CG | ND1 | CE1 | 0.7° | 0.4° |
| CD2 | CG | ND1 | HD1 | 179.3° | 179.9° |
| CG | CD2 | NE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | NE2 | CE1 | 0.5° | 0.1° |
| CG | CD2 | NE2 | HE2 | 179.4° | 180.0° |
| ND1 | CE1 | NE2 | CD2 | 0.1° | 0.1° |
| ND1 | CE1 | NE2 | HE1 | 180.0° | 179.8° |
| ND1 | CE1 | NE2 | HE2 | 179.9° | 179.8° |
| HD1 | ND1 | CE1 | NE2 | 179.6° | 180.0° |
| HD1 | ND1 | CE1 | HE1 | 0.3° | 0.1° |
| CD2 | NE2 | CE1 | HE2 | 180.0° | 179.9° |
| CD2 | NE2 | CE1 | HE1 | 179.9° | 180.0° |
| HD2 | CD2 | NE2 | CE1 | 179.4° | 180.0° |
| HD2 | CD2 | NE2 | HE2 | 0.6° | 0.1° |
| HE1 | CE1 | NE2 | HE2 | 0.1° | 0.1° |
| OXT | CM | HM1 | HM2 | 120.0° | 120.1° |
| OXT | CM | HM1 | HM3 | 120.0° | 120.0° |
| OXT | CM | HM2 | HM3 | 120.0° | 120.0° |
| HM1 | CM | HM2 | HM3 | 120.0° | 119.9° |
