VHF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA1 | PA | doub | 1.48Å | 1.50Å | |
| OA3 | PA | sing | 1.61Å | 1.52Å | |
| OE1 | CD | doub | 1.21Å | 1.23Å | |
| PA | OE2 | sing | 1.61Å | 1.87Å | |
| PA | OA2 | sing | 1.61Å | 1.51Å | |
| CD | OE2 | sing | 1.34Å | 1.28Å | |
| CD | CG | sing | 1.51Å | 1.52Å | |
| CG | CB | sing | 1.53Å | 1.55Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| OA2 | HA2 | sing | 0.97Å | 0.95Å | |
| OA3 | HA3 | sing | 0.97Å | 0.95Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA1 | PA | OA3 | 113.1° | 109.5° |
| OA1 | PA | OE2 | 100.9° | 109.5° |
| OA1 | PA | OA2 | 120.9° | 109.5° |
| OA3 | PA | OE2 | 103.6° | 109.4° |
| OA3 | PA | OA2 | 114.3° | 109.5° |
| PA | OA3 | HA3 | 109.5° | 114.0° |
| OE1 | CD | OE2 | 121.9° | 120.0° |
| OE1 | CD | CG | 119.6° | 120.0° |
| OE2 | PA | OA2 | 100.3° | 109.5° |
| PA | OE2 | CD | 125.0° | 117.0° |
| PA | OA2 | HA2 | 109.5° | 114.0° |
| OE2 | CD | CG | 118.4° | 120.0° |
| CD | CG | CB | 107.9° | 109.5° |
| CD | CG | HG2 | 109.9° | 109.5° |
| CD | CG | HG3 | 109.8° | 109.5° |
| CG | CB | CA | 111.9° | 109.5° |
| CB | CG | HG2 | 109.9° | 109.5° |
| CB | CG | HG3 | 109.8° | 109.4° |
| CG | CB | HB2 | 108.9° | 109.5° |
| CG | CB | HB3 | 108.9° | 109.4° |
| CB | CA | C | 111.7° | 109.4° |
| CB | CA | N | 108.9° | 109.5° |
| CA | CB | HB2 | 108.9° | 109.5° |
| CA | CB | HB3 | 108.9° | 109.5° |
| CB | CA | HA | 108.5° | 109.4° |
| C | CA | N | 110.3° | 109.5° |
| CA | C | O | 118.1° | 120.0° |
| CA | C | OXT | 116.4° | 120.0° |
| C | CA | HA | 107.9° | 109.5° |
| N | CA | HA | 109.3° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.4° | 111.0° |
| O | C | OXT | 125.5° | 120.1° |
| C | OXT | HXT | 109.5° | 117.0° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H2 | N | H | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA1 | PA | OA3 | OE2 | 108.3° | 120.0° |
| OA1 | PA | OA3 | OA2 | 143.6° | 120.0° |
| OA1 | PA | OE2 | OA2 | 124.5° | 120.0° |
| OA1 | PA | OE2 | CD | 81.7° | 55.0° |
| OA1 | PA | OA2 | HA2 | 0.0° | 60.0° |
| OA1 | PA | OA3 | HA3 | 0.0° | 180.0° |
| OA3 | PA | OE2 | OA2 | 118.3° | 120.0° |
| OA3 | PA | OE2 | CD | 35.5° | 65.0° |
| OA3 | PA | OA2 | HA2 | 140.5° | 60.0° |
| OE1 | CD | OE2 | PA | 11.9° | 0.0° |
| OE1 | CD | OE2 | CG | 177.2° | 179.9° |
| OE1 | CD | CG | CB | 83.4° | 0.1° |
| OE1 | CD | CG | HG2 | 156.9° | 120.0° |
| OE1 | CD | CG | HG3 | 36.4° | 120.0° |
| PA | OE2 | CD | CG | 165.2° | 180.0° |
| OE2 | PA | OA2 | HA2 | 109.4° | 180.0° |
| OE2 | PA | OA3 | HA3 | 108.3° | 60.0° |
| OA2 | PA | OE2 | CD | 153.8° | 175.0° |
| OA2 | PA | OA3 | HA3 | 143.6° | 60.0° |
| OE2 | CD | CG | CB | 93.9° | 180.0° |
| OE2 | CD | CG | HG2 | 25.9° | 60.0° |
| OE2 | CD | CG | HG3 | 146.4° | 60.0° |
| CD | CG | CB | HG2 | 119.8° | 120.0° |
| CD | CG | CB | HG3 | 119.7° | 120.0° |
| CD | CG | CB | CA | 165.4° | 180.0° |
| CD | CG | HG2 | HG3 | 120.7° | 120.0° |
| CD | CG | CB | HB2 | 45.0° | 59.9° |
| CD | CG | CB | HB3 | 74.3° | 60.1° |
| CG | CB | CA | HB2 | 120.4° | 120.0° |
| CG | CB | CA | HB3 | 120.3° | 119.9° |
| CG | CB | CA | C | 172.9° | 175.0° |
| CG | CB | CA | N | 64.9° | 65.0° |
| CB | CG | HG2 | HG3 | 120.7° | 120.0° |
| CG | CB | HB2 | HB3 | 118.9° | 119.9° |
| CG | CB | CA | HA | 54.0° | 55.0° |
| CB | CA | C | N | 121.4° | 120.0° |
| CB | CA | C | HA | 119.3° | 119.9° |
| CB | CA | N | HA | 118.4° | 120.0° |
| CB | CA | C | O | 10.0° | 100.1° |
| CB | CA | C | OXT | 171.7° | 80.0° |
| CA | CB | CG | HG2 | 74.8° | 60.0° |
| CA | CB | CG | HG3 | 45.6° | 60.0° |
| CA | CB | HB2 | HB3 | 118.9° | 120.1° |
| CB | CA | N | H2 | 180.0° | 176.1° |
| CB | CA | N | H | 60.0° | 60.0° |
| C | CA | N | HA | 118.5° | 120.1° |
| CA | C | O | OXT | 178.2° | 179.9° |
| C | CA | CB | HB2 | 52.5° | 55.0° |
| C | CA | CB | HB3 | 66.7° | 65.0° |
| CA | C | OXT | HXT | 178.2° | 179.9° |
| C | CA | N | H2 | 57.0° | 64.0° |
| C | CA | N | H | 63.0° | 59.9° |
| N | CA | C | O | 131.3° | 19.9° |
| N | CA | C | OXT | 50.3° | 160.0° |
| N | CA | CB | HB2 | 174.7° | 175.0° |
| N | CA | CB | HB3 | 55.4° | 54.9° |
| CA | N | H2 | H | 120.0° | 123.9° |
| O | C | CA | HA | 109.3° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 69.0° | 39.9° |
| HG2 | CG | CB | HB2 | 164.8° | 180.0° |
| HG2 | CG | CB | HB3 | 45.5° | 60.0° |
| HG3 | CG | CB | HB2 | 74.8° | 60.0° |
| HG3 | CG | CB | HB3 | 166.0° | 180.0° |
| HB2 | CB | CA | HA | 66.4° | 65.0° |
| HB3 | CB | CA | HA | 174.3° | 175.0° |
| HA | CA | N | H2 | 61.5° | 56.1° |
| HA | CA | N | H | 178.4° | 180.0° |
