VR0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | NH3 | sing | 1.47Å | 1.47Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| NH2 | CZ | doub | 1.30Å | 1.33Å | |
| NH2 | HH22 | sing | 0.97Å | 1.00Å | |
| O1 | C6 | doub | 1.22Å | 1.23Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | NE | sing | 1.46Å | 1.47Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| NH3 | C6 | sing | 1.35Å | 1.33Å | |
| NH3 | HH33 | sing | 0.97Å | 1.00Å | |
| NE | CZ | sing | 1.37Å | 1.33Å | |
| NE | HE | sing | 0.97Å | 1.00Å | |
| NH1 | CZ | sing | 1.38Å | 1.33Å | |
| NH1 | C6 | sing | 1.35Å | 1.34Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| CA | HA | 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) |
| NH3 | C1 | H5 | 109.5° | 109.4° |
| NH3 | C1 | H4 | 109.5° | 109.4° |
| NH3 | C1 | H3 | 109.4° | 109.4° |
| C1 | NH3 | C6 | 117.9° | 120.0° |
| C1 | NH3 | HH33 | 121.1° | 120.0° |
| H5 | C1 | H4 | 109.4° | 109.5° |
| H5 | C1 | H3 | 109.5° | 109.5° |
| H4 | C1 | H3 | 109.5° | 109.5° |
| CZ | NH2 | HH22 | 112.0° | 120.0° |
| NH2 | CZ | NE | 119.5° | 120.0° |
| NH2 | CZ | NH1 | 122.1° | 120.0° |
| O1 | C6 | NH3 | 122.6° | 120.0° |
| O1 | C6 | NH1 | 120.2° | 120.0° |
| O | C | CA | 119.9° | 120.0° |
| O | C | OXT | 120.0° | 120.0° |
| CD | CG | CB | 111.1° | 109.5° |
| CD | CG | HG2 | 108.9° | 109.5° |
| CD | CG | HG3 | 109.0° | 109.5° |
| CG | CD | NE | 108.7° | 109.5° |
| CG | CD | HD2 | 109.7° | 109.4° |
| CG | CD | HD3 | 109.7° | 109.4° |
| CB | CG | HG2 | 108.9° | 109.5° |
| CB | CG | HG3 | 108.9° | 109.5° |
| CG | CB | CA | 111.1° | 109.5° |
| CG | CB | HB2 | 108.9° | 109.5° |
| CG | CB | HB3 | 108.9° | 109.5° |
| HG2 | CG | HG3 | 110.0° | 109.4° |
| NE | CD | HD2 | 109.7° | 109.5° |
| NE | CD | HD3 | 109.8° | 109.5° |
| CD | NE | CZ | 121.2° | 120.0° |
| CD | NE | HE | 119.4° | 120.0° |
| HD2 | CD | HD3 | 109.2° | 109.5° |
| CA | CB | HB2 | 108.9° | 109.5° |
| CA | CB | HB3 | 108.9° | 109.5° |
| CB | CA | N | 109.3° | 109.4° |
| CB | CA | C | 109.3° | 109.5° |
| CB | CA | HA | 109.6° | 109.4° |
| HB2 | CB | HB3 | 110.0° | 109.4° |
| C6 | NH3 | HH33 | 121.0° | 120.0° |
| NH3 | C6 | NH1 | 116.8° | 120.0° |
| CZ | NE | HE | 119.4° | 120.0° |
| NE | CZ | NH1 | 118.3° | 120.0° |
| CZ | NH1 | C6 | 125.1° | 120.0° |
| CZ | NH1 | HH11 | 117.4° | 120.0° |
| C6 | NH1 | HH11 | 117.5° | 120.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | C | 109.0° | 109.5° |
| N | CA | HA | 109.8° | 109.5° |
| H2 | N | H | 109.5° | 111.0° |
| CA | C | OXT | 120.1° | 120.0° |
| C | CA | HA | 109.9° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NH3 | C1 | H5 | H4 | 120.0° | 120.0° |
| NH3 | C1 | H5 | H3 | 120.0° | 119.9° |
| NH3 | C1 | H4 | H3 | 120.0° | 120.0° |
| C1 | NH3 | C6 | O1 | 6.0° | 0.1° |
| C1 | NH3 | C6 | HH33 | 180.0° | 179.9° |
| C1 | NH3 | C6 | NH1 | 179.8° | 180.0° |
| H5 | C1 | H4 | H3 | 120.0° | 120.1° |
| H5 | C1 | NH3 | C6 | 180.0° | 180.0° |
| H5 | C1 | NH3 | HH33 | 0.0° | 0.1° |
| H4 | C1 | NH3 | C6 | 60.0° | 60.0° |
| H4 | C1 | NH3 | HH33 | 120.0° | 120.1° |
| H3 | C1 | NH3 | C6 | 60.0° | 60.0° |
| H3 | C1 | NH3 | HH33 | 120.0° | 119.9° |
| NH2 | CZ | NE | CD | 3.9° | 6.2° |
| NH2 | CZ | NE | NH1 | 175.6° | 180.0° |
| NH2 | CZ | NE | HE | 176.2° | 173.9° |
| NH2 | CZ | NH1 | C6 | 6.8° | 173.7° |
| NH2 | CZ | NH1 | HH11 | 173.2° | 6.3° |
| HH22 | NH2 | CZ | NE | 175.5° | 174.9° |
| HH22 | NH2 | CZ | NH1 | 0.0° | 5.1° |
| O1 | C6 | NH3 | NH1 | 173.7° | 180.0° |
| O1 | C6 | NH3 | HH33 | 174.0° | 180.0° |
| O1 | C6 | NH1 | CZ | 7.7° | 4.8° |
| O1 | C6 | NH1 | HH11 | 172.3° | 175.2° |
| O | C | CA | CB | 73.4° | 100.0° |
| O | C | CA | N | 45.9° | 20.0° |
| O | C | CA | OXT | 180.0° | 180.0° |
| O | C | CA | HA | 166.3° | 140.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CD | CG | CB | HG2 | 120.0° | 120.0° |
| CD | CG | CB | HG3 | 120.0° | 120.0° |
| CD | CG | HG2 | HG3 | 119.4° | 120.0° |
| CG | CD | NE | HD2 | 120.0° | 120.0° |
| CG | CD | NE | HD3 | 120.0° | 120.0° |
| CG | CD | HD2 | HD3 | 120.3° | 120.0° |
| CD | CG | CB | CA | 174.1° | NaN° |
| CD | CG | CB | HB2 | 54.1° | 59.9° |
| CD | CG | CB | HB3 | 65.9° | 60.0° |
| CG | CD | NE | CZ | 116.0° | 180.0° |
| CG | CD | NE | HE | 64.0° | 0.1° |
| CB | CG | HG2 | HG3 | 119.3° | 120.0° |
| CB | CG | CD | NE | 177.0° | 180.0° |
| CB | CG | CD | HD2 | 57.0° | 60.0° |
| CB | CG | CD | HD3 | 63.0° | 60.0° |
| CG | CB | CA | HB2 | 120.0° | 120.0° |
| CG | CB | CA | HB3 | 120.0° | 120.0° |
| CG | CB | HB2 | HB3 | 119.3° | 120.0° |
| CG | CB | CA | N | 55.6° | 65.0° |
| CG | CB | CA | C | 174.8° | 175.0° |
| CG | CB | CA | HA | 64.8° | 55.1° |
| HG2 | CG | CD | NE | 57.0° | 60.0° |
| HG2 | CG | CD | HD2 | 63.0° | 60.1° |
| HG2 | CG | CD | HD3 | 177.0° | 180.0° |
| HG2 | CG | CB | CA | 65.9° | 60.0° |
| HG2 | CG | CB | HB2 | 174.0° | 180.0° |
| HG2 | CG | CB | HB3 | 54.1° | 60.0° |
| HG3 | CG | CD | NE | 63.0° | 60.0° |
| HG3 | CG | CD | HD2 | 177.0° | 180.0° |
| HG3 | CG | CD | HD3 | 57.0° | 60.0° |
| HG3 | CG | CB | CA | 54.0° | 60.0° |
| HG3 | CG | CB | HB2 | 66.0° | 60.0° |
| HG3 | CG | CB | HB3 | 174.0° | 180.0° |
| NE | CD | HD2 | HD3 | 120.3° | 120.1° |
| CD | NE | CZ | HE | 180.0° | 179.9° |
| CD | NE | CZ | NH1 | 179.5° | 173.8° |
| HD2 | CD | NE | CZ | 3.9° | 60.0° |
| HD2 | CD | NE | HE | 176.0° | 119.9° |
| HD3 | CD | NE | CZ | 124.0° | 60.1° |
| HD3 | CD | NE | HE | 56.0° | 120.0° |
| CA | CB | HB2 | HB3 | 119.3° | 120.0° |
| CB | CA | N | C | 119.3° | 120.0° |
| CB | CA | N | HA | 120.2° | 120.0° |
| CB | CA | N | H2 | 180.0° | 60.0° |
| CB | CA | N | H | 60.0° | 64.0° |
| CB | CA | C | HA | 120.3° | 119.9° |
| CB | CA | C | OXT | 106.6° | 80.0° |
| HB2 | CB | CA | N | 175.6° | 175.0° |
| HB2 | CB | CA | C | 65.2° | 55.0° |
| HB2 | CB | CA | HA | 55.2° | 65.0° |
| HB3 | CB | CA | N | 64.4° | 55.0° |
| HB3 | CB | CA | C | 54.8° | 65.0° |
| HB3 | CB | CA | HA | 175.2° | 175.1° |
| NH3 | C6 | NH1 | CZ | 178.4° | 175.3° |
| NH3 | C6 | NH1 | HH11 | 1.6° | 4.7° |
| HH33 | NH3 | C6 | NH1 | 0.2° | 0.1° |
| NE | CZ | NH1 | C6 | 177.7° | 6.2° |
| NE | CZ | NH1 | HH11 | 2.3° | 173.7° |
| HE | NE | CZ | NH1 | 0.5° | 6.1° |
| CZ | NH1 | C6 | HH11 | 180.0° | 180.0° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | C | HA | 120.4° | 120.1° |
| N | CA | C | OXT | 134.1° | 160.0° |
| H2 | N | CA | C | 60.7° | 60.0° |
| H2 | N | CA | HA | 59.7° | 180.0° |
| H | N | CA | C | 59.3° | 176.0° |
| H | N | CA | HA | 179.7° | 56.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| OXT | C | CA | HA | 13.7° | 39.9° |
