4V0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NZ1 | CE1 | sing | 1.34Å | 1.31Å | |
| NZ1 | CZ2 | doub | 1.28Å | 1.31Å | |
| CE1 | CD1 | doub | 1.33Å | 1.39Å | |
| CZ2 | CE2 | sing | 1.50Å | 1.40Å | |
| CD1 | CG | sing | 1.45Å | 1.40Å | |
| CE2 | CD2 | sing | 1.51Å | 1.41Å | |
| CG | CD2 | doub | 1.33Å | 1.39Å | |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.27Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CD1 | H7 | sing | 1.08Å | 1.08Å | |
| CE1 | H8 | sing | 1.08Å | 1.08Å | |
| CZ2 | H9 | sing | 1.08Å | 1.08Å | |
| CE2 | H10 | sing | 1.09Å | 1.10Å | |
| CE2 | H11 | sing | 1.09Å | 1.10Å | |
| CD2 | H12 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE1 | NZ1 | CZ2 | 131.6° | 124.4° |
| NZ1 | CE1 | CD1 | 129.1° | 126.3° |
| NZ1 | CE1 | H8 | 115.5° | 116.9° |
| NZ1 | CZ2 | CE2 | 128.8° | 122.0° |
| NZ1 | CZ2 | H9 | 115.6° | 119.0° |
| CE1 | CD1 | CG | 127.3° | 125.0° |
| CE1 | CD1 | H7 | 116.4° | 117.5° |
| CD1 | CE1 | H8 | 115.4° | 116.8° |
| CZ2 | CE2 | CD2 | 127.8° | 109.2° |
| CE2 | CZ2 | H9 | 115.6° | 119.0° |
| CZ2 | CE2 | H10 | 104.7° | 109.6° |
| CZ2 | CE2 | H11 | 104.7° | 109.6° |
| CD1 | CG | CD2 | 128.8° | 122.1° |
| CD1 | CG | CB | 115.2° | 119.0° |
| CG | CD1 | H7 | 116.4° | 117.5° |
| CE2 | CD2 | CG | 126.6° | 120.6° |
| CD2 | CE2 | H10 | 104.7° | 109.5° |
| CD2 | CE2 | H11 | 104.7° | 109.5° |
| CE2 | CD2 | H12 | 116.7° | 119.7° |
| CD2 | CG | CB | 115.8° | 119.0° |
| CG | CD2 | H12 | 116.7° | 119.7° |
| CG | CB | CA | 111.9° | 109.5° |
| CG | CB | H5 | 108.9° | 109.5° |
| CG | CB | H6 | 108.9° | 109.5° |
| CB | CA | C | 108.7° | 109.5° |
| CB | CA | N | 111.8° | 109.4° |
| CB | CA | HA | 108.2° | 109.4° |
| CA | CB | H5 | 108.9° | 109.5° |
| CA | CB | H6 | 108.9° | 109.5° |
| C | CA | N | 111.6° | 109.5° |
| CA | C | O | 120.1° | 120.0° |
| C | CA | HA | 108.3° | 109.5° |
| CA | C | OXT | 114.1° | 120.1° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 108.2° | 109.4° |
| O | C | OXT | 125.7° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.4° |
| H10 | CE2 | H11 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NZ1 | CE1 | CD1 | H8 | 180.0° | 180.0° |
| CE1 | NZ1 | CZ2 | CE2 | 0.6° | 1.5° |
| NZ1 | CE1 | CD1 | CG | 0.6° | 1.2° |
| NZ1 | CE1 | CD1 | H7 | 179.4° | 178.7° |
| CE1 | NZ1 | CZ2 | H9 | 179.4° | 178.5° |
| CZ2 | NZ1 | CE1 | CD1 | 1.5° | 42.1° |
| NZ1 | CZ2 | CE2 | H9 | 180.0° | 180.0° |
| NZ1 | CZ2 | CE2 | CD2 | 2.1° | 63.5° |
| CZ2 | NZ1 | CE1 | H8 | 178.5° | 137.9° |
| NZ1 | CZ2 | CE2 | H10 | 124.5° | 176.6° |
| NZ1 | CZ2 | CE2 | H11 | 120.3° | 56.4° |
| CE1 | CD1 | CG | H7 | 180.0° | 179.9° |
| CE1 | CD1 | CG | CD2 | 2.0° | 39.8° |
| CE1 | CD1 | CG | CB | 177.0° | 140.6° |
| CZ2 | CE2 | CD2 | H10 | 122.4° | 119.9° |
| CZ2 | CE2 | CD2 | H11 | 122.4° | 119.9° |
| CZ2 | CE2 | CD2 | CG | 0.4° | 61.4° |
| CZ2 | CE2 | H10 | H11 | 111.8° | 120.2° |
| CZ2 | CE2 | CD2 | H12 | 179.6° | 118.8° |
| CD1 | CG | CD2 | CE2 | 2.2° | 1.0° |
| CD1 | CG | CD2 | CB | 175.0° | 179.7° |
| CD1 | CG | CB | CA | 74.8° | 84.7° |
| CD1 | CG | CB | H5 | 45.6° | 155.3° |
| CD1 | CG | CB | H6 | 164.9° | 35.3° |
| CG | CD1 | CE1 | H8 | 179.4° | 178.8° |
| CD1 | CG | CD2 | H12 | 177.8° | 178.8° |
| CE2 | CD2 | CG | H12 | 180.0° | 179.7° |
| CE2 | CD2 | CG | CB | 177.2° | 179.4° |
| CD2 | CE2 | CZ2 | H9 | 177.9° | 116.4° |
| CD2 | CE2 | H10 | H11 | 111.8° | 120.1° |
| CD2 | CG | CB | CA | 100.9° | 95.0° |
| CD2 | CG | CB | H5 | 138.7° | 25.1° |
| CD2 | CG | CB | H6 | 19.5° | 145.0° |
| CD2 | CG | CD1 | H7 | 178.1° | 140.3° |
| CG | CD2 | CE2 | H10 | 122.8° | 178.6° |
| CG | CD2 | CE2 | H11 | 122.0° | 58.5° |
| CG | CB | CA | H5 | 120.4° | 120.0° |
| CG | CB | CA | H6 | 120.3° | 120.0° |
| CG | CB | CA | C | 166.1° | 175.0° |
| CG | CB | CA | N | 70.3° | 65.0° |
| CG | CB | CA | HA | 48.7° | 54.9° |
| CG | CB | H5 | H6 | 118.9° | 120.0° |
| CB | CG | CD1 | H7 | 3.0° | 39.3° |
| CB | CG | CD2 | H12 | 2.8° | 0.9° |
| CB | CA | C | N | 123.7° | 120.0° |
| CB | CA | C | HA | 117.3° | 120.0° |
| CB | CA | N | HA | 119.0° | 119.9° |
| CB | CA | C | O | 95.2° | 100.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H5 | H6 | 118.9° | 120.0° |
| CB | CA | C | OXT | 88.5° | 80.0° |
| C | CA | N | HA | 119.1° | 120.1° |
| CA | C | O | OXT | 175.8° | 180.0° |
| C | CA | N | H | 58.1° | 63.9° |
| C | CA | N | H2 | 61.9° | 60.0° |
| C | CA | CB | H5 | 45.8° | 65.0° |
| C | CA | CB | H6 | 73.5° | 55.0° |
| CA | C | OXT | HXT | 176.0° | 180.0° |
| N | CA | C | O | 28.4° | 20.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 169.3° | 55.1° |
| N | CA | CB | H6 | 50.0° | 175.0° |
| N | CA | C | OXT | 147.8° | 160.0° |
| O | C | CA | HA | 147.5° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H | N | CA | HA | 61.0° | 56.1° |
| H2 | N | CA | HA | 179.0° | 179.9° |
| HA | CA | CB | H5 | 71.6° | 175.0° |
| HA | CA | CB | H6 | 169.1° | 65.1° |
| HA | CA | C | OXT | 28.8° | 40.0° |
| H7 | CD1 | CE1 | H8 | 0.6° | 1.3° |
| H9 | CZ2 | CE2 | H10 | 55.5° | 3.5° |
| H9 | CZ2 | CE2 | H11 | 59.7° | 123.7° |
| H10 | CE2 | CD2 | H12 | 57.2° | 1.1° |
| H11 | CE2 | CD2 | H12 | 58.0° | 121.2° |
