WYK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NH1 | CZ | doub | 1.30Å | 1.24Å | |
| CZ | NH2 | sing | 1.37Å | 1.24Å | |
| CZ | NE | sing | 1.38Å | 1.45Å | |
| NE | CD | sing | 1.46Å | 1.45Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| CD | CG | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| OH | CG | sing | 1.43Å | 1.38Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| NE | HE | sing | 0.97Å | 1.00Å | |
| OH | H11 | sing | 0.97Å | 0.95Å | |
| NH1 | HH11 | sing | 0.97Å | 1.00Å | |
| NH2 | HH21 | sing | 0.97Å | 1.00Å | |
| NH2 | HH22 | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NH1 | CZ | NH2 | 119.2° | 120.0° |
| NH1 | CZ | NE | 118.6° | 120.0° |
| CZ | NH1 | HH11 | 112.0° | 120.0° |
| NH2 | CZ | NE | 122.2° | 120.0° |
| CZ | NH2 | HH21 | 120.0° | 119.9° |
| CZ | NH2 | HH22 | 120.0° | 120.0° |
| CZ | NE | CD | 125.2° | 120.0° |
| CZ | NE | HE | 117.3° | 120.0° |
| NE | CD | CG | 112.2° | 109.4° |
| NE | CD | HD2 | 108.8° | 109.4° |
| NE | CD | HD3 | 108.8° | 109.5° |
| CD | NE | HE | 117.4° | 120.0° |
| O | C | CA | 119.9° | 120.0° |
| O | C | OXT | 123.2° | 120.0° |
| C | CA | CB | 115.5° | 109.5° |
| C | CA | N | 106.1° | 109.5° |
| CA | C | OXT | 116.9° | 120.0° |
| C | CA | HA | 105.2° | 109.4° |
| CD | CG | CB | 109.7° | 109.5° |
| CD | CG | OH | 107.9° | 109.5° |
| CD | CG | HG2 | 108.7° | 109.5° |
| CG | CD | HD2 | 108.8° | 109.5° |
| CG | CD | HD3 | 108.8° | 109.5° |
| CA | CB | CG | 114.5° | 109.5° |
| CB | CA | N | 116.8° | 109.5° |
| CB | CA | HA | 105.8° | 109.5° |
| CA | CB | HB2 | 108.2° | 109.5° |
| CA | CB | HB3 | 108.2° | 109.5° |
| CB | CG | OH | 111.2° | 109.5° |
| CG | CB | HB2 | 108.2° | 109.5° |
| CG | CB | HB3 | 108.2° | 109.4° |
| CB | CG | HG2 | 108.6° | 109.4° |
| OH | CG | HG2 | 110.6° | 109.5° |
| CG | OH | H11 | 109.5° | 114.1° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 106.6° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.4° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| HH21 | NH2 | HH22 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NH1 | CZ | NH2 | NE | 179.8° | 179.9° |
| NH1 | CZ | NE | CD | 179.9° | 0.0° |
| NH1 | CZ | NE | HE | 0.1° | 180.0° |
| NH1 | CZ | NH2 | HH21 | 179.8° | 180.0° |
| NH1 | CZ | NH2 | HH22 | 0.2° | 0.1° |
| NH2 | CZ | NE | CD | 0.1° | 179.9° |
| NH2 | CZ | NE | HE | 179.9° | 0.0° |
| NH2 | CZ | NH1 | HH11 | 179.8° | 180.0° |
| CZ | NH2 | HH21 | HH22 | 180.0° | 179.9° |
| CZ | NE | CD | HE | 180.0° | 179.9° |
| CZ | NE | CD | CG | 88.7° | 180.0° |
| CZ | NE | CD | HD2 | 150.9° | 60.1° |
| CZ | NE | CD | HD3 | 31.7° | 60.0° |
| NE | CZ | NH1 | HH11 | 0.0° | 0.0° |
| NE | CZ | NH2 | HH21 | 0.0° | 0.1° |
| NE | CZ | NH2 | HH22 | 180.0° | 180.0° |
| NE | CD | CG | HD2 | 120.4° | 119.9° |
| NE | CD | CG | HD3 | 120.4° | 120.0° |
| NE | CD | CG | CB | 59.9° | 175.0° |
| NE | CD | CG | OH | 61.3° | 65.1° |
| NE | CD | CG | HG2 | 178.6° | 55.0° |
| NE | CD | HD2 | HD3 | 118.8° | 120.0° |
| O | C | CA | OXT | 179.7° | 179.9° |
| O | C | CA | CB | 90.1° | 99.9° |
| O | C | CA | N | 41.0° | 20.1° |
| O | C | CA | HA | 153.7° | 140.1° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | CB | N | 125.8° | 120.0° |
| C | CA | CB | HA | 115.9° | 120.0° |
| C | CA | CB | CG | 168.3° | 175.0° |
| C | CA | N | HA | 111.8° | 120.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | CB | HB2 | 71.0° | 65.0° |
| C | CA | CB | HB3 | 47.6° | 55.0° |
| CA | C | OXT | HXT | 179.6° | 180.0° |
| CD | CG | CB | CA | 163.9° | 175.0° |
| CD | CG | CB | OH | 119.3° | 120.0° |
| CD | CG | CB | HG2 | 118.7° | 120.0° |
| CD | CG | OH | HG2 | 118.9° | 120.0° |
| CD | CG | CB | HB2 | 75.4° | 55.0° |
| CD | CG | CB | HB3 | 43.1° | 65.0° |
| CG | CD | HD2 | HD3 | 118.8° | 120.0° |
| CG | CD | NE | HE | 91.3° | 0.1° |
| CD | CG | OH | H11 | 180.0° | 60.0° |
| CA | CB | CG | HB2 | 120.7° | 120.0° |
| CA | CB | CG | HB3 | 120.8° | 119.9° |
| CA | CB | CG | OH | 44.6° | 65.0° |
| CB | CA | N | HA | 117.9° | 120.0° |
| CB | CA | C | OXT | 89.6° | 80.0° |
| CB | CA | N | H | 49.7° | 60.0° |
| CB | CA | N | H2 | 169.7° | 64.0° |
| CA | CB | HB2 | HB3 | 117.7° | 120.0° |
| CA | CB | CG | HG2 | 77.4° | 55.0° |
| CB | CG | OH | HG2 | 120.8° | 120.0° |
| CG | CB | CA | N | 65.9° | 65.0° |
| CG | CB | CA | HA | 52.4° | 55.0° |
| CG | CB | HB2 | HB3 | 117.7° | 120.0° |
| CB | CG | CD | HD2 | 60.5° | 55.0° |
| CB | CG | CD | HD3 | 179.7° | 65.0° |
| CB | CG | OH | H11 | 59.7° | 60.0° |
| OH | CG | CB | HB2 | 165.3° | 175.0° |
| OH | CG | CB | HB3 | 76.2° | 55.0° |
| OH | CG | CD | HD2 | 178.3° | 175.0° |
| OH | CG | CD | HD3 | 59.0° | 54.9° |
| N | CA | C | OXT | 139.3° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 54.8° | 55.0° |
| N | CA | CB | HB3 | 173.3° | 175.0° |
| OXT | C | CA | HA | 26.6° | 40.0° |
| H | N | CA | HA | 68.2° | 180.0° |
| H2 | N | CA | HA | 51.8° | 56.0° |
| HA | CA | CB | HB2 | 173.1° | 175.0° |
| HA | CA | CB | HB3 | 68.3° | 64.9° |
| HB2 | CB | CG | HG2 | 43.3° | 65.0° |
| HB3 | CB | CG | HG2 | 161.8° | 175.0° |
| HG2 | CG | CD | HD2 | 58.2° | 64.9° |
| HG2 | CG | CD | HD3 | 61.0° | 175.0° |
| HG2 | CG | OH | H11 | 61.1° | 180.0° |
| HD2 | CD | NE | HE | 29.1° | 120.0° |
| HD3 | CD | NE | HE | 148.3° | 120.0° |
