4AK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CD | CE | sing | 1.53Å | 1.52Å | |
| CE | NZ | sing | 1.46Å | 1.45Å | |
| O4 | S1 | doub | 1.42Å | 1.48Å | |
| NZ | S1 | sing | 1.66Å | 1.61Å | |
| S1 | O3 | doub | 1.42Å | 1.48Å | |
| S1 | O2 | sing | 1.52Å | 1.48Å | |
| 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 | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| NZ | HZ1 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 119.6° | 120.0° |
| O | C | OXT | 114.2° | 120.0° |
| C | CA | N | 110.1° | 109.4° |
| C | CA | CB | 109.8° | 109.5° |
| C | CA | HA | 108.8° | 109.4° |
| CA | C | OXT | 124.4° | 120.0° |
| N | CA | CB | 110.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 109.0° | 109.5° |
| CA | CB | CG | 111.1° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | HB2 | 109.1° | 109.5° |
| CA | CB | HB3 | 109.1° | 109.5° |
| CB | CG | CD | 111.8° | 109.5° |
| CG | CB | HB2 | 109.0° | 109.5° |
| CG | CB | HB3 | 109.0° | 109.4° |
| CB | CG | HG2 | 108.9° | 109.5° |
| CB | CG | HG3 | 108.9° | 109.5° |
| CG | CD | CE | 111.4° | 109.5° |
| CD | CG | HG2 | 108.9° | 109.4° |
| CD | CG | HG3 | 108.9° | 109.4° |
| CG | CD | HD2 | 109.0° | 109.5° |
| CG | CD | HD3 | 109.0° | 109.5° |
| CD | CE | NZ | 112.4° | 109.5° |
| CE | CD | HD2 | 109.0° | 109.5° |
| CE | CD | HD3 | 109.0° | 109.4° |
| CD | CE | HE2 | 108.8° | 109.5° |
| CD | CE | HE3 | 108.7° | 109.5° |
| CE | NZ | S1 | 120.4° | 120.0° |
| NZ | CE | HE2 | 108.7° | 109.4° |
| NZ | CE | HE3 | 108.7° | 109.5° |
| CE | NZ | HZ1 | 106.6° | 120.0° |
| O4 | S1 | NZ | 109.3° | 106.4° |
| O4 | S1 | O3 | 109.0° | 123.2° |
| O4 | S1 | O2 | 109.7° | 106.4° |
| NZ | S1 | O3 | 109.6° | 106.4° |
| NZ | S1 | O2 | 110.3° | 107.3° |
| S1 | NZ | HZ1 | 106.7° | 120.0° |
| O3 | S1 | O2 | 109.0° | 106.4° |
| S1 | O2 | H1 | 109.5° | 114.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.4° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| HE2 | CE | HE3 | 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) |
| O | C | CA | OXT | 164.2° | 180.0° |
| O | C | CA | N | 43.6° | 20.1° |
| O | C | CA | CB | 78.4° | 100.0° |
| O | C | CA | HA | 163.0° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 121.5° | 120.0° |
| C | CA | N | HA | 119.3° | 120.0° |
| C | CA | CB | HA | 118.8° | 120.0° |
| C | CA | CB | CG | 57.2° | 175.0° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.1° |
| C | CA | CB | HB2 | 177.4° | 65.0° |
| C | CA | CB | HB3 | 63.0° | 55.0° |
| CA | C | OXT | HXT | 164.9° | 180.0° |
| N | CA | CB | HA | 119.5° | 120.0° |
| N | CA | CB | CG | 178.9° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 60.9° | 55.0° |
| N | CA | CB | HB3 | 58.6° | 175.0° |
| N | CA | C | OXT | 120.6° | 160.0° |
| CA | CB | CG | HB2 | 120.3° | 120.0° |
| CA | CB | CG | HB3 | 120.3° | 120.0° |
| CA | CB | CG | CD | 134.1° | 180.0° |
| CB | CA | N | H | 58.5° | 176.1° |
| CB | CA | N | H2 | 178.6° | 59.9° |
| CA | CB | HB2 | HB3 | 119.3° | 120.0° |
| CA | CB | CG | HG2 | 105.6° | 60.0° |
| CA | CB | CG | HG3 | 13.7° | 60.0° |
| CB | CA | C | OXT | 117.4° | 80.0° |
| CB | CG | CD | HG2 | 120.4° | 120.0° |
| CB | CG | CD | HG3 | 120.3° | 120.0° |
| CB | CG | CD | CE | 176.6° | 180.0° |
| CG | CB | CA | HA | 61.6° | 55.0° |
| CG | CB | HB2 | HB3 | 119.2° | 120.0° |
| CB | CG | HG2 | HG3 | 118.9° | 120.1° |
| CB | CG | CD | HD2 | 63.2° | 60.0° |
| CB | CG | CD | HD3 | 56.3° | 60.0° |
| CG | CD | CE | HD2 | 120.3° | 120.0° |
| CG | CD | CE | HD3 | 120.3° | 120.0° |
| CG | CD | CE | NZ | 117.1° | 180.0° |
| CD | CG | CB | HB2 | 13.8° | 60.0° |
| CD | CG | CB | HB3 | 105.7° | 60.0° |
| CD | CG | HG2 | HG3 | 118.9° | 120.0° |
| CG | CD | HD2 | HD3 | 119.1° | 120.0° |
| CG | CD | CE | HE2 | 122.5° | 60.0° |
| CG | CD | CE | HE3 | 3.3° | 60.0° |
| CD | CE | NZ | HE2 | 120.4° | 120.0° |
| CD | CE | NZ | HE3 | 120.4° | 120.0° |
| CD | CE | NZ | S1 | 163.2° | 165.0° |
| CE | CD | CG | HG2 | 56.2° | 60.0° |
| CE | CD | CG | HG3 | 63.1° | 60.0° |
| CE | CD | HD2 | HD3 | 119.1° | 120.0° |
| CD | CE | HE2 | HE3 | 118.7° | 120.0° |
| CD | CE | NZ | HZ1 | 75.3° | 15.0° |
| CE | NZ | S1 | O4 | 27.2° | 48.6° |
| CE | NZ | S1 | HZ1 | 121.5° | 179.9° |
| CE | NZ | S1 | O3 | 146.6° | 178.5° |
| CE | NZ | S1 | O2 | 93.5° | 65.0° |
| NZ | CE | CD | HD2 | 3.2° | 60.0° |
| NZ | CE | CD | HD3 | 122.6° | 60.0° |
| NZ | CE | HE2 | HE3 | 118.7° | 120.0° |
| O4 | S1 | NZ | O3 | 119.3° | 132.9° |
| O4 | S1 | NZ | O2 | 120.7° | 113.5° |
| O4 | S1 | O3 | O2 | 119.7° | 122.9° |
| O4 | S1 | NZ | HZ1 | 94.3° | 131.5° |
| O4 | S1 | O2 | H1 | 119.2° | 66.5° |
| NZ | S1 | O3 | O2 | 120.8° | 114.2° |
| S1 | NZ | CE | HE2 | 42.7° | 45.1° |
| S1 | NZ | CE | HE3 | 76.4° | 74.9° |
| NZ | S1 | O2 | H1 | 120.4° | 180.0° |
| O3 | S1 | NZ | HZ1 | 25.0° | 1.4° |
| O3 | S1 | O2 | H1 | 0.0° | 66.4° |
| O2 | S1 | NZ | HZ1 | 145.0° | 115.0° |
| H | N | CA | HA | 60.6° | 56.0° |
| H2 | N | CA | HA | 59.4° | 180.0° |
| HA | CA | CB | HB2 | 58.6° | 175.0° |
| HA | CA | CB | HB3 | 178.1° | 64.9° |
| HA | CA | C | OXT | 1.2° | 40.0° |
| HB2 | CB | CG | HG2 | 134.2° | 179.9° |
| HB2 | CB | CG | HG3 | 106.6° | 60.0° |
| HB3 | CB | CG | HG2 | 14.7° | 60.0° |
| HB3 | CB | CG | HG3 | 133.9° | 180.0° |
| HG2 | CG | CD | HD2 | 176.5° | 180.0° |
| HG2 | CG | CD | HD3 | 64.1° | 60.0° |
| HG3 | CG | CD | HD2 | 57.2° | 60.0° |
| HG3 | CG | CD | HD3 | 176.6° | 179.9° |
| HD2 | CD | CE | HE2 | 117.3° | 179.9° |
| HD2 | CD | CE | HE3 | 123.6° | 60.1° |
| HD3 | CD | CE | HE2 | 2.2° | 60.0° |
| HD3 | CD | CE | HE3 | 117.0° | 180.0° |
| HE2 | CE | NZ | HZ1 | 164.3° | 135.0° |
| HE3 | CE | NZ | HZ1 | 45.2° | 105.0° |
