KCX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | CE | sing | 1.53Å | 1.54Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | NZ | sing | 1.47Å | 1.46Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| NZ | CX | sing | 1.35Å | 1.33Å | |
| NZ | HZ | sing | 0.97Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CX | OQ1 | doub | 1.22Å | 1.25Å | |
| CX | OQ2 | sing | 1.35Å | 1.23Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| OQ2 | HQ2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | CB | 110.5° | 109.4° |
| N | CA | C | 115.1° | 109.5° |
| N | CA | HA | 104.3° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | C | 107.9° | 109.5° |
| CB | CA | HA | 112.0° | 109.5° |
| CA | CB | CG | 113.9° | 109.5° |
| CA | CB | HB2 | 108.0° | 109.5° |
| CA | CB | HB3 | 108.0° | 109.4° |
| C | CA | HA | 107.1° | 109.5° |
| CA | C | O | 121.2° | 120.0° |
| CA | C | OXT | 115.0° | 120.0° |
| CG | CB | HB2 | 108.0° | 109.5° |
| CG | CB | HB3 | 108.0° | 109.5° |
| CB | CG | CD | 113.0° | 109.5° |
| CB | CG | HG2 | 108.3° | 109.4° |
| CB | CG | HG3 | 108.3° | 109.5° |
| HB2 | CB | HB3 | 110.8° | 109.5° |
| CD | CG | HG2 | 108.3° | 109.5° |
| CD | CG | HG3 | 108.3° | 109.5° |
| CG | CD | CE | 113.9° | 109.5° |
| CG | CD | HD2 | 108.0° | 109.5° |
| CG | CD | HD3 | 108.0° | 109.5° |
| HG2 | CG | HG3 | 110.6° | 109.5° |
| CE | CD | HD2 | 108.0° | 109.4° |
| CE | CD | HD3 | 108.0° | 109.5° |
| CD | CE | NZ | 112.8° | 109.5° |
| CD | CE | HE2 | 108.4° | 109.5° |
| CD | CE | HE3 | 108.4° | 109.5° |
| HD2 | CD | HD3 | 110.9° | 109.4° |
| NZ | CE | HE2 | 108.4° | 109.4° |
| NZ | CE | HE3 | 108.4° | 109.5° |
| CE | NZ | CX | 124.7° | 120.0° |
| CE | NZ | HZ | 117.7° | 120.0° |
| HE2 | CE | HE3 | 110.5° | 109.5° |
| CX | NZ | HZ | 117.6° | 120.0° |
| NZ | CX | OQ1 | 122.2° | 120.0° |
| NZ | CX | OQ2 | 120.1° | 120.0° |
| O | C | OXT | 123.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| OQ1 | CX | OQ2 | 117.6° | 120.0° |
| CX | OQ2 | HQ2 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | C | 126.6° | 120.0° |
| N | CA | CB | HA | 115.8° | 120.0° |
| N | CA | C | HA | 115.4° | 120.0° |
| N | CA | CB | CG | 67.5° | 65.0° |
| N | CA | CB | HB2 | 172.5° | 55.0° |
| N | CA | CB | HB3 | 52.5° | 175.0° |
| N | CA | C | O | 26.7° | 20.0° |
| N | CA | C | OXT | 152.6° | 160.0° |
| H | N | CA | CB | 180.0° | 60.0° |
| H | N | CA | C | 57.5° | 60.0° |
| H | N | CA | HA | 59.5° | 180.0° |
| H2 | N | CA | CB | 60.0° | 64.0° |
| H2 | N | CA | C | 62.5° | 176.1° |
| H2 | N | CA | HA | 179.5° | 56.0° |
| CB | CA | C | HA | 120.7° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 118.2° | 120.0° |
| CA | CB | CG | CD | 173.7° | 180.0° |
| CA | CB | CG | HG2 | 53.7° | 60.0° |
| CA | CB | CG | HG3 | 66.3° | 60.0° |
| CB | CA | C | O | 97.1° | 100.0° |
| CB | CA | C | OXT | 83.5° | 80.0° |
| C | CA | CB | CG | 59.1° | 175.0° |
| C | CA | CB | HB2 | 60.9° | 65.0° |
| C | CA | CB | HB3 | 179.1° | 55.0° |
| CA | C | O | OXT | 179.3° | 180.0° |
| CA | C | OXT | HXT | 179.3° | 180.0° |
| HA | CA | CB | CG | 176.7° | 55.0° |
| HA | CA | CB | HB2 | 56.7° | 175.0° |
| HA | CA | CB | HB3 | 63.2° | 65.0° |
| HA | CA | C | O | 142.2° | 140.0° |
| HA | CA | C | OXT | 37.2° | 40.0° |
| CG | CB | HB2 | HB3 | 118.2° | 120.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | CD | HG3 | 120.0° | 120.0° |
| CB | CG | HG2 | HG3 | 118.6° | 120.0° |
| CB | CG | CD | CE | 71.1° | 180.0° |
| CB | CG | CD | HD2 | 48.9° | 60.0° |
| CB | CG | CD | HD3 | 168.9° | 60.0° |
| HB2 | CB | CG | CD | 66.3° | 60.0° |
| HB2 | CB | CG | HG2 | 173.7° | 180.0° |
| HB2 | CB | CG | HG3 | 53.7° | 60.0° |
| HB3 | CB | CG | CD | 53.7° | 60.0° |
| HB3 | CB | CG | HG2 | 66.3° | 60.0° |
| HB3 | CB | CG | HG3 | 173.7° | 180.0° |
| CD | CG | HG2 | HG3 | 118.5° | 120.0° |
| CG | CD | CE | HD2 | 120.0° | 120.0° |
| CG | CD | CE | HD3 | 120.0° | 120.1° |
| CG | CD | HD2 | HD3 | 118.2° | 120.1° |
| CG | CD | CE | NZ | 58.2° | 180.0° |
| CG | CD | CE | HE2 | 61.8° | 60.0° |
| CG | CD | CE | HE3 | 178.2° | 60.0° |
| HG2 | CG | CD | CE | 168.9° | 60.1° |
| HG2 | CG | CD | HD2 | 71.1° | 180.0° |
| HG2 | CG | CD | HD3 | 48.9° | 60.0° |
| HG3 | CG | CD | CE | 48.9° | 60.0° |
| HG3 | CG | CD | HD2 | 168.9° | 60.0° |
| HG3 | CG | CD | HD3 | 71.1° | 180.0° |
| CE | CD | HD2 | HD3 | 118.2° | 119.9° |
| CD | CE | NZ | HE2 | 120.0° | 119.9° |
| CD | CE | NZ | HE3 | 120.0° | 120.1° |
| CD | CE | HE2 | HE3 | 118.6° | 120.0° |
| CD | CE | NZ | CX | 80.6° | 180.0° |
| CD | CE | NZ | HZ | 99.4° | 0.1° |
| HD2 | CD | CE | NZ | 178.2° | 60.0° |
| HD2 | CD | CE | HE2 | 58.2° | 179.9° |
| HD2 | CD | CE | HE3 | 61.8° | 60.1° |
| HD3 | CD | CE | NZ | 61.8° | 59.9° |
| HD3 | CD | CE | HE2 | 178.2° | 60.0° |
| HD3 | CD | CE | HE3 | 58.2° | 180.0° |
| NZ | CE | HE2 | HE3 | 118.6° | 120.0° |
| CE | NZ | CX | HZ | 180.0° | 179.9° |
| CE | NZ | CX | OQ1 | 13.6° | 0.1° |
| CE | NZ | CX | OQ2 | 169.6° | 180.0° |
| HE2 | CE | NZ | CX | 159.4° | 60.1° |
| HE2 | CE | NZ | HZ | 20.6° | 120.0° |
| HE3 | CE | NZ | CX | 39.4° | 59.9° |
| HE3 | CE | NZ | HZ | 140.6° | 120.0° |
| NZ | CX | OQ1 | OQ2 | 176.8° | 180.0° |
| NZ | CX | OQ2 | HQ2 | 176.9° | 179.9° |
| HZ | NZ | CX | OQ1 | 166.4° | 180.0° |
| HZ | NZ | CX | OQ2 | 10.4° | 0.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OQ1 | CX | OQ2 | HQ2 | 0.0° | 0.0° |
