JKH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG | NG2 | sing | 1.47Å | 1.48Å | |
| CG | CB | sing | 1.55Å | 1.54Å | |
| CG | CD | sing | 1.54Å | 1.54Å | |
| CB | CA | sing | 1.55Å | 1.55Å | |
| CD | N | sing | 1.47Å | 1.48Å | |
| CA | N | sing | 1.48Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| NG2 | HG22 | sing | 1.01Å | 1.00Å | |
| NG2 | HG21 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| NG2 | HG23 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NG2 | CG | CB | 110.4° | 110.7° |
| NG2 | CG | CD | 112.9° | 110.7° |
| NG2 | CG | HG | 111.1° | 110.6° |
| CG | NG2 | HG22 | 109.5° | 109.5° |
| CG | NG2 | HG21 | 109.5° | 109.4° |
| CG | NG2 | HG23 | 109.5° | 109.5° |
| CB | CG | CD | 101.5° | 103.0° |
| CG | CB | CA | 107.0° | 101.7° |
| CG | CB | HB3 | 110.1° | 111.0° |
| CG | CB | HB2 | 110.1° | 111.0° |
| CB | CG | HG | 110.3° | 110.7° |
| CG | CD | N | 105.9° | 107.2° |
| CG | CD | HD2 | 110.4° | 109.9° |
| CG | CD | HD3 | 110.3° | 110.0° |
| CD | CG | HG | 110.3° | 110.9° |
| CB | CA | N | 100.5° | 104.8° |
| CB | CA | C | 115.4° | 110.4° |
| CB | CA | HA | 109.7° | 110.5° |
| CA | CB | HB3 | 110.1° | 111.0° |
| CA | CB | HB2 | 110.1° | 111.0° |
| CD | N | CA | 112.7° | 108.6° |
| CD | N | H | 108.6° | 111.0° |
| N | CD | HD2 | 110.4° | 109.9° |
| N | CD | HD3 | 110.4° | 109.9° |
| N | CA | C | 111.0° | 110.3° |
| CA | N | H | 108.7° | 111.0° |
| N | CA | HA | 110.6° | 110.3° |
| CA | C | O | 121.2° | 120.0° |
| CA | C | OXT | 116.8° | 120.0° |
| C | CA | HA | 109.4° | 110.3° |
| O | C | OXT | 122.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HD2 | CD | HD3 | 109.4° | 109.9° |
| HB3 | CB | HB2 | 109.5° | 110.8° |
| HG22 | NG2 | HG21 | 109.5° | 109.4° |
| HG22 | NG2 | HG23 | 109.5° | 109.5° |
| HG21 | NG2 | HG23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NG2 | CG | CB | CD | 119.9° | 118.4° |
| NG2 | CG | CB | HG | 123.2° | 123.0° |
| NG2 | CG | CD | HG | 124.9° | 123.2° |
| NG2 | CG | CB | CA | 84.9° | 154.0° |
| NG2 | CG | CD | N | 95.1° | 140.6° |
| NG2 | CG | CD | HD2 | 24.4° | 100.0° |
| NG2 | CG | CD | HD3 | 145.5° | 21.2° |
| NG2 | CG | CB | HB3 | 155.5° | 35.9° |
| NG2 | CG | CB | HB2 | 34.7° | 87.9° |
| CG | NG2 | HG22 | HG21 | 120.0° | 120.0° |
| CG | NG2 | HG22 | HG23 | 120.0° | 120.1° |
| CG | NG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG | CD | HG | 116.9° | 118.5° |
| CG | CB | CA | HB3 | 119.6° | 118.2° |
| CG | CB | CA | HB2 | 119.6° | 118.1° |
| CB | CG | CD | N | 23.1° | 22.3° |
| CG | CB | CA | N | 32.7° | 37.1° |
| CG | CB | CA | C | 86.7° | 155.9° |
| CG | CB | CA | HA | 149.2° | 81.8° |
| CB | CG | CD | HD2 | 142.6° | 141.7° |
| CB | CG | CD | HD3 | 96.4° | 97.1° |
| CG | CB | HB3 | HB2 | 121.1° | 123.9° |
| CB | CG | NG2 | HG22 | 180.0° | 60.0° |
| CB | CG | NG2 | HG21 | 60.0° | 180.0° |
| CB | CG | NG2 | HG23 | 60.0° | 60.0° |
| CD | CG | CB | CA | 35.0° | 35.7° |
| CG | CD | N | HD2 | 119.5° | 119.4° |
| CG | CD | N | HD3 | 119.4° | 119.5° |
| CG | CD | N | CA | 3.3° | 1.0° |
| CG | CD | N | H | 117.2° | 121.3° |
| CG | CD | HD2 | HD3 | 121.6° | 121.2° |
| CD | CG | CB | HB3 | 84.6° | 82.5° |
| CD | CG | CB | HB2 | 154.7° | 153.8° |
| CD | CG | NG2 | HG22 | 67.2° | 173.6° |
| CD | CG | NG2 | HG21 | 52.8° | 66.4° |
| CD | CG | NG2 | HG23 | 172.8° | 53.6° |
| CB | CA | N | CD | 17.9° | 24.1° |
| CB | CA | N | C | 122.6° | 118.9° |
| CB | CA | N | HA | 115.8° | 118.9° |
| CB | CA | C | HA | 124.2° | 122.4° |
| CB | CA | C | O | 4.1° | 97.0° |
| CB | CA | C | OXT | 175.4° | 83.2° |
| CB | CA | N | H | 138.3° | 98.2° |
| CA | CB | HB3 | HB2 | 121.2° | 123.8° |
| CA | CB | CG | HG | 151.9° | 82.9° |
| CD | N | CA | H | 120.5° | 122.3° |
| CD | N | CA | C | 104.7° | 142.9° |
| CD | N | CA | HA | 133.7° | 94.8° |
| N | CD | HD2 | HD3 | 121.6° | 121.1° |
| N | CD | CG | HG | 140.0° | 96.2° |
| N | CA | C | HA | 122.3° | 122.2° |
| N | CA | C | O | 109.4° | 18.4° |
| N | CA | C | OXT | 71.1° | 161.5° |
| CA | N | CD | HD2 | 122.7° | 118.4° |
| CA | N | CD | HD3 | 116.2° | 120.5° |
| N | CA | CB | HB3 | 86.9° | 81.1° |
| N | CA | CB | HB2 | 152.4° | 155.2° |
| CA | C | O | OXT | 179.4° | 179.8° |
| C | CA | N | H | 15.7° | 20.7° |
| C | CA | CB | HB3 | 153.7° | 37.7° |
| C | CA | CB | HB2 | 32.9° | 86.0° |
| CA | C | OXT | HXT | 179.4° | 179.9° |
| O | C | CA | HA | 128.3° | 140.6° |
| O | C | OXT | HXT | 0.0° | 0.2° |
| OXT | C | CA | HA | 51.2° | 39.3° |
| H | N | CA | HA | 105.9° | 142.9° |
| H | N | CD | HD2 | 2.3° | 119.3° |
| H | N | CD | HD3 | 123.3° | 1.8° |
| HA | CA | CB | HB3 | 29.6° | 160.1° |
| HA | CA | CB | HB2 | 91.2° | 36.4° |
| HD2 | CD | CG | HG | 100.5° | 23.2° |
| HD3 | CD | CG | HG | 20.5° | 144.4° |
| HB3 | CB | CG | HG | 32.3° | 158.9° |
| HB2 | CB | CG | HG | 88.5° | 35.2° |
| HG | CG | NG2 | HG22 | 57.2° | 63.0° |
| HG | CG | NG2 | HG21 | 177.2° | 56.9° |
| HG | CG | NG2 | HG23 | 62.8° | 176.9° |
| HG22 | NG2 | HG21 | HG23 | 120.0° | 120.0° |
