9KK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| CD | CG | sing | 1.53Å | 1.60Å | |
| CD | CE | sing | 1.53Å | 1.49Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| N | CM | sing | 1.47Å | 1.46Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE1 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.4° | 120.0° |
| O | C | OXT | 121.7° | 120.0° |
| C | CA | CB | 110.1° | 109.5° |
| C | CA | N | 110.8° | 109.5° |
| CA | C | OXT | 117.7° | 120.0° |
| C | CA | HA | 108.2° | 109.5° |
| CG | CD | CE | 111.4° | 109.4° |
| CD | CG | CB | 112.6° | 109.5° |
| CG | CD | HD2 | 109.0° | 109.4° |
| CG | CD | HD3 | 109.0° | 109.5° |
| CD | CG | HG2 | 108.7° | 109.5° |
| CD | CG | HG3 | 108.7° | 109.5° |
| CD | CE | HE3 | 109.5° | 109.4° |
| CD | CE | HE2 | 109.5° | 109.4° |
| CD | CE | HE1 | 109.4° | 109.5° |
| CE | CD | HD2 | 109.0° | 109.5° |
| CE | CD | HD3 | 109.0° | 109.4° |
| CA | CB | CG | 120.7° | 109.5° |
| CB | CA | N | 111.0° | 109.4° |
| CA | CB | HB2 | 106.6° | 109.5° |
| CA | CB | HB3 | 106.6° | 109.5° |
| CB | CA | HA | 107.9° | 109.4° |
| CB | CG | HG2 | 108.7° | 109.5° |
| CB | CG | HG3 | 108.7° | 109.4° |
| CG | CB | HB2 | 106.6° | 109.5° |
| CG | CB | HB3 | 106.6° | 109.4° |
| CA | N | CM | 116.4° | 110.9° |
| CA | N | H | 107.7° | 111.0° |
| N | CA | HA | 108.8° | 109.5° |
| CM | N | H | 107.7° | 111.0° |
| N | CM | HM1 | 109.5° | 109.4° |
| N | CM | HM3 | 109.4° | 109.5° |
| N | CM | HM2 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| HE3 | CE | HE2 | 109.4° | 109.4° |
| HE3 | CE | HE1 | 109.4° | 109.5° |
| HE2 | CE | HE1 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.4° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HM1 | CM | HM3 | 109.5° | 109.5° |
| HM1 | CM | HM2 | 109.5° | 109.5° |
| HM3 | CM | HM2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 175.9° | 179.9° |
| O | C | CA | CB | 8.1° | 120.0° |
| O | C | CA | N | 115.1° | 0.1° |
| O | C | CA | HA | 125.7° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | CB | N | 123.1° | 120.0° |
| C | CA | CB | HA | 117.9° | 120.0° |
| C | CA | CB | CG | 171.5° | 175.0° |
| C | CA | N | HA | 118.9° | 120.1° |
| C | CA | N | CM | 43.3° | 85.0° |
| C | CA | N | H | 164.3° | 38.9° |
| C | CA | CB | HB2 | 66.9° | 55.0° |
| C | CA | CB | HB3 | 50.0° | 65.0° |
| CA | C | OXT | HXT | 175.9° | 180.0° |
| CG | CD | CE | HD2 | 120.3° | 120.0° |
| CG | CD | CE | HD3 | 120.3° | 120.0° |
| CD | CG | CB | CA | 171.0° | 180.0° |
| CD | CG | CB | HG2 | 120.5° | 120.0° |
| CD | CG | CB | HG3 | 120.5° | 120.0° |
| CG | CD | CE | HE3 | 180.0° | 180.0° |
| CG | CD | CE | HE2 | 60.0° | 60.0° |
| CG | CD | CE | HE1 | 60.0° | 59.9° |
| CG | CD | HD2 | HD3 | 119.1° | 120.0° |
| CD | CG | HG2 | HG3 | 118.6° | 120.0° |
| CD | CG | CB | HB2 | 67.4° | 59.9° |
| CD | CG | CB | HB3 | 49.5° | 60.0° |
| CE | CD | CG | CB | 167.5° | 180.0° |
| CD | CE | HE3 | HE2 | 120.0° | 119.9° |
| CD | CE | HE3 | HE1 | 120.0° | 120.1° |
| CD | CE | HE2 | HE1 | 120.0° | 120.0° |
| CE | CD | HD2 | HD3 | 119.2° | 120.0° |
| CE | CD | CG | HG2 | 47.0° | 60.0° |
| CE | CD | CG | HG3 | 72.0° | 60.0° |
| CA | CB | CG | HB2 | 121.6° | 120.1° |
| CA | CB | CG | HB3 | 121.6° | 120.0° |
| CB | CA | N | HA | 118.5° | 120.0° |
| CB | CA | N | CM | 79.3° | 155.0° |
| CB | CA | C | OXT | 167.9° | 60.0° |
| CB | CA | N | H | 41.7° | 81.1° |
| CA | CB | CG | HG2 | 68.5° | 60.0° |
| CA | CB | CG | HG3 | 50.5° | 60.0° |
| CA | CB | HB2 | HB3 | 115.0° | 120.0° |
| CG | CB | CA | N | 65.4° | 65.0° |
| CB | CG | CD | HD2 | 47.2° | 60.0° |
| CB | CG | CD | HD3 | 72.3° | 60.0° |
| CB | CG | HG2 | HG3 | 118.6° | 120.0° |
| CG | CB | HB2 | HB3 | 114.9° | 119.9° |
| CG | CB | CA | HA | 53.6° | 55.0° |
| CA | N | CM | H | 121.0° | 123.9° |
| N | CA | C | OXT | 69.0° | 180.0° |
| N | CA | CB | HB2 | 56.2° | 175.0° |
| N | CA | CB | HB3 | 173.1° | 55.0° |
| CA | N | CM | HM1 | 180.0° | 180.0° |
| CA | N | CM | HM3 | 60.0° | 60.0° |
| CA | N | CM | HM2 | 60.0° | 60.0° |
| CM | N | CA | HA | 162.2° | 35.1° |
| N | CM | HM1 | HM3 | 120.0° | 120.0° |
| N | CM | HM1 | HM2 | 120.0° | 120.0° |
| N | CM | HM3 | HM2 | 120.0° | 120.0° |
| OXT | C | CA | HA | 50.2° | 59.9° |
| H | N | CA | HA | 76.8° | 159.0° |
| H | N | CM | HM1 | 59.0° | 56.1° |
| H | N | CM | HM3 | 179.0° | 176.1° |
| H | N | CM | HM2 | 61.0° | 63.9° |
| HE3 | CE | HE2 | HE1 | 120.0° | 120.1° |
| HE3 | CE | CD | HD2 | 59.7° | 60.0° |
| HE3 | CE | CD | HD3 | 59.7° | 60.1° |
| HE2 | CE | CD | HD2 | 179.7° | 59.9° |
| HE2 | CE | CD | HD3 | 60.3° | 180.0° |
| HE1 | CE | CD | HD2 | 60.3° | 179.9° |
| HE1 | CE | CD | HD3 | 179.7° | 60.0° |
| HD2 | CD | CG | HG2 | 73.3° | 180.0° |
| HD2 | CD | CG | HG3 | 167.7° | 60.0° |
| HD3 | CD | CG | HG2 | 167.3° | 60.0° |
| HD3 | CD | CG | HG3 | 48.2° | 180.0° |
| HG2 | CG | CB | HB2 | 53.1° | 180.0° |
| HG2 | CG | CB | HB3 | 169.9° | 60.0° |
| HG3 | CG | CB | HB2 | 172.1° | 60.0° |
| HG3 | CG | CB | HB3 | 71.0° | 180.0° |
| HB2 | CB | CA | HA | 175.2° | 65.0° |
| HB3 | CB | CA | HA | 67.9° | 175.0° |
| HM1 | CM | HM3 | HM2 | 120.0° | 120.0° |
