A8E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.26Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.32Å | |
| N | CA | sing | 1.47Å | 1.51Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CG | BR | sing | 1.89Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.51Å | 1.54Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD1 | CG | doub | 1.31Å | 1.33Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1A | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | CA | 121.0° | 120.0° |
| OXT | C | O | 121.5° | 119.9° |
| C | OXT | HXT | 109.5° | 117.1° |
| CA | C | O | 117.5° | 120.0° |
| C | CA | N | 109.8° | 109.5° |
| C | CA | CB | 108.7° | 109.5° |
| C | CA | HA | 110.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 112.5° | 109.4° |
| N | CA | HA | 106.9° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| BR | CG | CB | 123.9° | 120.0° |
| BR | CG | CD1 | 123.3° | 120.0° |
| CB | CA | HA | 108.1° | 109.5° |
| CA | CB | CG | 121.7° | 109.5° |
| CA | CB | HB | 105.6° | 109.5° |
| CA | CB | HBA | 105.6° | 109.5° |
| CG | CB | HB | 105.6° | 109.5° |
| CG | CB | HBA | 105.6° | 109.5° |
| CB | CG | CD1 | 112.7° | 120.0° |
| HB | CB | HBA | 113.0° | 109.5° |
| CG | CD1 | HD1 | 120.0° | 120.0° |
| CG | CD1 | HD1A | 120.0° | 120.0° |
| HD1 | CD1 | HD1A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | O | 178.6° | 179.7° |
| OXT | C | CA | N | 69.9° | 159.7° |
| OXT | C | CA | CB | 53.6° | 80.3° |
| OXT | C | CA | HA | 172.2° | 39.7° |
| C | CA | N | CB | 121.2° | 120.0° |
| C | CA | N | HA | 120.3° | 120.1° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.1° |
| CA | C | OXT | HXT | 178.6° | 179.7° |
| C | CA | CB | HA | 120.4° | 120.0° |
| C | CA | CB | CG | 163.0° | 175.0° |
| C | CA | CB | HB | 77.0° | 65.0° |
| C | CA | CB | HBA | 43.0° | 55.0° |
| O | C | CA | N | 108.8° | 19.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | CA | CB | 127.8° | 100.0° |
| O | C | CA | HA | 9.2° | 140.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HA | 117.8° | 120.0° |
| N | CA | CB | CG | 75.2° | 65.0° |
| N | CA | CB | HB | 44.8° | 55.0° |
| N | CA | CB | HBA | 164.8° | 175.0° |
| H | N | CA | CB | 58.8° | 60.0° |
| H | N | CA | HA | 59.6° | 180.0° |
| H2 | N | CA | CB | 178.8° | 64.0° |
| H2 | N | CA | HA | 60.3° | 56.0° |
| BR | CG | CB | CA | 178.5° | 85.0° |
| BR | CG | CB | CD1 | 179.4° | 179.9° |
| BR | CG | CB | HB | 61.5° | 155.0° |
| BR | CG | CB | HBA | 58.5° | 35.0° |
| BR | CG | CD1 | HD1 | 179.4° | 0.1° |
| BR | CG | CD1 | HD1A | 0.6° | 180.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 115.0° | 120.0° |
| CA | CB | CG | CD1 | 2.1° | 95.1° |
| HA | CA | CB | CG | 42.6° | 55.0° |
| HA | CA | CB | HB | 162.6° | 175.0° |
| HA | CA | CB | HBA | 77.4° | 65.0° |
| CG | CB | HB | HBA | 114.9° | 120.0° |
| CB | CG | CD1 | HD1 | 0.0° | 180.0° |
| CB | CG | CD1 | HD1A | 180.0° | 0.1° |
| HB | CB | CG | CD1 | 117.9° | 25.0° |
| HBA | CB | CG | CD1 | 122.1° | 145.0° |
| CG | CD1 | HD1 | HD1A | 179.9° | 179.9° |
