B40
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CM | sing | 1.47Å | 1.48Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| C | CA | sing | 1.53Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| C | HC | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CB | HBB | sing | 1.09Å | 1.10Å | |
| CD2 | CG | doub | 1.38Å | 1.41Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.41Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | sing | 1.38Å | 1.41Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CZ | CE1 | sing | 1.38Å | 1.41Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | doub | 1.38Å | 1.41Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CM | HM | sing | 1.09Å | 1.10Å | |
| CM | HMA | sing | 1.09Å | 1.10Å | |
| CM | HMB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CM | N | CA | 111.3° | 111.0° |
| CM | N | HN | 108.8° | 111.0° |
| N | CM | HM | 109.5° | 109.5° |
| N | CM | HMA | 109.5° | 109.5° |
| N | CM | HMB | 109.4° | 109.5° |
| CA | N | HN | 108.9° | 111.0° |
| N | CA | C | 108.0° | 109.5° |
| N | CA | CB | 110.2° | 109.5° |
| N | CA | HA | 110.2° | 109.5° |
| C | CA | CB | 110.1° | 109.5° |
| C | CA | HA | 110.3° | 109.4° |
| CA | C | H | 109.5° | 109.5° |
| CA | C | HB | 109.5° | 109.5° |
| CA | C | HC | 109.5° | 109.5° |
| CB | CA | HA | 108.1° | 109.5° |
| CA | CB | CG | 112.6° | 109.5° |
| CA | CB | HBA | 108.4° | 109.5° |
| CA | CB | HBB | 107.8° | 109.5° |
| H | C | HB | 109.5° | 109.5° |
| H | C | HC | 109.5° | 109.4° |
| HB | C | HC | 109.5° | 109.4° |
| CG | CB | HBA | 108.5° | 109.4° |
| CG | CB | HBB | 107.7° | 109.5° |
| CB | CG | CD2 | 120.0° | 120.0° |
| CB | CG | CD1 | 120.3° | 120.0° |
| HBA | CB | HBB | 111.9° | 109.5° |
| CD2 | CG | CD1 | 119.7° | 120.0° |
| CG | CD2 | CE2 | 120.3° | 120.0° |
| CG | CD2 | HD2 | 119.8° | 120.0° |
| CG | CD1 | CE1 | 120.0° | 120.0° |
| CG | CD1 | HD1 | 120.0° | 120.0° |
| CE1 | CD1 | HD1 | 120.0° | 120.0° |
| CD1 | CE1 | CZ | 120.3° | 120.0° |
| CD1 | CE1 | HE1 | 119.9° | 120.0° |
| CE2 | CD2 | HD2 | 119.8° | 119.9° |
| CD2 | CE2 | CZ | 119.9° | 120.0° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CZ | CE1 | HE1 | 119.9° | 120.0° |
| CE1 | CZ | CE2 | 119.9° | 120.0° |
| CE1 | CZ | HZ | 120.1° | 120.0° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CE2 | CZ | HZ | 120.0° | 120.0° |
| HM | CM | HMA | 109.5° | 109.4° |
| HM | CM | HMB | 109.4° | 109.5° |
| HMA | CM | HMB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CM | N | CA | HN | 120.0° | 124.0° |
| CM | N | CA | C | 167.9° | 85.0° |
| CM | N | CA | CB | 71.8° | 155.0° |
| CM | N | CA | HA | 47.4° | 35.0° |
| N | CM | HM | HMA | 120.0° | 120.0° |
| N | CM | HM | HMB | 120.0° | 120.0° |
| N | CM | HMA | HMB | 120.0° | 120.1° |
| N | CA | C | CB | 120.4° | 120.0° |
| N | CA | C | HA | 120.5° | 120.0° |
| N | CA | CB | HA | 120.4° | 120.0° |
| N | CA | C | H | 89.1° | 180.0° |
| N | CA | C | HB | 30.9° | 60.0° |
| N | CA | C | HC | 150.9° | 60.0° |
| N | CA | CB | CG | 171.7° | 65.0° |
| N | CA | CB | HBA | 68.2° | 175.0° |
| N | CA | CB | HBB | 53.1° | 55.0° |
| CA | N | CM | HM | 82.8° | 60.0° |
| CA | N | CM | HMA | 157.2° | 60.0° |
| CA | N | CM | HMB | 37.2° | 180.0° |
| HN | N | CA | C | 47.9° | 39.0° |
| HN | N | CA | CB | 168.3° | 81.0° |
| HN | N | CA | HA | 72.6° | 159.0° |
| HN | N | CM | HM | 157.3° | 64.0° |
| HN | N | CM | HMA | 37.2° | 176.0° |
| HN | N | CM | HMB | 82.8° | 56.0° |
| C | CA | CB | HA | 120.5° | 120.0° |
| CA | C | H | HB | 120.0° | 120.0° |
| CA | C | H | HC | 120.0° | 120.0° |
| CA | C | HB | HC | 120.0° | 120.0° |
| C | CA | CB | CG | 69.2° | 175.0° |
| C | CA | CB | HBA | 50.8° | 55.0° |
| C | CA | CB | HBB | 172.1° | 65.0° |
| CB | CA | C | H | 150.5° | 60.0° |
| CB | CA | C | HB | 89.5° | 180.0° |
| CB | CA | C | HC | 30.5° | 60.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | CG | HBB | 118.7° | 120.0° |
| CA | CB | HBA | HBB | 118.7° | 120.0° |
| CA | CB | CG | CD2 | 78.6° | 90.3° |
| CA | CB | CG | CD1 | 102.1° | 90.0° |
| HA | CA | C | H | 31.3° | 60.0° |
| HA | CA | C | HB | 151.3° | 60.0° |
| HA | CA | C | HC | 88.7° | 180.0° |
| HA | CA | CB | CG | 51.3° | 55.0° |
| HA | CA | CB | HBA | 171.3° | 65.0° |
| HA | CA | CB | HBB | 67.4° | 175.0° |
| H | C | HB | HC | 120.0° | 119.9° |
| CG | CB | HBA | HBB | 118.7° | 120.0° |
| CB | CG | CD2 | CD1 | 179.3° | 179.7° |
| CB | CG | CD1 | CE1 | 179.6° | 180.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.0° |
| CB | CG | CD2 | CE2 | 179.6° | 180.0° |
| CB | CG | CD2 | HD2 | 0.4° | 0.0° |
| HBA | CB | CG | CD2 | 161.4° | 149.7° |
| HBA | CB | CG | CD1 | 17.9° | 30.0° |
| HBB | CB | CG | CD2 | 40.1° | 29.7° |
| HBB | CB | CG | CD1 | 139.2° | 150.0° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.7° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CG | CD2 | CE2 | HE2 | 179.9° | 180.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.8° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.3° |
| CD1 | CE1 | CZ | HZ | 180.0° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| CD2 | CE2 | CZ | CE1 | 0.1° | 0.3° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | HZ | 180.0° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.9° | 180.0° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 179.9° | 179.7° |
| HE1 | CE1 | CZ | CE2 | 180.0° | 179.7° |
| HE1 | CE1 | CZ | HZ | 0.0° | 0.0° |
| HE2 | CE2 | CZ | HZ | 0.0° | 0.0° |
| HM | CM | HMA | HMB | 120.0° | 120.0° |
