E9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| N | CN2 | sing | 1.47Å | 1.47Å | |
| CE3 | CZ3 | doub | 1.37Å | 1.38Å | Aromatic |
| CE3 | CD2 | sing | 1.40Å | 1.40Å | Aromatic |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CZ3 | CH2 | sing | 1.39Å | 1.40Å | Aromatic |
| CD2 | CG | sing | 1.47Å | 1.43Å | Aromatic |
| CD2 | CE2 | doub | 1.41Å | 1.41Å | Aromatic |
| CG | CD1 | doub | 1.34Å | 1.37Å | Aromatic |
| CH2 | CZ2 | doub | 1.38Å | 1.37Å | Aromatic |
| CE2 | CZ2 | sing | 1.39Å | 1.39Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.37Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.37Å | Aromatic |
| C | OXT | sing | 1.34Å | 1.37Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CN2 | HN3 | sing | 1.09Å | 1.10Å | |
| CN2 | HN1 | sing | 1.09Å | 1.10Å | |
| CN2 | HN2 | 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) |
| CA | C | O | 120.7° | 120.0° |
| C | CA | N | 110.8° | 109.4° |
| C | CA | CB | 110.0° | 109.5° |
| CA | C | OXT | 114.4° | 120.0° |
| C | CA | HA | 108.3° | 109.4° |
| O | C | OXT | 119.9° | 120.0° |
| N | CA | CB | 110.3° | 109.5° |
| CA | N | CN2 | 119.3° | 111.0° |
| CA | N | H | 107.0° | 111.0° |
| N | CA | HA | 109.1° | 109.5° |
| CA | CB | CG | 113.4° | 109.5° |
| CB | CA | HA | 108.3° | 109.5° |
| CA | CB | HB3 | 108.5° | 109.4° |
| CA | CB | HB2 | 108.5° | 109.5° |
| CN2 | N | H | 106.9° | 111.0° |
| N | CN2 | HN3 | 109.5° | 109.5° |
| N | CN2 | HN1 | 109.4° | 109.4° |
| N | CN2 | HN2 | 109.5° | 109.4° |
| CZ3 | CE3 | CD2 | 118.7° | 119.8° |
| CE3 | CZ3 | CH2 | 121.2° | 120.5° |
| CZ3 | CE3 | HE3 | 120.6° | 120.1° |
| CE3 | CZ3 | HZ3 | 119.4° | 119.7° |
| CE3 | CD2 | CG | 134.0° | 134.0° |
| CE3 | CD2 | CE2 | 118.9° | 119.9° |
| CD2 | CE3 | HE3 | 120.6° | 120.1° |
| CB | CG | CD2 | 126.7° | 126.5° |
| CB | CG | CD1 | 126.9° | 126.5° |
| CG | CB | HB3 | 108.5° | 109.5° |
| CG | CB | HB2 | 108.5° | 109.5° |
| CZ3 | CH2 | CZ2 | 121.3° | 120.7° |
| CH2 | CZ3 | HZ3 | 119.4° | 119.7° |
| CZ3 | CH2 | HH2 | 119.3° | 119.6° |
| CG | CD2 | CE2 | 107.2° | 106.0° |
| CD2 | CG | CD1 | 106.3° | 107.0° |
| CD2 | CE2 | CZ2 | 122.3° | 119.3° |
| CD2 | CE2 | NE1 | 107.5° | 107.2° |
| CG | CD1 | NE1 | 110.0° | 109.9° |
| CG | CD1 | HD1 | 125.0° | 125.0° |
| CH2 | CZ2 | CE2 | 117.6° | 119.8° |
| CH2 | CZ2 | HZ2 | 121.2° | 120.1° |
| CZ2 | CH2 | HH2 | 119.3° | 119.7° |
| CZ2 | CE2 | NE1 | 130.1° | 133.5° |
| CE2 | CZ2 | HZ2 | 121.2° | 120.1° |
| CE2 | NE1 | CD1 | 108.9° | 109.8° |
| CE2 | NE1 | HE1 | 125.5° | 125.1° |
| NE1 | CD1 | HD1 | 125.0° | 125.0° |
| CD1 | NE1 | HE1 | 125.5° | 125.1° |
| C | OXT | HXT | 109.5° | 116.9° |
| HB3 | CB | HB2 | 109.5° | 109.5° |
| HN3 | CN2 | HN1 | 109.5° | 109.5° |
| HN3 | CN2 | HN2 | 109.5° | 109.5° |
| HN1 | CN2 | HN2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 153.5° | 180.0° |
| C | CA | N | CB | 122.1° | 120.0° |
| C | CA | N | HA | 119.1° | 119.9° |
| C | CA | CB | HA | 118.1° | 119.9° |
| C | CA | N | CN2 | 38.1° | 82.1° |
| C | CA | CB | CG | 156.4° | 174.4° |
| C | CA | N | H | 159.5° | 41.9° |
| C | CA | CB | HB3 | 35.8° | 65.7° |
| C | CA | CB | HB2 | 83.0° | 54.3° |
| CA | C | OXT | HXT | 155.1° | 180.0° |
| O | C | CA | N | 68.9° | 26.0° |
| O | C | CA | CB | 53.3° | 94.0° |
| O | C | CA | HA | 171.4° | 146.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| N | CA | CB | HA | 119.3° | 120.0° |
| CA | N | CN2 | H | 121.4° | 124.0° |
| N | CA | CB | CG | 33.9° | 65.6° |
| N | CA | C | OXT | 85.9° | 154.0° |
| N | CA | CB | HB3 | 86.7° | 54.4° |
| N | CA | CB | HB2 | 154.4° | 174.3° |
| CA | N | CN2 | HN3 | 180.0° | 175.2° |
| CA | N | CN2 | HN1 | 60.0° | 64.8° |
| CA | N | CN2 | HN2 | 60.0° | 55.1° |
| CB | CA | N | CN2 | 83.9° | 157.8° |
| CA | CB | CG | HB3 | 120.6° | 119.9° |
| CA | CB | CG | HB2 | 120.6° | 120.0° |
| CA | CB | CG | CD2 | 102.0° | 85.6° |
| CA | CB | CG | CD1 | 77.8° | 94.1° |
| CB | CA | C | OXT | 151.8° | 85.9° |
| CB | CA | N | H | 37.5° | 78.2° |
| CA | CB | HB3 | HB2 | 118.2° | 119.9° |
| CN2 | N | CA | HA | 157.3° | 37.8° |
| N | CN2 | HN3 | HN1 | 120.0° | 120.0° |
| N | CN2 | HN3 | HN2 | 120.0° | 120.0° |
| N | CN2 | HN1 | HN2 | 120.0° | 119.9° |
| CZ3 | CE3 | CD2 | HE3 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 180.0° |
| CZ3 | CE3 | CD2 | CG | 179.9° | 180.0° |
| CZ3 | CE3 | CD2 | CE2 | 0.1° | 0.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.1° | 0.1° |
| CE3 | CZ3 | CH2 | HH2 | 179.9° | 180.0° |
| CE3 | CD2 | CG | CB | 0.3° | 0.2° |
| CD2 | CE3 | CZ3 | CH2 | 0.1° | 0.0° |
| CE3 | CD2 | CG | CE2 | 179.8° | 180.0° |
| CE3 | CD2 | CG | CD1 | 179.9° | 180.0° |
| CE3 | CD2 | CE2 | CZ2 | 0.1° | 0.0° |
| CE3 | CD2 | CE2 | NE1 | 179.9° | 180.0° |
| CD2 | CE3 | CZ3 | HZ3 | 179.9° | 180.0° |
| CB | CG | CD2 | CD1 | 179.8° | 179.8° |
| CB | CG | CD2 | CE2 | 179.9° | 179.7° |
| CB | CG | CD1 | NE1 | 179.9° | 179.8° |
| CG | CB | CA | HA | 85.5° | 54.4° |
| CB | CG | CD1 | HD1 | 0.1° | 0.3° |
| CG | CB | HB3 | HB2 | 118.2° | 120.1° |
| CZ3 | CH2 | CZ2 | HH2 | 180.0° | 180.0° |
| CZ3 | CH2 | CZ2 | CE2 | 0.1° | 0.1° |
| CH2 | CZ3 | CE3 | HE3 | 179.9° | 180.0° |
| CZ3 | CH2 | CZ2 | HZ2 | 179.9° | 180.0° |
| CG | CD2 | CE2 | CZ2 | 179.9° | 180.0° |
| CG | CD2 | CE2 | NE1 | 0.1° | 0.1° |
| CD2 | CG | CD1 | NE1 | 0.1° | 0.0° |
| CD2 | CG | CD1 | HD1 | 179.9° | 179.9° |
| CD2 | CG | CB | HB3 | 137.5° | 34.3° |
| CD2 | CG | CB | HB2 | 18.6° | 154.4° |
| CG | CD2 | CE3 | HE3 | 0.2° | 0.0° |
| CE2 | CD2 | CG | CD1 | 0.1° | 0.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.1° | 0.1° |
| CD2 | CE2 | CZ2 | NE1 | 180.0° | 179.9° |
| CD2 | CE2 | NE1 | CD1 | 0.1° | 0.1° |
| CE2 | CD2 | CE3 | HE3 | 179.9° | 180.0° |
| CD2 | CE2 | NE1 | HE1 | 179.9° | 180.0° |
| CD2 | CE2 | CZ2 | HZ2 | 179.9° | 180.0° |
| CG | CD1 | NE1 | CE2 | 0.0° | 0.0° |
| CG | CD1 | NE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CB | HB3 | 42.7° | 145.9° |
| CD1 | CG | CB | HB2 | 161.6° | 25.9° |
| CG | CD1 | NE1 | HE1 | 180.0° | 180.0° |
| CH2 | CZ2 | CE2 | HZ2 | 180.0° | 179.9° |
| CH2 | CZ2 | CE2 | NE1 | 179.9° | 180.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.9° | 179.9° |
| CZ2 | CE2 | NE1 | CD1 | 180.0° | 180.0° |
| CZ2 | CE2 | NE1 | HE1 | 0.0° | 0.0° |
| CE2 | CZ2 | CH2 | HH2 | 180.0° | 179.9° |
| CE2 | NE1 | CD1 | HE1 | 180.0° | 180.0° |
| CE2 | NE1 | CD1 | HD1 | 180.0° | 180.0° |
| NE1 | CE2 | CZ2 | HZ2 | 0.1° | 0.1° |
| OXT | C | CA | HA | 33.7° | 34.1° |
| H | N | CA | HA | 81.4° | 161.8° |
| H | N | CN2 | HN3 | 58.6° | 51.2° |
| H | N | CN2 | HN1 | 178.6° | 171.2° |
| H | N | CN2 | HN2 | 61.4° | 68.9° |
| HA | CA | CB | HB3 | 153.9° | 174.4° |
| HA | CA | CB | HB2 | 35.1° | 65.7° |
| HD1 | CD1 | NE1 | HE1 | 0.0° | 0.0° |
| HE3 | CE3 | CZ3 | HZ3 | 0.1° | 0.0° |
| HZ3 | CZ3 | CH2 | HH2 | 0.1° | 0.0° |
| HZ2 | CZ2 | CH2 | HH2 | 0.0° | 0.0° |
| HN3 | CN2 | HN1 | HN2 | 120.0° | 120.1° |
