MEA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | sing | 1.47Å | 1.48Å | |
| C1 | HC1 | sing | 1.09Å | 1.10Å | |
| C1 | HC2 | sing | 1.09Å | 1.10Å | |
| C1 | HC3 | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.41Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.41Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.41Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | CE2 | sing | 1.38Å | 1.40Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE2 | CD2 | doub | 1.38Å | 1.41Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | HC1 | 109.5° | 109.4° |
| N | C1 | HC2 | 109.5° | 109.5° |
| N | C1 | HC3 | 109.5° | 109.5° |
| C1 | N | CA | 123.1° | 111.0° |
| C1 | N | H | 105.1° | 111.0° |
| HC1 | C1 | HC2 | 109.5° | 109.4° |
| HC1 | C1 | HC3 | 109.4° | 109.5° |
| HC2 | C1 | HC3 | 109.5° | 109.5° |
| CA | N | H | 105.1° | 111.0° |
| N | CA | C | 111.2° | 109.5° |
| N | CA | CB | 110.3° | 109.5° |
| N | CA | HA | 107.5° | 109.5° |
| C | CA | CB | 108.9° | 109.4° |
| C | CA | HA | 109.0° | 109.4° |
| CA | C | O | 120.6° | 120.0° |
| CA | C | OXT | 116.3° | 120.0° |
| CB | CA | HA | 109.9° | 109.5° |
| CA | CB | CG | 112.9° | 109.5° |
| CA | CB | HB1 | 108.4° | 109.5° |
| CA | CB | HB2 | 108.4° | 109.5° |
| O | C | OXT | 123.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CG | CB | HB1 | 108.3° | 109.5° |
| CG | CB | HB2 | 108.4° | 109.4° |
| CB | CG | CD1 | 120.3° | 120.0° |
| CB | CG | CD2 | 119.7° | 120.0° |
| HB1 | CB | HB2 | 110.6° | 109.4° |
| CD1 | CG | CD2 | 119.8° | 119.9° |
| CG | CD1 | CE1 | 119.8° | 120.0° |
| CG | CD1 | HD1 | 120.1° | 120.0° |
| CG | CD2 | CE2 | 120.3° | 120.0° |
| CG | CD2 | HD2 | 119.9° | 120.0° |
| CE1 | CD1 | HD1 | 120.1° | 120.0° |
| CD1 | CE1 | CZ | 120.0° | 120.0° |
| CD1 | CE1 | HE1 | 120.0° | 120.0° |
| CZ | CE1 | HE1 | 120.0° | 120.0° |
| CE1 | CZ | CE2 | 120.1° | 120.0° |
| CE1 | CZ | HZ | 119.9° | 120.0° |
| CE2 | CZ | HZ | 119.9° | 120.0° |
| CZ | CE2 | CD2 | 119.9° | 120.0° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CD2 | CE2 | HE2 | 120.0° | 120.0° |
| CE2 | CD2 | HD2 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | HC1 | HC2 | 120.0° | 120.0° |
| N | C1 | HC1 | HC3 | 120.0° | 120.0° |
| N | C1 | HC2 | HC3 | 120.0° | 120.0° |
| C1 | N | CA | H | 120.0° | 124.0° |
| C1 | N | CA | C | 56.4° | 85.0° |
| C1 | N | CA | CB | 64.5° | 155.0° |
| C1 | N | CA | HA | 175.6° | 35.0° |
| HC1 | C1 | HC2 | HC3 | 120.0° | 120.0° |
| HC1 | C1 | N | CA | 180.0° | 60.0° |
| HC1 | C1 | N | H | 60.1° | 176.0° |
| HC2 | C1 | N | CA | 60.0° | 180.0° |
| HC2 | C1 | N | H | 60.0° | 56.1° |
| HC3 | C1 | N | CA | 60.0° | 60.0° |
| HC3 | C1 | N | H | 180.0° | 63.9° |
| N | CA | C | CB | 121.7° | 120.0° |
| N | CA | C | HA | 118.4° | 120.0° |
| N | CA | CB | HA | 118.4° | 120.1° |
| N | CA | C | O | 116.8° | 0.0° |
| N | CA | C | OXT | 64.0° | 180.0° |
| N | CA | CB | CG | 67.4° | 65.0° |
| N | CA | CB | HB1 | 52.6° | 55.0° |
| N | CA | CB | HB2 | 172.6° | 175.0° |
| H | N | CA | C | 63.6° | 151.0° |
| H | N | CA | CB | 175.5° | 31.1° |
| H | N | CA | HA | 55.7° | 89.0° |
| C | CA | CB | HA | 119.3° | 119.9° |
| CA | C | O | OXT | 179.2° | 180.0° |
| C | CA | CB | CG | 170.3° | 175.0° |
| C | CA | CB | HB1 | 69.7° | 65.0° |
| C | CA | CB | HB2 | 50.3° | 55.0° |
| CA | C | OXT | HXT | 179.2° | 180.0° |
| CB | CA | C | O | 5.0° | 120.0° |
| CB | CA | C | OXT | 174.3° | 60.0° |
| CA | CB | CG | HB1 | 120.0° | 120.1° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 118.6° | 120.0° |
| CA | CB | CG | CD1 | 89.3° | 90.0° |
| CA | CB | CG | CD2 | 94.3° | 90.2° |
| HA | CA | C | O | 124.9° | 120.0° |
| HA | CA | C | OXT | 54.4° | 60.0° |
| HA | CA | CB | CG | 51.0° | 55.0° |
| HA | CA | CB | HB1 | 170.9° | 175.1° |
| HA | CA | CB | HB2 | 69.0° | 64.9° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CG | CB | HB1 | HB2 | 118.6° | 119.9° |
| CB | CG | CD1 | CD2 | 176.4° | 179.8° |
| CB | CG | CD1 | CE1 | 175.9° | 179.9° |
| CB | CG | CD1 | HD1 | 4.1° | 0.0° |
| CB | CG | CD2 | CE2 | 175.9° | 179.8° |
| CB | CG | CD2 | HD2 | 4.1° | 0.0° |
| HB1 | CB | CG | CD1 | 30.6° | 30.1° |
| HB1 | CB | CG | CD2 | 145.7° | 149.7° |
| HB2 | CB | CG | CD1 | 150.6° | 150.0° |
| HB2 | CB | CG | CD2 | 25.7° | 29.8° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.1° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.5° | 0.5° |
| CD1 | CG | CD2 | HD2 | 179.6° | 179.7° |
| CD2 | CG | CD1 | CE1 | 0.5° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.5° | 179.8° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.4° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.8° |
| CG | CD2 | CE2 | HE2 | 179.9° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.2° | 0.1° |
| CD1 | CE1 | CZ | HZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.2° | 0.2° |
| CE1 | CZ | CE2 | HE2 | 179.7° | 179.9° |
| HE1 | CE1 | CZ | CE2 | 179.8° | 180.0° |
| HE1 | CE1 | CZ | HZ | 0.2° | 0.1° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | HD2 | 179.9° | 179.8° |
| HZ | CZ | CE2 | CD2 | 179.8° | 179.9° |
| HZ | CZ | CE2 | HE2 | 0.2° | 0.0° |
| HE2 | CE2 | CD2 | HD2 | 0.1° | 0.1° |
