MND
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CB | CG | sing | 1.51Å | 1.54Å | |
| CG | OD1 | doub | 1.21Å | 1.23Å | |
| CG | ND2 | sing | 1.35Å | 1.34Å | |
| ND2 | CE2 | sing | 1.47Å | 1.46Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| ND2 | HD2 | sing | 0.97Å | 1.00Å | |
| CE2 | HE21 | sing | 1.09Å | 1.10Å | |
| CE2 | HE22 | sing | 1.09Å | 1.10Å | |
| CE2 | HE23 | 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) |
| N | CA | CB | 112.1° | 109.4° |
| N | CA | C | 109.3° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.7° | 109.5° |
| CB | CA | C | 112.1° | 109.5° |
| CA | CB | CG | 119.7° | 109.5° |
| CB | CA | HA | 105.7° | 109.5° |
| CA | CB | HB2 | 106.2° | 109.5° |
| CA | CB | HB3 | 106.2° | 109.5° |
| CA | C | O | 119.4° | 119.9° |
| CA | C | OXT | 118.4° | 120.0° |
| C | CA | HA | 108.7° | 109.5° |
| CB | CG | OD1 | 123.6° | 120.0° |
| CB | CG | ND2 | 116.6° | 120.0° |
| CG | CB | HB2 | 106.2° | 109.5° |
| CG | CB | HB3 | 106.2° | 109.5° |
| OD1 | CG | ND2 | 117.8° | 120.0° |
| CG | ND2 | CE2 | 124.5° | 120.0° |
| CG | ND2 | HD2 | 117.8° | 120.0° |
| CE2 | ND2 | HD2 | 117.8° | 120.0° |
| ND2 | CE2 | HE21 | 109.5° | 109.5° |
| ND2 | CE2 | HE22 | 109.5° | 109.4° |
| ND2 | CE2 | HE23 | 109.5° | 109.5° |
| O | C | OXT | 122.0° | 120.1° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.4° | 111.0° |
| HB2 | CB | HB3 | 112.5° | 109.4° |
| HE21 | CE2 | HE22 | 109.5° | 109.4° |
| HE21 | CE2 | HE23 | 109.4° | 109.5° |
| HE22 | CE2 | HE23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 123.4° | 120.0° |
| N | CA | CB | HA | 118.3° | 120.0° |
| N | CA | C | HA | 118.5° | 120.0° |
| N | CA | CB | CG | 21.6° | 65.0° |
| N | CA | C | O | 61.7° | 20.0° |
| N | CA | C | OXT | 113.4° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB2 | 98.4° | 175.0° |
| N | CA | CB | HB3 | 141.6° | 55.0° |
| CB | CA | C | HA | 116.5° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | CG | OD1 | 6.3° | 0.0° |
| CA | CB | CG | ND2 | 156.9° | 180.0° |
| CB | CA | C | O | 63.3° | 100.0° |
| CB | CA | C | OXT | 121.7° | 80.0° |
| CB | CA | N | H | 180.0° | 60.1° |
| CB | CA | N | H2 | 60.0° | 176.0° |
| CA | CB | HB2 | HB3 | 115.8° | 120.0° |
| C | CA | CB | CG | 101.9° | 175.0° |
| CA | C | O | OXT | 174.8° | 180.0° |
| C | CA | N | H | 55.1° | 59.9° |
| C | CA | N | H2 | 175.1° | 64.0° |
| C | CA | CB | HB2 | 138.1° | 55.0° |
| C | CA | CB | HB3 | 18.1° | 65.0° |
| CA | C | OXT | HXT | 174.9° | 180.0° |
| CB | CG | OD1 | ND2 | 163.0° | 179.9° |
| CB | CG | ND2 | CE2 | 167.2° | 180.0° |
| CG | CB | CA | HA | 139.8° | 55.0° |
| CG | CB | HB2 | HB3 | 115.8° | 120.0° |
| CB | CG | ND2 | HD2 | 12.8° | 0.1° |
| OD1 | CG | ND2 | CE2 | 28.6° | 0.1° |
| OD1 | CG | CB | HB2 | 126.3° | 120.0° |
| OD1 | CG | CB | HB3 | 113.7° | 120.0° |
| OD1 | CG | ND2 | HD2 | 151.4° | 180.0° |
| CG | ND2 | CE2 | HD2 | 180.0° | 179.9° |
| ND2 | CG | CB | HB2 | 36.9° | 60.0° |
| ND2 | CG | CB | HB3 | 83.1° | 60.0° |
| CG | ND2 | CE2 | HE21 | 180.0° | 59.9° |
| CG | ND2 | CE2 | HE22 | 60.0° | 60.0° |
| CG | ND2 | CE2 | HE23 | 60.0° | 180.0° |
| ND2 | CE2 | HE21 | HE22 | 120.0° | 120.0° |
| ND2 | CE2 | HE21 | HE23 | 120.0° | 120.0° |
| ND2 | CE2 | HE22 | HE23 | 120.0° | 120.0° |
| O | C | CA | HA | 179.9° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 5.1° | 40.0° |
| H | N | CA | HA | 63.5° | 180.0° |
| H2 | N | CA | HA | 56.5° | 56.1° |
| HA | CA | CB | HB2 | 19.8° | 65.0° |
| HA | CA | CB | HB3 | 100.2° | 175.0° |
| HD2 | ND2 | CE2 | HE21 | 0.0° | 120.0° |
| HD2 | ND2 | CE2 | HE22 | 120.0° | 120.1° |
| HD2 | ND2 | CE2 | HE23 | 120.0° | 0.1° |
| HE21 | CE2 | HE22 | HE23 | 120.0° | 120.0° |
