MHU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.50Å | |
| N | CM | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.37Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CG | CD1 | sing | 1.38Å | 1.35Å | Aromatic |
| CG | CD2 | doub | 1.38Å | 1.38Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.41Å | Aromatic |
| CE1 | CZ | sing | 1.39Å | 1.40Å | Aromatic |
| CZ | CE2 | doub | 1.39Å | 1.38Å | Aromatic |
| CZ | NZ | sing | 1.40Å | 1.42Å | |
| CE2 | CD2 | sing | 1.38Å | 1.37Å | Aromatic |
| NZ | CZ1 | sing | 1.47Å | 1.39Å | |
| NZ | CZ2 | sing | 1.46Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CM | HM1 | sing | 1.09Å | 1.10Å | |
| CM | HM2 | sing | 1.09Å | 1.10Å | |
| CM | HM3 | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ1 | H11 | sing | 1.09Å | 1.10Å | |
| CZ1 | H12 | sing | 1.09Å | 1.10Å | |
| CZ1 | H13 | sing | 1.09Å | 1.10Å | |
| CZ2 | H21 | sing | 1.09Å | 1.10Å | |
| CZ2 | H22 | sing | 1.09Å | 1.10Å | |
| CZ2 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CM | 119.8° | 111.0° |
| N | CA | C | 110.5° | 109.4° |
| N | CA | CB | 114.4° | 109.5° |
| CA | N | H | 106.2° | 111.0° |
| N | CA | HA | 106.0° | 109.5° |
| CM | N | H | 106.2° | 111.0° |
| N | CM | HM1 | 109.5° | 109.5° |
| N | CM | HM2 | 109.4° | 109.5° |
| N | CM | HM3 | 109.4° | 109.4° |
| C | CA | CB | 111.8° | 109.5° |
| CA | C | O | 117.1° | 120.0° |
| CA | C | OXT | 122.9° | 119.9° |
| C | CA | HA | 109.0° | 109.5° |
| CA | CB | CG | 114.9° | 109.5° |
| CB | CA | HA | 104.6° | 109.5° |
| CA | CB | HB1 | 107.7° | 109.4° |
| CA | CB | HB2 | 106.4° | 109.4° |
| O | C | OXT | 120.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CB | CG | CD1 | 121.3° | 119.9° |
| CB | CG | CD2 | 122.3° | 119.9° |
| CG | CB | HB1 | 107.7° | 109.5° |
| CG | CB | HB2 | 106.4° | 109.5° |
| CD1 | CG | CD2 | 116.4° | 120.2° |
| CG | CD1 | CE1 | 122.7° | 120.1° |
| CG | CD1 | HD1 | 118.7° | 120.0° |
| CG | CD2 | CE2 | 122.2° | 120.1° |
| CG | CD2 | HD2 | 118.8° | 120.0° |
| CD1 | CE1 | CZ | 120.4° | 119.9° |
| CE1 | CD1 | HD1 | 118.6° | 120.0° |
| CD1 | CE1 | HE1 | 119.8° | 120.0° |
| CE1 | CZ | CE2 | 116.3° | 119.9° |
| CE1 | CZ | NZ | 120.8° | 120.1° |
| CZ | CE1 | HE1 | 119.8° | 120.1° |
| CE2 | CZ | NZ | 122.9° | 120.0° |
| CZ | CE2 | CD2 | 122.0° | 119.9° |
| CZ | CE2 | HE2 | 119.0° | 120.1° |
| CZ | NZ | CZ1 | 121.4° | 120.0° |
| CZ | NZ | CZ2 | 120.3° | 120.1° |
| CE2 | CD2 | HD2 | 118.9° | 120.0° |
| CD2 | CE2 | HE2 | 119.0° | 120.0° |
| CZ1 | NZ | CZ2 | 118.3° | 119.9° |
| NZ | CZ1 | H11 | 109.5° | 109.5° |
| NZ | CZ1 | H12 | 109.4° | 109.5° |
| NZ | CZ1 | H13 | 109.5° | 109.4° |
| NZ | CZ2 | H21 | 109.5° | 109.4° |
| NZ | CZ2 | H22 | 109.5° | 109.5° |
| NZ | CZ2 | H23 | 109.5° | 109.5° |
| HM1 | CM | HM2 | 109.5° | 109.5° |
| HM1 | CM | HM3 | 109.4° | 109.5° |
| HM2 | CM | HM3 | 109.5° | 109.5° |
| HB1 | CB | HB2 | 113.9° | 109.5° |
| H11 | CZ1 | H12 | 109.5° | 109.5° |
| H11 | CZ1 | H13 | 109.5° | 109.5° |
| H12 | CZ1 | H13 | 109.5° | 109.4° |
| H21 | CZ2 | H22 | 109.5° | 109.5° |
| H21 | CZ2 | H23 | 109.5° | 109.5° |
| H22 | CZ2 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | CM | H | 120.0° | 124.0° |
| N | CA | C | CB | 128.7° | 120.0° |
| N | CA | C | HA | 116.1° | 120.0° |
| N | CA | CB | HA | 115.6° | 120.0° |
| N | CA | C | O | 60.2° | 15.8° |
| N | CA | C | OXT | 119.6° | 164.1° |
| N | CA | CB | CG | 173.0° | 65.0° |
| CA | N | CM | HM1 | 67.1° | 175.0° |
| CA | N | CM | HM2 | 52.9° | 55.0° |
| CA | N | CM | HM3 | 172.9° | 65.0° |
| N | CA | CB | HB1 | 53.0° | 55.0° |
| N | CA | CB | HB2 | 69.5° | 175.0° |
| CM | N | CA | C | 104.7° | 89.1° |
| CM | N | CA | CB | 22.6° | 150.9° |
| CM | N | CA | HA | 137.3° | 30.9° |
| N | CM | HM1 | HM2 | 120.0° | 120.0° |
| N | CM | HM1 | HM3 | 120.0° | 120.0° |
| N | CM | HM2 | HM3 | 120.0° | 120.0° |
| C | CA | CB | HA | 117.8° | 120.0° |
| CA | C | O | OXT | 179.8° | 180.0° |
| C | CA | CB | CG | 60.4° | 175.0° |
| C | CA | N | H | 135.3° | 34.9° |
| C | CA | CB | HB1 | 179.6° | 65.0° |
| C | CA | CB | HB2 | 57.1° | 55.0° |
| CA | C | OXT | HXT | 179.8° | 179.9° |
| CB | CA | C | O | 68.5° | 104.2° |
| CB | CA | C | OXT | 111.7° | 75.9° |
| CA | CB | CG | HB1 | 120.0° | 120.0° |
| CA | CB | CG | HB2 | 117.5° | 120.0° |
| CA | CB | CG | CD1 | 71.4° | 90.0° |
| CA | CB | CG | CD2 | 109.0° | 90.3° |
| CB | CA | N | H | 97.5° | 85.1° |
| CA | CB | HB1 | HB2 | 117.8° | 119.9° |
| O | C | CA | HA | 176.4° | 135.8° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | HA | 3.4° | 44.2° |
| CB | CG | CD1 | CD2 | 179.6° | 179.7° |
| CB | CG | CD1 | CE1 | 179.9° | 180.0° |
| CB | CG | CD2 | CE2 | 180.0° | 179.7° |
| CG | CB | CA | HA | 57.4° | 55.0° |
| CG | CB | HB1 | HB2 | 117.8° | 120.1° |
| CB | CG | CD1 | HD1 | 0.1° | 0.1° |
| CB | CG | CD2 | HD2 | 0.0° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.3° | 0.0° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.6° |
| CD1 | CG | CB | HB1 | 48.6° | 29.9° |
| CD1 | CG | CB | HB2 | 171.1° | 150.0° |
| CD1 | CG | CD2 | HD2 | 179.7° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.7° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.5° | 0.3° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.6° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.7° |
| CD2 | CG | CB | HB1 | 131.0° | 149.8° |
| CD2 | CG | CB | HB2 | 8.5° | 29.7° |
| CD2 | CG | CD1 | HD1 | 179.5° | 179.8° |
| CG | CD2 | CE2 | HE2 | 180.0° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.0° | 0.0° |
| CD1 | CE1 | CZ | NZ | 179.9° | 180.0° |
| CE1 | CZ | CE2 | NZ | 179.8° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.3° |
| CE1 | CZ | NZ | CZ1 | 0.1° | 6.1° |
| CE1 | CZ | NZ | CZ2 | 179.9° | 173.9° |
| CZ | CE1 | CD1 | HD1 | 179.7° | 179.9° |
| CE1 | CZ | CE2 | HE2 | 179.9° | 180.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.7° |
| CE2 | CZ | NZ | CZ1 | 180.0° | 173.9° |
| CE2 | CZ | NZ | CZ2 | 0.0° | 6.1° |
| CZ | CE2 | CD2 | HD2 | 180.0° | 179.7° |
| CE2 | CZ | CE1 | HE1 | 180.0° | 179.9° |
| NZ | CZ | CE2 | CD2 | 180.0° | 179.8° |
| CZ | NZ | CZ1 | CZ2 | 180.0° | 179.9° |
| NZ | CZ | CE1 | HE1 | 0.2° | 0.1° |
| NZ | CZ | CE2 | HE2 | 0.0° | 0.0° |
| CZ | NZ | CZ1 | H11 | 44.3° | 89.9° |
| CZ | NZ | CZ1 | H12 | 164.3° | 150.0° |
| CZ | NZ | CZ1 | H13 | 75.7° | 30.1° |
| CZ | NZ | CZ2 | H21 | 143.9° | 5.1° |
| CZ | NZ | CZ2 | H22 | 96.1° | 125.1° |
| CZ | NZ | CZ2 | H23 | 23.9° | 114.9° |
| NZ | CZ1 | H11 | H12 | 120.0° | 120.0° |
| NZ | CZ1 | H11 | H13 | 120.0° | 120.0° |
| NZ | CZ1 | H12 | H13 | 120.0° | 119.9° |
| CZ1 | NZ | CZ2 | H21 | 36.1° | 174.9° |
| CZ1 | NZ | CZ2 | H22 | 83.9° | 55.0° |
| CZ1 | NZ | CZ2 | H23 | 156.1° | 65.1° |
| CZ2 | NZ | CZ1 | H11 | 135.7° | 90.0° |
| CZ2 | NZ | CZ1 | H12 | 15.7° | 30.1° |
| CZ2 | NZ | CZ1 | H13 | 104.3° | 150.0° |
| NZ | CZ2 | H21 | H22 | 120.0° | 119.9° |
| NZ | CZ2 | H21 | H23 | 120.0° | 120.0° |
| NZ | CZ2 | H22 | H23 | 120.0° | 120.0° |
| H | N | CA | HA | 17.3° | 154.9° |
| H | N | CM | HM1 | 172.9° | 61.0° |
| H | N | CM | HM2 | 67.1° | 179.0° |
| H | N | CM | HM3 | 52.9° | 59.0° |
| HA | CA | CB | HB1 | 62.6° | 175.0° |
| HA | CA | CB | HB2 | 175.0° | 65.0° |
| HM1 | CM | HM2 | HM3 | 120.0° | 120.0° |
| HD1 | CD1 | CE1 | HE1 | 0.3° | 0.0° |
| HD2 | CD2 | CE2 | HE2 | 0.0° | 0.0° |
| H11 | CZ1 | H12 | H13 | 120.0° | 120.0° |
| H21 | CZ2 | H22 | H23 | 120.0° | 120.0° |
