MTY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.42Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.42Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CD2 | CE2 | doub | 1.39Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE2 | CZ | sing | 1.39Å | 1.38Å | Aromatic |
| CE2 | OH | sing | 1.36Å | 1.39Å | |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 110.6° | 106.8° |
| CA | N | H2 | 111.8° | 106.7° |
| N | CA | CB | 110.6° | 109.4° |
| N | CA | C | 110.1° | 109.5° |
| N | CA | HA | 108.3° | 109.4° |
| H | N | H2 | 111.8° | 106.6° |
| CB | CA | C | 109.5° | 109.5° |
| CB | CA | HA | 108.9° | 109.5° |
| CA | CB | CG | 112.6° | 109.5° |
| CA | CB | HB2 | 111.0° | 109.5° |
| CA | CB | HB3 | 111.0° | 109.4° |
| C | CA | HA | 109.4° | 109.5° |
| CA | C | O | 120.8° | 120.0° |
| CA | C | OXT | 116.2° | 120.0° |
| CG | CB | HB2 | 111.1° | 109.5° |
| CG | CB | HB3 | 111.1° | 109.5° |
| CB | CG | CD1 | 120.4° | 119.9° |
| CB | CG | CD2 | 120.6° | 120.0° |
| HB2 | CB | HB3 | 99.3° | 109.4° |
| CD1 | CG | CD2 | 119.0° | 120.0° |
| CG | CD1 | CE1 | 121.1° | 120.1° |
| CG | CD1 | HD1 | 119.7° | 119.9° |
| CG | CD2 | CE2 | 120.8° | 120.0° |
| CG | CD2 | HD2 | 119.6° | 120.0° |
| CE1 | CD1 | HD1 | 119.2° | 120.0° |
| CD1 | CE1 | CZ | 119.8° | 120.1° |
| CD1 | CE1 | HE1 | 118.6° | 120.0° |
| CZ | CE1 | HE1 | 121.6° | 120.0° |
| CE1 | CZ | CE2 | 119.3° | 119.9° |
| CE1 | CZ | HZ | 121.8° | 120.0° |
| CE2 | CD2 | HD2 | 119.6° | 120.1° |
| CD2 | CE2 | CZ | 120.0° | 119.9° |
| CD2 | CE2 | OH | 120.8° | 120.1° |
| CZ | CE2 | OH | 119.1° | 120.0° |
| CE2 | CZ | HZ | 118.9° | 120.0° |
| CE2 | OH | HH | 120.7° | 106.8° |
| O | C | OXT | 122.9° | 120.0° |
| C | OXT | HXT | 116.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.7° |
| N | CA | CB | C | 121.5° | 120.0° |
| N | CA | CB | HA | 118.9° | 119.9° |
| N | CA | C | HA | 118.9° | 120.0° |
| N | CA | CB | CG | 177.8° | 60.0° |
| N | CA | CB | HB2 | 56.9° | 60.1° |
| N | CA | CB | HB3 | 52.5° | 180.0° |
| N | CA | C | O | 136.6° | 30.0° |
| N | CA | C | OXT | 45.5° | 150.0° |
| H | N | CA | CB | 180.0° | 53.7° |
| H | N | CA | C | 58.9° | 173.7° |
| H | N | CA | HA | 60.7° | 66.3° |
| H2 | N | CA | CB | 54.7° | 60.1° |
| H2 | N | CA | C | 175.9° | 60.0° |
| H2 | N | CA | HA | 64.5° | 180.0° |
| CB | CA | C | HA | 119.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.1° |
| CA | CB | CG | HB3 | 125.2° | 120.0° |
| CA | CB | HB2 | HB3 | 116.8° | 119.9° |
| CA | CB | CG | CD1 | 95.4° | 90.0° |
| CA | CB | CG | CD2 | 82.3° | 90.3° |
| CB | CA | C | O | 101.6° | 90.0° |
| CB | CA | C | OXT | 76.3° | 90.0° |
| C | CA | CB | CG | 56.3° | 180.0° |
| C | CA | CB | HB2 | 178.4° | 59.9° |
| C | CA | CB | HB3 | 69.0° | 60.0° |
| CA | C | O | OXT | 177.7° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| HA | CA | CB | CG | 63.3° | 59.9° |
| HA | CA | CB | HB2 | 62.0° | 180.0° |
| HA | CA | CB | HB3 | 171.4° | 60.1° |
| HA | CA | C | O | 17.7° | 149.9° |
| HA | CA | C | OXT | 164.4° | 30.0° |
| CG | CB | HB2 | HB3 | 117.0° | 120.0° |
| CB | CG | CD1 | CD2 | 177.8° | 179.7° |
| CB | CG | CD1 | CE1 | 177.7° | 180.0° |
| CB | CG | CD1 | HD1 | 2.2° | 0.1° |
| CB | CG | CD2 | CE2 | 178.1° | 179.8° |
| CB | CG | CD2 | HD2 | 1.8° | 0.3° |
| HB2 | CB | CG | CD1 | 139.3° | 30.0° |
| HB2 | CB | CG | CD2 | 43.0° | 149.7° |
| HB3 | CB | CG | CD1 | 29.8° | 150.0° |
| HB3 | CB | CG | CD2 | 152.5° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.7° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.4° | 0.5° |
| CD1 | CG | CD2 | HD2 | 179.6° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.0° | 0.3° |
| CD2 | CG | CD1 | HD1 | 180.0° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.5° |
| CG | CD2 | CE2 | CZ | 0.6° | 0.5° |
| CG | CD2 | CE2 | OH | 177.0° | 179.8° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.0° |
| CD1 | CE1 | CZ | HZ | 179.9° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.8° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| CE1 | CZ | CE2 | CD2 | 0.3° | 0.2° |
| CE1 | CZ | CE2 | HZ | 180.0° | 180.0° |
| CE1 | CZ | CE2 | OH | 177.3° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.9° | 180.0° |
| HE1 | CE1 | CZ | HZ | 0.1° | 0.0° |
| CD2 | CE2 | CZ | OH | 177.6° | 179.7° |
| CD2 | CE2 | CZ | HZ | 179.7° | 179.8° |
| CD2 | CE2 | OH | HH | 180.0° | 89.7° |
| HD2 | CD2 | CE2 | CZ | 179.4° | 180.0° |
| HD2 | CD2 | CE2 | OH | 3.1° | 0.2° |
| CZ | CE2 | OH | HH | 2.5° | 90.0° |
| OH | CE2 | CZ | HZ | 2.8° | 0.1° |
| O | C | OXT | HXT | 2.2° | 0.0° |
