MLY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.53Å | 1.52Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CG | HG3 | sing | 1.09Å | 1.12Å | |
| CD | CE | sing | 1.53Å | 1.53Å | |
| CD | HD2 | sing | 1.09Å | 1.12Å | |
| CD | HD3 | sing | 1.09Å | 1.11Å | |
| CE | NZ | sing | 1.47Å | 1.47Å | |
| CE | HE2 | sing | 1.09Å | 1.12Å | |
| CE | HE3 | sing | 1.09Å | 1.12Å | |
| NZ | CH1 | sing | 1.47Å | 1.48Å | |
| NZ | CH2 | sing | 1.47Å | 1.49Å | |
| CH1 | HH11 | sing | 1.09Å | 1.12Å | |
| CH1 | HH12 | sing | 1.09Å | 1.11Å | |
| CH1 | HH13 | sing | 1.09Å | 1.12Å | |
| CH2 | HH21 | sing | 1.09Å | 1.12Å | |
| CH2 | HH22 | sing | 1.09Å | 1.12Å | |
| CH2 | HH23 | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 112.3° | 106.8° |
| CA | N | H2 | 111.1° | 106.7° |
| N | CA | CB | 112.3° | 109.4° |
| N | CA | C | 113.4° | 109.5° |
| N | CA | HA | 105.5° | 109.4° |
| H | N | H2 | 111.1° | 106.7° |
| CB | CA | C | 112.1° | 109.6° |
| CB | CA | HA | 107.0° | 109.5° |
| CA | CB | CG | 114.4° | 109.5° |
| CA | CB | HB2 | 110.4° | 109.4° |
| CA | CB | HB3 | 110.4° | 109.4° |
| C | CA | HA | 105.8° | 109.5° |
| CA | C | O | 121.9° | 120.0° |
| CA | C | OXT | 116.4° | 120.1° |
| CG | CB | HB2 | 110.4° | 109.5° |
| CG | CB | HB3 | 110.4° | 109.5° |
| CB | CG | CD | 114.0° | 109.5° |
| CB | CG | HG2 | 110.6° | 109.5° |
| CB | CG | HG3 | 110.6° | 109.5° |
| HB2 | CB | HB3 | 99.9° | 109.5° |
| CD | CG | HG2 | 110.5° | 109.4° |
| CD | CG | HG3 | 110.5° | 109.4° |
| CG | CD | CE | 112.0° | 109.6° |
| CG | CD | HD2 | 111.3° | 109.4° |
| CG | CD | HD3 | 111.3° | 109.4° |
| HG2 | CG | HG3 | 99.7° | 109.5° |
| CE | CD | HD2 | 111.2° | 109.5° |
| CE | CD | HD3 | 111.2° | 109.5° |
| CD | CE | NZ | 114.1° | 109.5° |
| CD | CE | HE2 | 110.5° | 109.4° |
| CD | CE | HE3 | 110.5° | 109.5° |
| HD2 | CD | HD3 | 99.1° | 109.4° |
| NZ | CE | HE2 | 110.5° | 109.4° |
| NZ | CE | HE3 | 110.5° | 109.5° |
| CE | NZ | CH1 | 109.9° | 106.8° |
| CE | NZ | CH2 | 109.9° | 106.8° |
| HE2 | CE | HE3 | 99.7° | 109.4° |
| CH1 | NZ | CH2 | 113.2° | 106.7° |
| NZ | CH1 | HH11 | 109.9° | 109.5° |
| NZ | CH1 | HH12 | 112.1° | 109.5° |
| NZ | CH1 | HH13 | 112.1° | 109.4° |
| NZ | CH2 | HH21 | 109.9° | 109.5° |
| NZ | CH2 | HH22 | 112.0° | 109.5° |
| NZ | CH2 | HH23 | 112.1° | 109.5° |
| HH11 | CH1 | HH12 | 112.0° | 109.5° |
| HH11 | CH1 | HH13 | 112.0° | 109.4° |
| HH12 | CH1 | HH13 | 98.4° | 109.5° |
| HH21 | CH2 | HH22 | 112.0° | 109.5° |
| HH21 | CH2 | HH23 | 112.1° | 109.5° |
| HH22 | CH2 | HH23 | 98.3° | 109.5° |
| O | C | OXT | 121.6° | 119.9° |
| C | OXT | HXT | 116.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.8° |
| N | CA | CB | C | 129.1° | 120.0° |
| N | CA | CB | HA | 115.4° | 119.9° |
| N | CA | C | HA | 115.2° | 119.9° |
| N | CA | CB | CG | 85.5° | 59.9° |
| N | CA | CB | HB2 | 39.7° | 180.0° |
| N | CA | CB | HB3 | 149.2° | 60.0° |
| N | CA | C | O | 20.5° | 30.1° |
| N | CA | C | OXT | 156.6° | 150.0° |
| H | N | CA | CB | 180.0° | 53.7° |
| H | N | CA | C | 51.7° | 173.8° |
| H | N | CA | HA | 63.7° | 66.3° |
| H2 | N | CA | CB | 54.8° | 60.1° |
| H2 | N | CA | C | 176.9° | 60.0° |
| H2 | N | CA | HA | 61.5° | 180.0° |
| CB | CA | C | HA | 116.3° | 120.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.2° | 120.0° |
| CA | CB | HB2 | HB3 | 116.3° | 119.9° |
| CA | CB | CG | CD | 49.6° | 180.0° |
| CA | CB | CG | HG2 | 75.6° | 60.0° |
| CA | CB | CG | HG3 | 174.9° | 60.0° |
| CB | CA | C | O | 108.0° | 89.9° |
| CB | CA | C | OXT | 74.9° | 89.9° |
| C | CA | CB | CG | 145.4° | 180.0° |
| C | CA | CB | HB2 | 89.3° | 59.9° |
| C | CA | CB | HB3 | 20.2° | 60.0° |
| CA | C | O | OXT | 177.0° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| HA | CA | CB | CG | 29.8° | 60.0° |
| HA | CA | CB | HB2 | 155.1° | 60.1° |
| HA | CA | CB | HB3 | 95.4° | 180.0° |
| HA | CA | C | O | 135.7° | 150.0° |
| HA | CA | C | OXT | 41.4° | 30.1° |
| CG | CB | HB2 | HB3 | 116.2° | 120.0° |
| CB | CG | CD | HG2 | 125.3° | 120.1° |
| CB | CG | CD | HG3 | 125.3° | 120.0° |
| CB | CG | HG2 | HG3 | 116.4° | 120.0° |
| CB | CG | CD | CE | 148.6° | 180.0° |
| CB | CG | CD | HD2 | 23.3° | 59.9° |
| CB | CG | CD | HD3 | 86.2° | 60.0° |
| HB2 | CB | CG | CD | 174.9° | 60.0° |
| HB2 | CB | CG | HG2 | 49.6° | 180.0° |
| HB2 | CB | CG | HG3 | 59.9° | 60.0° |
| HB3 | CB | CG | CD | 75.6° | 60.1° |
| HB3 | CB | CG | HG2 | 159.1° | 60.0° |
| HB3 | CB | CG | HG3 | 49.6° | 180.0° |
| CD | CG | HG2 | HG3 | 116.4° | 119.9° |
| CG | CD | CE | HD2 | 125.3° | 120.1° |
| CG | CD | CE | HD3 | 125.3° | 120.0° |
| CG | CD | HD2 | HD3 | 117.2° | 119.9° |
| CG | CD | CE | NZ | 161.5° | 179.9° |
| CG | CD | CE | HE2 | 36.2° | 60.0° |
| CG | CD | CE | HE3 | 73.3° | 60.0° |
| HG2 | CG | CD | CE | 86.1° | 59.9° |
| HG2 | CG | CD | HD2 | 148.6° | 180.0° |
| HG2 | CG | CD | HD3 | 39.1° | 60.1° |
| HG3 | CG | CD | CE | 23.3° | 60.0° |
| HG3 | CG | CD | HD2 | 102.0° | 60.1° |
| HG3 | CG | CD | HD3 | 148.5° | 180.0° |
| CE | CD | HD2 | HD3 | 117.1° | 120.0° |
| CD | CE | NZ | HE2 | 125.3° | 120.0° |
| CD | CE | NZ | HE3 | 125.3° | 120.1° |
| CD | CE | HE2 | HE3 | 116.4° | 120.0° |
| CD | CE | NZ | CH1 | 167.8° | 180.0° |
| CD | CE | NZ | CH2 | 42.6° | 66.2° |
| HD2 | CD | CE | NZ | 73.2° | 60.0° |
| HD2 | CD | CE | HE2 | 161.5° | 180.0° |
| HD2 | CD | CE | HE3 | 52.0° | 60.1° |
| HD3 | CD | CE | NZ | 36.2° | 59.9° |
| HD3 | CD | CE | HE2 | 89.1° | 60.1° |
| HD3 | CD | CE | HE3 | 161.4° | 180.0° |
| NZ | CE | HE2 | HE3 | 116.3° | 120.0° |
| CE | NZ | CH1 | CH2 | 123.3° | 113.9° |
| CE | NZ | CH1 | HH11 | 180.0° | 180.0° |
| CE | NZ | CH1 | HH12 | 54.7° | 59.9° |
| CE | NZ | CH1 | HH13 | 54.8° | 60.1° |
| CE | NZ | CH2 | HH21 | 180.0° | 66.2° |
| CE | NZ | CH2 | HH22 | 54.8° | 173.8° |
| CE | NZ | CH2 | HH23 | 54.7° | 53.8° |
| HE2 | CE | NZ | CH1 | 66.9° | 60.1° |
| HE2 | CE | NZ | CH2 | 167.9° | 53.8° |
| HE3 | CE | NZ | CH1 | 42.5° | 59.9° |
| HE3 | CE | NZ | CH2 | 82.7° | 173.7° |
| NZ | CH1 | HH11 | HH12 | 125.3° | 120.1° |
| NZ | CH1 | HH11 | HH13 | 125.3° | 119.9° |
| NZ | CH1 | HH12 | HH13 | 118.0° | 120.0° |
| CH1 | NZ | CH2 | HH21 | 56.7° | 179.9° |
| CH1 | NZ | CH2 | HH22 | 68.5° | 59.9° |
| CH1 | NZ | CH2 | HH23 | 178.0° | 60.1° |
| CH2 | NZ | CH1 | HH11 | 56.7° | 66.1° |
| CH2 | NZ | CH1 | HH12 | 178.0° | 173.8° |
| CH2 | NZ | CH1 | HH13 | 68.5° | 53.8° |
| NZ | CH2 | HH21 | HH22 | 125.2° | 120.0° |
| NZ | CH2 | HH21 | HH23 | 125.3° | 120.0° |
| NZ | CH2 | HH22 | HH23 | 118.0° | 120.0° |
| HH11 | CH1 | HH12 | HH13 | 117.9° | 119.9° |
| HH21 | CH2 | HH22 | HH23 | 118.0° | 120.0° |
| O | C | OXT | HXT | 2.9° | 0.1° |
