DYS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | sing | 1.34Å | 1.34Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| OXF | CXQ | sing | 1.36Å | 1.36Å | |
| SG | CB | sing | 1.81Å | 1.83Å | |
| SG | CXP | sing | 1.76Å | 1.75Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CXQ | CXP | doub | 1.39Å | 1.40Å | Aromatic |
| CXQ | CXO | sing | 1.39Å | 1.40Å | Aromatic |
| CXP | CXH | sing | 1.39Å | 1.40Å | Aromatic |
| OXE | CXO | sing | 1.36Å | 1.36Å | |
| CXO | CXG | doub | 1.39Å | 1.40Å | Aromatic |
| CXH | CXN | doub | 1.38Å | 1.40Å | Aromatic |
| CXG | CXN | sing | 1.38Å | 1.40Å | Aromatic |
| CXN | CXJ | sing | 1.51Å | 1.53Å | |
| CXJ | CXI | sing | 1.53Å | 1.53Å | |
| CXI | NXA | sing | 1.47Å | 1.47Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CXH | HXH | sing | 1.08Å | 1.08Å | |
| OXF | HOXF | sing | 0.97Å | 0.95Å | |
| OXE | HOXE | sing | 0.97Å | 0.95Å | |
| CXG | HXG | sing | 1.08Å | 1.08Å | |
| CXJ | HXJ1 | sing | 1.09Å | 1.10Å | |
| CXJ | HXJ2 | sing | 1.09Å | 1.10Å | |
| CXI | HXI1 | sing | 1.09Å | 1.10Å | |
| CXI | HXI2 | sing | 1.09Å | 1.10Å | |
| NXA | HXA1 | sing | 1.01Å | 1.00Å | |
| NXA | HXA2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 121.9° | 120.0° |
| OXT | C | CA | 117.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| O | C | CA | 120.5° | 120.0° |
| C | CA | CB | 109.4° | 109.5° |
| C | CA | N | 112.4° | 109.5° |
| C | CA | HA | 108.5° | 109.5° |
| OXF | CXQ | CXP | 120.1° | 120.1° |
| OXF | CXQ | CXO | 120.0° | 120.1° |
| CXQ | OXF | HOXF | 109.5° | 114.0° |
| CB | SG | CXP | 109.8° | 103.0° |
| SG | CB | CA | 112.6° | 109.5° |
| SG | CB | HB1 | 108.5° | 109.5° |
| SG | CB | HB2 | 107.7° | 109.4° |
| SG | CXP | CXQ | 120.1° | 120.1° |
| SG | CXP | CXH | 119.7° | 120.1° |
| CB | CA | N | 112.3° | 109.5° |
| CB | CA | HA | 108.6° | 109.5° |
| CA | CB | HB1 | 108.4° | 109.5° |
| CA | CB | HB2 | 107.7° | 109.5° |
| N | CA | HA | 105.4° | 109.4° |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.0° |
| CXP | CXQ | CXO | 119.9° | 119.8° |
| CXQ | CXP | CXH | 120.2° | 119.8° |
| CXQ | CXO | OXE | 119.9° | 120.0° |
| CXQ | CXO | CXG | 120.0° | 120.0° |
| CXP | CXH | CXN | 120.1° | 120.1° |
| CXP | CXH | HXH | 120.0° | 120.0° |
| OXE | CXO | CXG | 120.1° | 120.0° |
| CXO | OXE | HOXE | 109.5° | 114.0° |
| CXO | CXG | CXN | 120.0° | 120.1° |
| CXO | CXG | HXG | 120.0° | 119.9° |
| CXH | CXN | CXG | 119.9° | 120.1° |
| CXH | CXN | CXJ | 119.9° | 119.9° |
| CXN | CXH | HXH | 120.0° | 119.9° |
| CXG | CXN | CXJ | 120.2° | 119.9° |
| CXN | CXG | HXG | 120.0° | 119.9° |
| CXN | CXJ | CXI | 109.1° | 109.4° |
| CXN | CXJ | HXJ1 | 109.6° | 109.4° |
| CXN | CXJ | HXJ2 | 109.7° | 109.5° |
| CXJ | CXI | NXA | 109.3° | 109.4° |
| CXI | CXJ | HXJ1 | 109.6° | 109.5° |
| CXI | CXJ | HXJ2 | 109.6° | 109.5° |
| CXJ | CXI | HXI1 | 109.5° | 109.4° |
| CXJ | CXI | HXI2 | 109.5° | 109.5° |
| NXA | CXI | HXI1 | 109.5° | 109.5° |
| NXA | CXI | HXI2 | 109.6° | 109.5° |
| CXI | NXA | HXA1 | 109.5° | 111.0° |
| CXI | NXA | HXA2 | 109.5° | 111.0° |
| HN1 | N | HN2 | 109.5° | 110.9° |
| HB1 | CB | HB2 | 111.9° | 109.5° |
| HXJ1 | CXJ | HXJ2 | 109.2° | 109.5° |
| HXI1 | CXI | HXI2 | 109.3° | 109.5° |
| HXA1 | NXA | HXA2 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 179.4° | 179.8° |
| OXT | C | CA | CB | 120.3° | 79.8° |
| OXT | C | CA | N | 114.2° | 160.2° |
| OXT | C | CA | HA | 2.0° | 40.2° |
| O | C | CA | CB | 60.3° | 100.0° |
| O | C | CA | N | 65.2° | 20.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| O | C | CA | HA | 178.6° | 139.9° |
| C | CA | CB | SG | 76.5° | 180.0° |
| C | CA | CB | N | 125.5° | 120.0° |
| C | CA | CB | HA | 118.3° | 120.0° |
| C | CA | N | HA | 118.0° | 120.0° |
| CA | C | OXT | HXT | 179.4° | 179.7° |
| C | CA | N | HN1 | 26.4° | 63.9° |
| C | CA | N | HN2 | 93.6° | 59.9° |
| C | CA | CB | HB1 | 43.5° | 60.0° |
| C | CA | CB | HB2 | 164.9° | 60.0° |
| OXF | CXQ | CXP | SG | 1.3° | 0.0° |
| OXF | CXQ | CXP | CXO | 179.9° | 180.0° |
| OXF | CXQ | CXP | CXH | 179.8° | 179.7° |
| OXF | CXQ | CXO | OXE | 0.7° | 0.0° |
| OXF | CXQ | CXO | CXG | 179.7° | 180.0° |
| SG | CB | CA | HB1 | 120.0° | 120.0° |
| SG | CB | CA | HB2 | 118.6° | 120.0° |
| SG | CB | CA | N | 158.0° | 60.0° |
| CB | SG | CXP | CXQ | 99.4° | 179.7° |
| CB | SG | CXP | CXH | 79.1° | 0.0° |
| SG | CB | CA | HA | 41.8° | 60.0° |
| SG | CB | HB1 | HB2 | 118.7° | 120.0° |
| CXP | SG | CB | CA | 146.4° | 180.0° |
| SG | CXP | CXQ | CXH | 178.5° | 179.7° |
| SG | CXP | CXQ | CXO | 178.6° | 180.0° |
| SG | CXP | CXH | CXN | 178.5° | 180.0° |
| CXP | SG | CB | HB1 | 93.6° | 60.0° |
| CXP | SG | CB | HB2 | 27.8° | 60.0° |
| SG | CXP | CXH | HXH | 1.5° | 0.1° |
| CB | CA | N | HA | 118.1° | 120.0° |
| CB | CA | N | HN1 | 150.3° | 176.1° |
| CB | CA | N | HN2 | 30.3° | 60.1° |
| CA | CB | HB1 | HB2 | 118.7° | 120.0° |
| CA | N | HN1 | HN2 | 120.0° | 123.9° |
| N | CA | CB | HB1 | 82.0° | 60.0° |
| N | CA | CB | HB2 | 39.3° | 180.0° |
| CXP | CXQ | CXO | OXE | 179.4° | 180.0° |
| CXP | CXQ | CXO | CXG | 0.2° | 0.0° |
| CXQ | CXP | CXH | CXN | 0.0° | 0.3° |
| CXQ | CXP | CXH | HXH | 180.0° | 179.8° |
| CXP | CXQ | OXF | HOXF | 67.6° | 90.0° |
| CXO | CXQ | CXP | CXH | 0.1° | 0.3° |
| CXQ | CXO | OXE | CXG | 179.6° | 180.0° |
| CXQ | CXO | CXG | CXN | 0.3° | 0.2° |
| CXO | CXQ | OXF | HOXF | 112.5° | 90.0° |
| CXQ | CXO | OXE | HOXE | 155.0° | 90.0° |
| CXQ | CXO | CXG | HXG | 179.7° | 179.9° |
| CXP | CXH | CXN | HXH | 180.0° | 179.9° |
| CXP | CXH | CXN | CXG | 0.1° | 0.1° |
| CXP | CXH | CXN | CXJ | 179.3° | 179.9° |
| OXE | CXO | CXG | CXN | 179.3° | 179.8° |
| OXE | CXO | CXG | HXG | 0.7° | 0.1° |
| CXO | CXG | CXN | CXH | 0.3° | 0.1° |
| CXO | CXG | CXN | HXG | 180.0° | 179.9° |
| CXO | CXG | CXN | CXJ | 179.1° | 179.8° |
| CXG | CXO | OXE | HOXE | 25.4° | 90.0° |
| CXH | CXN | CXG | CXJ | 179.4° | 180.0° |
| CXH | CXN | CXJ | CXI | 83.9° | 90.0° |
| CXH | CXN | CXG | HXG | 179.8° | 180.0° |
| CXH | CXN | CXJ | HXJ1 | 156.1° | 150.0° |
| CXH | CXN | CXJ | HXJ2 | 36.2° | 30.0° |
| CXG | CXN | CXJ | CXI | 96.7° | 90.0° |
| CXG | CXN | CXH | HXH | 179.9° | 180.0° |
| CXG | CXN | CXJ | HXJ1 | 23.3° | 30.0° |
| CXG | CXN | CXJ | HXJ2 | 143.2° | 150.0° |
| CXN | CXJ | CXI | HXJ1 | 120.0° | 119.9° |
| CXN | CXJ | CXI | HXJ2 | 120.1° | 120.0° |
| CXN | CXJ | CXI | NXA | 170.1° | 180.0° |
| CXJ | CXN | CXH | HXH | 0.7° | 0.0° |
| CXJ | CXN | CXG | HXG | 0.8° | 0.0° |
| CXN | CXJ | HXJ1 | HXJ2 | 120.1° | 120.0° |
| CXN | CXJ | CXI | HXI1 | 50.1° | 60.0° |
| CXN | CXJ | CXI | HXI2 | 69.8° | 60.0° |
| CXJ | CXI | NXA | HXI1 | 120.0° | 120.0° |
| CXJ | CXI | NXA | HXI2 | 120.0° | 120.0° |
| CXI | CXJ | HXJ1 | HXJ2 | 120.1° | 120.1° |
| CXJ | CXI | HXI1 | HXI2 | 120.0° | 120.0° |
| CXJ | CXI | NXA | HXA1 | 153.9° | 180.0° |
| CXJ | CXI | NXA | HXA2 | 33.9° | 56.1° |
| NXA | CXI | CXJ | HXJ1 | 69.9° | 60.0° |
| NXA | CXI | CXJ | HXJ2 | 50.0° | 60.0° |
| NXA | CXI | HXI1 | HXI2 | 120.1° | 120.1° |
| CXI | NXA | HXA1 | HXA2 | 120.0° | 124.0° |
| HA | CA | N | HN1 | 91.6° | 56.1° |
| HA | CA | N | HN2 | 148.4° | 179.9° |
| HA | CA | CB | HB1 | 161.8° | 180.0° |
| HA | CA | CB | HB2 | 76.8° | 60.0° |
| HXJ1 | CXJ | CXI | HXI1 | 170.1° | 180.0° |
| HXJ1 | CXJ | CXI | HXI2 | 50.2° | 59.9° |
| HXJ2 | CXJ | CXI | HXI1 | 70.0° | 60.0° |
| HXJ2 | CXJ | CXI | HXI2 | 170.1° | 180.0° |
| HXI1 | CXI | NXA | HXA1 | 86.1° | 60.0° |
| HXI1 | CXI | NXA | HXA2 | 153.9° | 176.0° |
| HXI2 | CXI | NXA | HXA1 | 33.8° | 60.1° |
| HXI2 | CXI | NXA | HXA2 | 86.2° | 63.9° |
