ZYJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CA | sing | 1.49Å | 1.47Å | |
| N | CD | sing | 1.49Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N1 | O2 | sing | 1.42Å | 1.32Å | |
| N1 | C13 | doub | 1.29Å | 1.25Å | |
| O2 | CG | sing | 1.43Å | 1.41Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| O4 | C7 | sing | 1.36Å | 1.42Å | |
| O5 | C6 | sing | 1.36Å | 1.42Å | |
| O5 | C14 | sing | 1.43Å | 1.42Å | |
| C6 | C7 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C9 | sing | 1.39Å | 1.42Å | Aromatic |
| C7 | C10 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| CA | CB | sing | 1.54Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.54Å | 1.50Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD | CG | sing | 1.54Å | 1.52Å | |
| CD | HD | sing | 1.09Å | 1.10Å | |
| CD | HDA | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| C10 | C12 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.47Å | 1.71Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | 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) |
| O | C | CA | 120.7° | 120.0° |
| O | C | OXT | 119.6° | 120.0° |
| CA | C | OXT | 119.7° | 120.0° |
| C | CA | N | 112.4° | 110.4° |
| C | CA | CB | 112.6° | 110.4° |
| C | CA | HA | 103.4° | 110.3° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | CD | 110.8° | 104.2° |
| CA | N | H | 109.0° | 111.0° |
| N | CA | CB | 102.8° | 104.6° |
| N | CA | HA | 113.1° | 110.4° |
| CD | N | H | 109.1° | 111.0° |
| N | CD | CG | 102.5° | 104.6° |
| N | CD | HD | 111.9° | 110.4° |
| N | CD | HDA | 111.9° | 110.4° |
| O2 | N1 | C13 | 123.4° | 120.0° |
| N1 | O2 | CG | 115.0° | 114.0° |
| N1 | C13 | C12 | 119.6° | 120.0° |
| N1 | C13 | H13 | 120.2° | 120.0° |
| O2 | CG | CB | 116.4° | 110.3° |
| O2 | CG | CD | 113.3° | 110.3° |
| O2 | CG | HG | 99.7° | 110.3° |
| O4 | C4 | H4 | 109.5° | 109.5° |
| O4 | C4 | H4A | 109.4° | 109.5° |
| O4 | C4 | H4B | 109.5° | 109.5° |
| C4 | O4 | C7 | 114.0° | 117.0° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.4° |
| O4 | C7 | C6 | 120.7° | 120.0° |
| O4 | C7 | C10 | 119.5° | 120.0° |
| C6 | O5 | C14 | 113.5° | 117.0° |
| O5 | C6 | C7 | 120.4° | 120.0° |
| O5 | C6 | C9 | 120.0° | 119.9° |
| O5 | C14 | H14 | 109.5° | 109.5° |
| O5 | C14 | H14A | 109.5° | 109.5° |
| O5 | C14 | H14B | 109.5° | 109.4° |
| C7 | C6 | C9 | 119.7° | 120.1° |
| C6 | C7 | C10 | 119.8° | 120.1° |
| C6 | C9 | C11 | 120.3° | 120.1° |
| C6 | C9 | H9 | 119.9° | 119.9° |
| C7 | C10 | C12 | 120.4° | 119.8° |
| C7 | C10 | H10 | 119.8° | 120.1° |
| C11 | C9 | H9 | 119.8° | 119.9° |
| C9 | C11 | C12 | 120.1° | 120.1° |
| C9 | C11 | H11 | 120.0° | 120.0° |
| CB | CA | HA | 112.9° | 110.5° |
| CA | CB | CG | 102.5° | 105.0° |
| CA | CB | HB | 111.9° | 110.3° |
| CA | CB | HBA | 111.9° | 110.3° |
| CG | CB | HB | 111.9° | 110.3° |
| CG | CB | HBA | 111.8° | 110.4° |
| CB | CG | CD | 101.9° | 105.1° |
| CB | CG | HG | 111.4° | 110.3° |
| HB | CB | HBA | 107.0° | 110.4° |
| CG | CD | HD | 111.9° | 110.4° |
| CG | CD | HDA | 111.9° | 110.4° |
| CD | CG | HG | 114.7° | 110.4° |
| HD | CD | HDA | 107.0° | 110.5° |
| C12 | C10 | H10 | 119.8° | 120.1° |
| C10 | C12 | C11 | 119.7° | 119.8° |
| C10 | C12 | C13 | 120.7° | 120.1° |
| C12 | C11 | H11 | 120.0° | 119.9° |
| C11 | C12 | C13 | 119.6° | 120.1° |
| C12 | C13 | H13 | 120.2° | 120.0° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.7° |
| O | C | CA | N | 54.1° | 18.6° |
| O | C | CA | CB | 61.4° | 96.6° |
| O | C | CA | HA | 176.4° | 140.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 121.3° | 118.8° |
| C | CA | N | HA | 116.7° | 122.3° |
| C | CA | N | CD | 132.7° | 158.3° |
| C | CA | N | H | 107.3° | 82.2° |
| C | CA | CB | HA | 116.6° | 122.3° |
| C | CA | CB | CG | 155.6° | 142.6° |
| C | CA | CB | HB | 35.6° | 23.8° |
| C | CA | CB | HBA | 84.4° | 98.4° |
| CA | C | OXT | HXT | 180.0° | 179.7° |
| OXT | C | CA | N | 125.9° | 161.7° |
| OXT | C | CA | CB | 118.6° | 83.1° |
| OXT | C | CA | HA | 3.6° | 39.4° |
| CA | N | CD | H | 120.0° | 119.6° |
| N | CA | CB | HA | 122.2° | 118.9° |
| N | CA | CB | CG | 34.4° | 23.8° |
| N | CA | CB | HB | 85.6° | 95.0° |
| N | CA | CB | HBA | 154.4° | 142.8° |
| CA | N | CD | CG | 15.7° | 39.5° |
| CA | N | CD | HD | 135.6° | 79.3° |
| CA | N | CD | HDA | 104.3° | 158.2° |
| N | CD | CG | O2 | 89.1° | 142.8° |
| CD | N | CA | CB | 11.4° | 39.5° |
| CD | N | CA | HA | 110.7° | 79.5° |
| N | CD | CG | CB | 36.8° | 23.9° |
| N | CD | CG | HD | 120.0° | 118.8° |
| N | CD | CG | HDA | 120.0° | 118.8° |
| N | CD | HD | HDA | 122.8° | 122.5° |
| N | CD | CG | HG | 157.3° | 95.1° |
| H | N | CA | CB | 131.4° | 159.0° |
| H | N | CA | HA | 9.3° | 40.1° |
| H | N | CD | CG | 104.3° | 159.0° |
| H | N | CD | HD | 15.7° | 40.3° |
| H | N | CD | HDA | 135.7° | 82.2° |
| N1 | O2 | CG | CB | 91.1° | 155.0° |
| N1 | O2 | CG | CD | 151.2° | 89.3° |
| N1 | O2 | CG | HG | 28.9° | 32.9° |
| O2 | N1 | C13 | C12 | 177.4° | 180.0° |
| O2 | N1 | C13 | H13 | 2.6° | 0.0° |
| C13 | N1 | O2 | CG | 48.5° | 180.0° |
| N1 | C13 | C12 | C10 | 116.8° | 179.9° |
| N1 | C13 | C12 | C11 | 61.6° | 0.3° |
| N1 | C13 | C12 | H13 | 180.0° | 180.0° |
| O2 | CG | CB | CA | 79.4° | 118.9° |
| O2 | CG | CB | CD | 123.7° | 118.9° |
| O2 | CG | CB | HG | 113.4° | 122.1° |
| O2 | CG | CB | HB | 160.6° | 122.2° |
| O2 | CG | CB | HBA | 40.6° | 0.1° |
| O2 | CG | CD | HG | 113.6° | 122.1° |
| O2 | CG | CD | HD | 30.9° | 24.0° |
| O2 | CG | CD | HDA | 150.9° | 98.4° |
| O4 | C4 | H4 | H4A | 120.0° | 120.0° |
| O4 | C4 | H4 | H4B | 120.0° | 120.0° |
| O4 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | O4 | C7 | C6 | 130.1° | 180.0° |
| C4 | O4 | C7 | C10 | 51.3° | 0.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| H4 | C4 | O4 | C7 | 180.0° | 60.0° |
| H4A | C4 | O4 | C7 | 60.0° | 60.0° |
| H4B | C4 | O4 | C7 | 60.0° | 180.0° |
| O4 | C7 | C6 | O5 | 0.4° | 0.0° |
| O4 | C7 | C6 | C10 | 178.5° | 179.9° |
| O4 | C7 | C6 | C9 | 178.7° | 179.8° |
| O4 | C7 | C10 | C12 | 178.5° | 180.0° |
| O4 | C7 | C10 | H10 | 1.5° | 0.1° |
| O5 | C6 | C7 | C9 | 179.1° | 179.8° |
| O5 | C6 | C7 | C10 | 178.9° | 179.9° |
| O5 | C6 | C9 | C11 | 179.0° | 180.0° |
| O5 | C6 | C9 | H9 | 1.0° | 0.1° |
| C6 | O5 | C14 | H14 | 180.0° | 60.1° |
| C6 | O5 | C14 | H14A | 60.0° | 59.9° |
| C6 | O5 | C14 | H14B | 60.0° | 180.0° |
| C14 | O5 | C6 | C7 | 106.9° | 180.0° |
| C14 | O5 | C6 | C9 | 74.0° | 0.2° |
| O5 | C14 | H14 | H14A | 120.0° | 120.0° |
| O5 | C14 | H14 | H14B | 120.0° | 119.9° |
| O5 | C14 | H14A | H14B | 120.0° | 120.0° |
| C7 | C6 | C9 | C11 | 0.1° | 0.2° |
| C7 | C6 | C9 | H9 | 179.9° | 179.7° |
| C6 | C7 | C10 | C12 | 0.0° | 0.1° |
| C6 | C7 | C10 | H10 | 180.0° | 180.0° |
| C9 | C6 | C7 | C10 | 0.2° | 0.3° |
| C6 | C9 | C11 | H9 | 180.0° | 179.9° |
| C6 | C9 | C11 | C12 | 0.1° | 0.0° |
| C6 | C9 | C11 | H11 | 180.0° | 180.0° |
| C7 | C10 | C12 | H10 | 180.0° | 179.9° |
| C7 | C10 | C12 | C11 | 0.2° | 0.2° |
| C7 | C10 | C12 | C13 | 178.1° | 180.0° |
| C9 | C11 | C12 | C10 | 0.2° | 0.3° |
| C9 | C11 | C12 | H11 | 180.0° | 180.0° |
| C9 | C11 | C12 | C13 | 178.1° | 180.0° |
| H9 | C9 | C11 | C12 | 179.9° | 180.0° |
| H9 | C9 | C11 | H11 | 0.0° | 0.1° |
| CA | CB | CG | HB | 120.0° | 118.9° |
| CA | CB | CG | HBA | 120.0° | 118.9° |
| CA | CB | HB | HBA | 122.8° | 122.2° |
| CA | CB | CG | CD | 44.3° | 0.0° |
| CA | CB | CG | HG | 167.2° | 119.0° |
| HA | CA | CB | CG | 87.8° | 95.0° |
| HA | CA | CB | HB | 152.2° | 146.1° |
| HA | CA | CB | HBA | 32.2° | 23.9° |
| CG | CB | HB | HBA | 122.8° | 122.3° |
| CB | CG | CD | HG | 120.6° | 119.0° |
| CB | CG | CD | HD | 156.8° | 94.9° |
| CB | CG | CD | HDA | 83.2° | 142.7° |
| HB | CB | CG | CD | 75.7° | 118.9° |
| HB | CB | CG | HG | 47.2° | 0.1° |
| HBA | CB | CG | CD | 164.3° | 118.9° |
| HBA | CB | CG | HG | 72.8° | 122.1° |
| CG | CD | HD | HDA | 122.8° | 122.4° |
| HD | CD | CG | HG | 82.7° | 146.1° |
| HDA | CD | CG | HG | 37.3° | 23.7° |
| C10 | C12 | C11 | C13 | 178.4° | 179.8° |
| C10 | C12 | C11 | H11 | 179.8° | 179.8° |
| C10 | C12 | C13 | H13 | 63.2° | 0.0° |
| H10 | C10 | C12 | C11 | 179.8° | 179.7° |
| H10 | C10 | C12 | C13 | 1.8° | 0.0° |
| C11 | C12 | C13 | H13 | 118.5° | 179.7° |
| H11 | C11 | C12 | C13 | 1.8° | 0.0° |
| H14 | C14 | H14A | H14B | 119.9° | 120.0° |
