4OZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C38 | doub | 1.39Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.37Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.40Å | 1.38Å | Aromatic |
| C39 | O51 | sing | 1.36Å | 1.36Å | |
| C39 | C40 | doub | 1.39Å | 1.37Å | Aromatic |
| C35 | C40 | sing | 1.40Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.48Å | 1.49Å | |
| O48 | C34 | doub | 1.22Å | 1.22Å | |
| C40 | O50 | sing | 1.36Å | 1.35Å | |
| C34 | N | sing | 1.35Å | 1.35Å | |
| O26 | C25 | doub | 1.21Å | 1.22Å | |
| C25 | OG | sing | 1.34Å | 1.46Å | |
| OG | CB | sing | 1.45Å | 1.43Å | |
| N | CA | sing | 1.46Å | 1.46Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | OXT | doub | 1.21Å | 1.22Å | |
| C | O | sing | 1.34Å | 1.46Å | |
| O | C15 | sing | 1.45Å | 1.44Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.08Å | 1.08Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C36 | H9 | sing | 1.08Å | 1.08Å | |
| C37 | H10 | sing | 1.08Å | 1.08Å | |
| C38 | H11 | sing | 1.08Å | 1.08Å | |
| O50 | H12 | sing | 0.97Å | 0.95Å | |
| O51 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C37 | C36 | 120.9° | 120.4° |
| C37 | C38 | C39 | 119.8° | 120.3° |
| C38 | C37 | H10 | 119.6° | 119.8° |
| C37 | C38 | H11 | 120.1° | 119.8° |
| C37 | C36 | C35 | 119.4° | 120.0° |
| C37 | C36 | H9 | 120.3° | 120.0° |
| C36 | C37 | H10 | 119.5° | 119.8° |
| C38 | C39 | O51 | 120.2° | 120.0° |
| C38 | C39 | C40 | 118.7° | 120.0° |
| C39 | C38 | H11 | 120.1° | 119.9° |
| C36 | C35 | C40 | 119.9° | 119.7° |
| C36 | C35 | C34 | 120.1° | 120.2° |
| C35 | C36 | H9 | 120.3° | 120.0° |
| O51 | C39 | C40 | 121.1° | 120.0° |
| C39 | O51 | H13 | 109.5° | 114.0° |
| C39 | C40 | C35 | 121.2° | 119.7° |
| C39 | C40 | O50 | 119.2° | 120.2° |
| C40 | C35 | C34 | 119.9° | 120.2° |
| C35 | C40 | O50 | 119.6° | 120.2° |
| C35 | C34 | O48 | 117.7° | 120.0° |
| C35 | C34 | N | 116.3° | 120.0° |
| O48 | C34 | N | 126.0° | 120.1° |
| C40 | O50 | H12 | 109.5° | 114.0° |
| C34 | N | CA | 128.1° | 120.0° |
| C34 | N | H | 115.9° | 120.0° |
| O26 | C25 | OG | 120.3° | 120.0° |
| O26 | C25 | H4 | 119.8° | 120.0° |
| C25 | OG | CB | 120.4° | 117.0° |
| OG | C25 | H4 | 119.9° | 120.0° |
| OG | CB | CA | 110.1° | 109.5° |
| OG | CB | HB2 | 109.3° | 109.5° |
| OG | CB | HB3 | 109.3° | 109.5° |
| N | CA | CB | 111.6° | 109.5° |
| N | CA | C | 112.5° | 109.5° |
| N | CA | HA | 106.6° | 109.5° |
| CA | N | H | 115.9° | 120.0° |
| CB | CA | C | 113.5° | 109.5° |
| CA | CB | HB2 | 109.3° | 109.4° |
| CA | CB | HB3 | 109.3° | 109.5° |
| CB | CA | HA | 105.9° | 109.5° |
| CA | C | OXT | 121.0° | 120.0° |
| CA | C | O | 122.4° | 120.0° |
| C | CA | HA | 106.0° | 109.5° |
| OXT | C | O | 116.5° | 120.0° |
| C | O | C15 | 120.2° | 117.0° |
| O | C15 | H1 | 109.5° | 109.4° |
| O | C15 | H2 | 109.5° | 109.5° |
| O | C15 | H3 | 109.4° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H1 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.4° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C37 | C36 | H10 | 180.0° | 180.0° |
| C37 | C38 | C39 | H11 | 180.0° | 179.9° |
| C38 | C37 | C36 | C35 | 0.6° | 0.0° |
| C37 | C38 | C39 | O51 | 179.9° | 180.0° |
| C37 | C38 | C39 | C40 | 0.6° | 0.1° |
| C38 | C37 | C36 | H9 | 179.4° | 180.0° |
| C36 | C37 | C38 | C39 | 0.4° | 0.0° |
| C37 | C36 | C35 | H9 | 180.0° | 180.0° |
| C37 | C36 | C35 | C40 | 1.5° | 0.0° |
| C37 | C36 | C35 | C34 | 178.7° | 179.7° |
| C36 | C37 | C38 | H11 | 179.6° | 180.0° |
| C38 | C39 | O51 | C40 | 179.6° | 180.0° |
| C38 | C39 | C40 | C35 | 0.3° | 0.1° |
| C38 | C39 | C40 | O50 | 178.5° | 179.8° |
| C39 | C38 | C37 | H10 | 179.5° | 180.0° |
| C38 | C39 | O51 | H13 | 180.0° | 90.0° |
| C36 | C35 | C40 | C39 | 1.3° | 0.1° |
| C36 | C35 | C40 | C34 | 177.2° | 179.7° |
| C36 | C35 | C34 | O48 | 7.0° | 179.7° |
| C36 | C35 | C40 | O50 | 177.5° | 179.8° |
| C36 | C35 | C34 | N | 170.3° | 0.3° |
| C35 | C36 | C37 | H10 | 179.5° | 180.0° |
| O51 | C39 | C40 | C35 | 179.3° | 180.0° |
| O51 | C39 | C40 | O50 | 1.9° | 0.2° |
| O51 | C39 | C38 | H11 | 0.1° | 0.1° |
| C39 | C40 | C35 | O50 | 178.8° | 179.8° |
| C39 | C40 | C35 | C34 | 178.6° | 179.7° |
| C40 | C39 | C38 | H11 | 179.4° | 180.0° |
| C39 | C40 | O50 | H12 | 180.0° | 90.3° |
| C40 | C39 | O51 | H13 | 0.4° | 89.9° |
| C40 | C35 | C34 | O48 | 175.7° | 0.0° |
| C40 | C35 | C34 | N | 7.0° | 180.0° |
| C40 | C35 | C36 | H9 | 178.5° | 180.0° |
| C35 | C40 | O50 | H12 | 1.2° | 89.9° |
| C35 | C34 | O48 | N | 177.0° | 180.0° |
| C34 | C35 | C40 | O50 | 0.2° | 0.1° |
| C35 | C34 | N | CA | 173.1° | 180.0° |
| C35 | C34 | N | H | 6.8° | 0.0° |
| C34 | C35 | C36 | H9 | 1.3° | 0.3° |
| O48 | C34 | N | CA | 3.9° | 0.0° |
| O48 | C34 | N | H | 176.1° | 180.0° |
| C34 | N | CA | H | 180.0° | 180.0° |
| C34 | N | CA | CB | 61.7° | 155.0° |
| C34 | N | CA | C | 67.4° | 85.0° |
| C34 | N | CA | HA | 176.8° | 35.0° |
| O26 | C25 | OG | H4 | 180.0° | 179.9° |
| O26 | C25 | OG | CB | 175.0° | 179.9° |
| C25 | OG | CB | CA | 59.9° | 179.9° |
| C25 | OG | CB | HB2 | 180.0° | 60.0° |
| C25 | OG | CB | HB3 | 60.2° | 60.0° |
| OG | CB | CA | N | 68.4° | 65.0° |
| OG | CB | CA | HB2 | 120.1° | 120.0° |
| OG | CB | CA | HB3 | 120.1° | 120.0° |
| OG | CB | CA | C | 163.0° | 55.0° |
| CB | OG | C25 | H4 | 5.0° | 0.1° |
| OG | CB | HB2 | HB3 | 119.7° | 120.0° |
| OG | CB | CA | HA | 47.2° | 175.0° |
| N | CA | CB | C | 128.5° | 120.0° |
| N | CA | CB | HA | 115.6° | 120.0° |
| N | CA | C | HA | 116.1° | 120.0° |
| N | CA | C | OXT | 24.9° | 0.0° |
| N | CA | C | O | 156.6° | 180.0° |
| N | CA | CB | HB2 | 171.5° | 55.0° |
| N | CA | CB | HB3 | 51.7° | 175.0° |
| CB | CA | C | HA | 115.8° | 120.0° |
| CB | CA | C | OXT | 152.9° | 120.0° |
| CB | CA | C | O | 28.5° | 60.0° |
| CA | CB | HB2 | HB3 | 119.7° | 120.0° |
| CB | CA | N | H | 118.4° | 25.0° |
| CA | C | OXT | O | 178.7° | 180.0° |
| CA | C | O | C15 | 139.7° | 180.0° |
| C | CA | CB | HB2 | 42.9° | 175.0° |
| C | CA | CB | HB3 | 76.9° | 65.0° |
| C | CA | N | H | 112.6° | 95.0° |
| OXT | C | O | C15 | 38.9° | 0.1° |
| OXT | C | CA | HA | 91.3° | 120.0° |
| C | O | C15 | H1 | 180.0° | 180.0° |
| C | O | C15 | H2 | 60.0° | 60.0° |
| C | O | C15 | H3 | 60.0° | 60.0° |
| O | C | CA | HA | 87.3° | 60.0° |
| O | C15 | H1 | H2 | 120.0° | 120.0° |
| O | C15 | H1 | H3 | 120.0° | 120.0° |
| O | C15 | H2 | H3 | 119.9° | 120.0° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| HB2 | CB | CA | HA | 72.9° | 65.0° |
| HB3 | CB | CA | HA | 167.3° | 55.0° |
| HA | CA | N | H | 3.2° | 145.0° |
| H9 | C36 | C37 | H10 | 0.6° | 0.0° |
| H10 | C37 | C38 | H11 | 0.5° | 0.1° |
