4OG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | S3 | sing | 1.76Å | 1.74Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| S3 | C2 | sing | 1.75Å | 1.72Å | Aromatic |
| C8 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| C9 | C1 | sing | 1.45Å | 1.44Å | Aromatic |
| C2 | C1 | doub | 1.32Å | 1.32Å | Aromatic |
| C1 | CB | sing | 1.51Å | 1.50Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 120.4° | 120.2° |
| C6 | C7 | C4 | 119.1° | 120.2° |
| C7 | C6 | H5 | 119.8° | 119.9° |
| C6 | C7 | H3 | 120.5° | 119.9° |
| C6 | C5 | C8 | 120.6° | 120.6° |
| C6 | C5 | H1 | 119.7° | 119.7° |
| C5 | C6 | H5 | 119.8° | 119.9° |
| C7 | C4 | S3 | 127.3° | 130.6° |
| C7 | C4 | C9 | 121.6° | 119.8° |
| C4 | C7 | H3 | 120.5° | 120.0° |
| C5 | C8 | C9 | 120.4° | 120.5° |
| C8 | C5 | H1 | 119.7° | 119.7° |
| C5 | C8 | H4 | 119.8° | 119.8° |
| S3 | C4 | C9 | 111.1° | 109.6° |
| C4 | S3 | C2 | 91.9° | 92.2° |
| C4 | C9 | C8 | 117.9° | 118.8° |
| C4 | C9 | C1 | 109.0° | 111.9° |
| S3 | C2 | C1 | 111.4° | 111.4° |
| S3 | C2 | H11 | 124.3° | 124.3° |
| C8 | C9 | C1 | 133.1° | 129.4° |
| C9 | C8 | H4 | 119.8° | 119.8° |
| C9 | C1 | C2 | 116.6° | 114.9° |
| C9 | C1 | CB | 126.7° | 122.6° |
| C2 | C1 | CB | 116.7° | 122.5° |
| C1 | C2 | H11 | 124.3° | 124.3° |
| C1 | CB | CA | 114.8° | 109.5° |
| C1 | CB | H9 | 108.1° | 109.4° |
| C1 | CB | H10 | 108.1° | 109.5° |
| CB | CA | C | 112.3° | 109.4° |
| CB | CA | N | 110.7° | 109.5° |
| CB | CA | HA | 107.9° | 109.5° |
| CA | CB | H9 | 108.1° | 109.5° |
| CA | CB | H10 | 108.1° | 109.5° |
| O | C | CA | 117.4° | 119.9° |
| O | C | OXT | 125.8° | 120.1° |
| C | CA | N | 109.5° | 109.5° |
| CA | C | OXT | 116.7° | 120.0° |
| C | CA | HA | 107.9° | 109.5° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
| H9 | CB | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C7 | C4 | H3 | 180.0° | 180.0° |
| C7 | C6 | C5 | C8 | 0.1° | 0.4° |
| C6 | C7 | C4 | S3 | 179.8° | 180.0° |
| C6 | C7 | C4 | C9 | 0.1° | 0.2° |
| C7 | C6 | C5 | H1 | 179.9° | 179.9° |
| C5 | C6 | C7 | C4 | 0.1° | 0.0° |
| C6 | C5 | C8 | H1 | 180.0° | 179.6° |
| C6 | C5 | C8 | C9 | 0.1° | 0.4° |
| C5 | C6 | C7 | H3 | 179.9° | 179.9° |
| C6 | C5 | C8 | H4 | 179.9° | 180.0° |
| C7 | C4 | S3 | C9 | 179.7° | 179.8° |
| C7 | C4 | S3 | C2 | 179.5° | 179.7° |
| C7 | C4 | C9 | C8 | 0.3° | 0.2° |
| C7 | C4 | C9 | C1 | 179.4° | 179.8° |
| C4 | C7 | C6 | H5 | 179.9° | 180.0° |
| C5 | C8 | C9 | C4 | 0.3° | 0.1° |
| C5 | C8 | C9 | H4 | 180.0° | 179.6° |
| C5 | C8 | C9 | C1 | 179.3° | 179.9° |
| C8 | C5 | C6 | H5 | 179.8° | 179.7° |
| S3 | C4 | C9 | C8 | 180.0° | 180.0° |
| S3 | C4 | C9 | C1 | 0.3° | 0.0° |
| C4 | S3 | C2 | C1 | 0.1° | 0.0° |
| S3 | C4 | C7 | H3 | 0.2° | 0.1° |
| C4 | S3 | C2 | H11 | 179.9° | 180.0° |
| C9 | C4 | S3 | C2 | 0.2° | 0.0° |
| C4 | C9 | C8 | C1 | 179.5° | 179.9° |
| C4 | C9 | C1 | C2 | 0.4° | 0.0° |
| C4 | C9 | C1 | CB | 178.4° | 180.0° |
| C9 | C4 | C7 | H3 | 179.9° | 179.8° |
| C4 | C9 | C8 | H4 | 179.7° | 179.7° |
| S3 | C2 | C1 | C9 | 0.3° | 0.0° |
| S3 | C2 | C1 | H11 | 180.0° | 180.0° |
| S3 | C2 | C1 | CB | 178.6° | 180.0° |
| C8 | C9 | C1 | C2 | 180.0° | 180.0° |
| C8 | C9 | C1 | CB | 1.2° | 0.0° |
| C9 | C8 | C5 | H1 | 179.9° | 180.0° |
| C9 | C1 | C2 | CB | 178.9° | 180.0° |
| C9 | C1 | CB | CA | 84.0° | 85.0° |
| C1 | C9 | C8 | H4 | 0.7° | 0.3° |
| C9 | C1 | CB | H9 | 155.3° | 35.0° |
| C9 | C1 | CB | H10 | 36.8° | 154.9° |
| C9 | C1 | C2 | H11 | 179.7° | 180.0° |
| C2 | C1 | CB | CA | 97.2° | 95.0° |
| C2 | C1 | CB | H9 | 23.5° | 145.0° |
| C2 | C1 | CB | H10 | 142.0° | 25.1° |
| C1 | CB | CA | H9 | 120.8° | 120.0° |
| C1 | CB | CA | H10 | 120.8° | 120.1° |
| C1 | CB | CA | C | 62.6° | 175.0° |
| C1 | CB | CA | N | 60.2° | 65.0° |
| C1 | CB | CA | HA | 178.7° | 55.1° |
| C1 | CB | H9 | H10 | 117.6° | 120.0° |
| CB | C1 | C2 | H11 | 1.4° | 0.0° |
| CB | CA | C | O | 60.6° | 100.0° |
| CB | CA | C | N | 123.5° | 120.0° |
| CB | CA | C | HA | 118.7° | 120.0° |
| CB | CA | N | HA | 118.2° | 120.0° |
| CB | CA | C | OXT | 119.8° | 80.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H9 | H10 | 117.6° | 120.0° |
| O | C | CA | OXT | 179.5° | 179.9° |
| O | C | CA | N | 175.9° | 19.9° |
| O | C | CA | HA | 58.1° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | HA | 117.5° | 120.0° |
| C | CA | N | H | 55.6° | 64.0° |
| C | CA | N | H2 | 64.4° | 60.0° |
| C | CA | CB | H9 | 176.7° | 65.0° |
| C | CA | CB | H10 | 58.2° | 55.0° |
| CA | C | OXT | HXT | 179.5° | 180.0° |
| N | CA | C | OXT | 3.6° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H9 | 60.6° | 55.0° |
| N | CA | CB | H10 | 179.1° | 174.9° |
| OXT | C | CA | HA | 121.4° | 39.9° |
| H1 | C5 | C6 | H5 | 0.1° | 0.1° |
| H1 | C5 | C8 | H4 | 0.1° | 0.4° |
| H5 | C6 | C7 | H3 | 0.1° | 0.0° |
| H | N | CA | HA | 61.8° | 56.0° |
| H2 | N | CA | HA | 178.1° | 180.0° |
| HA | CA | CB | H9 | 57.9° | 175.0° |
| HA | CA | CB | H10 | 60.6° | 65.0° |
