33W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB | C1 | sing | 1.51Å | 1.48Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| C1 | S2 | sing | 1.76Å | 1.73Å | Aromatic |
| C1 | C5 | doub | 1.33Å | 1.37Å | Aromatic |
| S2 | C3 | sing | 1.76Å | 1.72Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.34Å | 1.34Å | Aromatic |
| C3 | BR | sing | 1.89Å | 1.88Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.58Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | 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 | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | 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) |
| C1 | CB | CA | 112.2° | 109.5° |
| CB | C1 | S2 | 122.3° | 125.2° |
| CB | C1 | C5 | 126.9° | 125.2° |
| C1 | CB | HB3 | 108.8° | 109.4° |
| C1 | CB | HB2 | 108.8° | 109.5° |
| CB | CA | N | 109.8° | 109.5° |
| CB | CA | C | 107.8° | 109.5° |
| CB | CA | HA | 108.0° | 109.5° |
| CA | CB | HB3 | 108.8° | 109.5° |
| CA | CB | HB2 | 108.8° | 109.5° |
| S2 | C1 | C5 | 110.8° | 109.6° |
| C1 | S2 | C3 | 90.8° | 91.0° |
| C1 | C5 | C4 | 113.5° | 114.9° |
| C1 | C5 | H5 | 123.3° | 122.5° |
| S2 | C3 | C4 | 113.4° | 109.6° |
| S2 | C3 | BR | 119.6° | 125.2° |
| C5 | C4 | C3 | 111.6° | 114.9° |
| C5 | C4 | H4 | 124.2° | 122.5° |
| C4 | C5 | H5 | 123.3° | 122.6° |
| C4 | C3 | BR | 127.0° | 125.2° |
| C3 | C4 | H4 | 124.2° | 122.6° |
| N | CA | C | 114.4° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 109.0° | 109.5° |
| CA | C | O | 118.5° | 120.0° |
| CA | C | OXT | 116.0° | 120.0° |
| C | CA | HA | 107.7° | 109.4° |
| O | C | OXT | 125.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.1° |
| HB3 | CB | HB2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | CB | CA | HB3 | 120.4° | 120.0° |
| C1 | CB | CA | HB2 | 120.4° | 120.0° |
| CB | C1 | S2 | C5 | 179.4° | 180.0° |
| CB | C1 | S2 | C3 | 179.1° | 179.8° |
| CB | C1 | C5 | C4 | 179.1° | 180.0° |
| C1 | CB | CA | N | 66.9° | 65.0° |
| C1 | CB | CA | C | 58.3° | 175.0° |
| CB | C1 | C5 | H5 | 0.9° | 0.0° |
| C1 | CB | CA | HA | 174.4° | 55.1° |
| C1 | CB | HB3 | HB2 | 118.7° | 120.0° |
| CA | CB | C1 | S2 | 96.9° | 90.0° |
| CA | CB | C1 | C5 | 82.4° | 90.0° |
| CB | CA | N | C | 121.3° | 120.0° |
| CB | CA | N | HA | 118.1° | 120.0° |
| CB | CA | C | HA | 116.3° | 120.0° |
| CB | CA | C | O | 58.7° | 100.0° |
| CB | CA | C | OXT | 121.5° | 80.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CA | CB | HB3 | HB2 | 118.8° | 120.0° |
| S2 | C1 | C5 | C4 | 0.2° | 0.0° |
| C1 | S2 | C3 | C4 | 0.3° | 0.3° |
| C1 | S2 | C3 | BR | 179.1° | 179.8° |
| S2 | C1 | C5 | H5 | 179.8° | 180.0° |
| S2 | C1 | CB | HB3 | 142.7° | 150.0° |
| S2 | C1 | CB | HB2 | 23.6° | 30.1° |
| C5 | C1 | S2 | C3 | 0.3° | 0.2° |
| C1 | C5 | C4 | H5 | 180.0° | 180.0° |
| C1 | C5 | C4 | C3 | 0.0° | 0.2° |
| C1 | C5 | C4 | H4 | 180.0° | 179.9° |
| C5 | C1 | CB | HB3 | 38.0° | 30.0° |
| C5 | C1 | CB | HB2 | 157.2° | 150.0° |
| S2 | C3 | C4 | C5 | 0.2° | 0.3° |
| S2 | C3 | C4 | BR | 179.4° | 179.9° |
| S2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C5 | C4 | C3 | H4 | 180.0° | 179.7° |
| C5 | C4 | C3 | BR | 179.2° | 179.7° |
| C3 | C4 | C5 | H5 | 180.0° | 179.7° |
| BR | C3 | C4 | H4 | 0.8° | 0.0° |
| N | CA | C | HA | 121.3° | 120.0° |
| N | CA | C | O | 178.9° | 20.0° |
| N | CA | C | OXT | 0.9° | 160.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB3 | 53.5° | 55.0° |
| N | CA | CB | HB2 | 172.7° | 175.0° |
| CA | C | O | OXT | 179.8° | 180.0° |
| C | CA | N | H | 58.7° | 59.9° |
| C | CA | N | H2 | 61.3° | 176.0° |
| C | CA | CB | HB3 | 178.7° | 65.0° |
| C | CA | CB | HB2 | 62.1° | 55.0° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| O | C | CA | HA | 57.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 122.2° | 40.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| H | N | CA | HA | 62.0° | 179.9° |
| H2 | N | CA | HA | 178.1° | 56.0° |
| HA | CA | CB | HB3 | 65.2° | 175.0° |
| HA | CA | CB | HB2 | 54.0° | 65.0° |
