01W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | N3 | doub | 1.22Å | 1.22Å | |
| N3 | O32 | sing | 1.22Å | 1.22Å | |
| N3 | C3 | sing | 1.48Å | 1.41Å | |
| O52 | N5 | sing | 1.22Å | 1.22Å | |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | C5 | sing | 1.48Å | 1.41Å | |
| N5 | O5 | doub | 1.22Å | 1.21Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | N13 | sing | 1.40Å | 1.36Å | |
| C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| N13 | C1 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | CB | sing | 1.53Å | 1.52Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| CB | H1B | sing | 1.09Å | 1.10Å | |
| CB | H2B | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | N3 | O32 | 119.3° | 120.0° |
| O3 | N3 | C3 | 120.5° | 120.0° |
| O32 | N3 | C3 | 120.2° | 120.0° |
| N3 | C3 | C4 | 120.3° | 120.1° |
| N3 | C3 | C2 | 119.7° | 120.0° |
| O52 | N5 | C5 | 121.0° | 120.0° |
| O52 | N5 | O5 | 119.1° | 120.0° |
| C3 | C4 | C5 | 120.4° | 120.1° |
| C4 | C3 | C2 | 120.0° | 120.0° |
| C3 | C4 | H4 | 119.8° | 120.0° |
| C4 | C5 | N5 | 121.0° | 120.0° |
| C4 | C5 | C6 | 119.3° | 120.1° |
| C5 | C4 | H4 | 119.8° | 119.9° |
| C3 | C2 | N13 | 119.6° | 120.1° |
| C3 | C2 | C7 | 119.8° | 119.8° |
| C5 | N5 | O5 | 119.9° | 120.0° |
| N5 | C5 | C6 | 119.7° | 119.9° |
| C5 | C6 | C7 | 120.2° | 120.1° |
| C5 | C6 | H6 | 119.9° | 119.9° |
| N13 | C2 | C7 | 120.5° | 120.1° |
| C2 | N13 | C1 | 121.2° | 120.0° |
| C2 | N13 | HN13 | 106.5° | 120.0° |
| C2 | C7 | C6 | 120.2° | 119.9° |
| C2 | C7 | H7 | 119.9° | 120.0° |
| N13 | C1 | CB | 112.1° | 109.5° |
| C1 | N13 | HN13 | 106.5° | 120.0° |
| N13 | C1 | H11 | 108.8° | 109.4° |
| N13 | C1 | H21 | 108.8° | 109.5° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C6 | C7 | H7 | 119.9° | 120.1° |
| C1 | CB | CA | 109.9° | 109.5° |
| CB | C1 | H11 | 108.8° | 109.5° |
| CB | C1 | H21 | 108.8° | 109.5° |
| C1 | CB | H1B | 109.3° | 109.5° |
| C1 | CB | H2B | 109.4° | 109.5° |
| CB | CA | C | 109.0° | 109.5° |
| CB | CA | N | 107.9° | 109.5° |
| CA | CB | H1B | 109.3° | 109.5° |
| CA | CB | H2B | 109.4° | 109.5° |
| CB | CA | HA | 110.4° | 109.5° |
| C | CA | N | 107.7° | 109.4° |
| CA | C | O | 120.4° | 120.0° |
| CA | C | OXT | 117.3° | 120.0° |
| C | CA | HA | 110.5° | 109.5° |
| N | CA | HA | 111.4° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| O | C | OXT | 122.3° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H11 | C1 | H21 | 109.5° | 109.5° |
| H1B | CB | H2B | 109.5° | 109.4° |
| H | N | H2 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | N3 | O32 | C3 | 179.6° | 180.0° |
| O3 | N3 | C3 | C4 | 31.1° | 142.6° |
| O3 | N3 | C3 | C2 | 148.4° | 37.5° |
| O32 | N3 | C3 | C4 | 148.5° | 37.4° |
| O32 | N3 | C3 | C2 | 32.0° | 142.5° |
| N3 | C3 | C4 | C2 | 179.5° | 179.9° |
| N3 | C3 | C4 | C5 | 179.9° | 180.0° |
| N3 | C3 | C2 | N13 | 0.2° | 0.1° |
| N3 | C3 | C2 | C7 | 179.9° | 179.7° |
| N3 | C3 | C4 | H4 | 0.1° | 0.1° |
| O52 | N5 | C5 | C4 | 5.1° | 179.7° |
| O52 | N5 | C5 | O5 | 178.9° | 179.7° |
| O52 | N5 | C5 | C6 | 174.0° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | N5 | 179.5° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.2° |
| C4 | C3 | C2 | N13 | 179.7° | 180.0° |
| C4 | C3 | C2 | C7 | 0.4° | 0.4° |
| C5 | C4 | C3 | C2 | 0.6° | 0.1° |
| C4 | C5 | N5 | C6 | 179.1° | 179.7° |
| C4 | C5 | N5 | O5 | 176.0° | 0.6° |
| C4 | C5 | C6 | C7 | 0.1° | 0.2° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| C3 | C2 | N13 | C7 | 179.8° | 179.6° |
| C3 | C2 | N13 | C1 | 162.3° | 173.7° |
| C3 | C2 | C7 | C6 | 0.1° | 0.4° |
| C3 | C2 | C7 | H7 | 179.9° | 179.7° |
| C2 | C3 | C4 | H4 | 179.4° | 180.0° |
| C3 | C2 | N13 | HN13 | 40.6° | 6.2° |
| N5 | C5 | C6 | C7 | 179.2° | 180.0° |
| N5 | C5 | C6 | H6 | 0.9° | 0.0° |
| N5 | C5 | C4 | H4 | 0.5° | 0.0° |
| O5 | N5 | C5 | C6 | 4.9° | 179.7° |
| C5 | C6 | C7 | C2 | 0.1° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C4 | H4 | 179.6° | 179.7° |
| C2 | N13 | C1 | HN13 | 121.6° | 180.0° |
| N13 | C2 | C7 | C6 | 179.9° | 180.0° |
| C2 | N13 | C1 | CB | 67.0° | 180.0° |
| N13 | C2 | C7 | H7 | 0.1° | 0.1° |
| C2 | N13 | C1 | H11 | 172.6° | 60.0° |
| C2 | N13 | C1 | H21 | 53.3° | 60.0° |
| C7 | C2 | N13 | C1 | 17.9° | 5.9° |
| C2 | C7 | C6 | H7 | 180.0° | 179.9° |
| C2 | C7 | C6 | H6 | 179.9° | 180.0° |
| C7 | C2 | N13 | HN13 | 139.5° | 174.2° |
| N13 | C1 | CB | H11 | 120.4° | 119.9° |
| N13 | C1 | CB | H21 | 120.4° | 120.0° |
| N13 | C1 | CB | CA | 168.0° | 180.0° |
| N13 | C1 | H11 | H21 | 118.8° | 120.0° |
| N13 | C1 | CB | H1B | 48.0° | 60.0° |
| N13 | C1 | CB | H2B | 71.9° | 60.0° |
| C1 | CB | CA | H1B | 120.1° | 120.0° |
| C1 | CB | CA | H2B | 120.1° | 120.0° |
| C1 | CB | CA | C | 66.6° | 175.0° |
| C1 | CB | CA | N | 176.7° | 65.0° |
| CB | C1 | N13 | HN13 | 54.6° | 0.0° |
| CB | C1 | H11 | H21 | 118.8° | 120.0° |
| C1 | CB | H1B | H2B | 119.8° | 120.0° |
| C1 | CB | CA | HA | 54.8° | 55.0° |
| CB | CA | C | N | 116.7° | 120.0° |
| CB | CA | C | HA | 121.4° | 120.0° |
| CB | CA | N | HA | 121.3° | 120.0° |
| CB | CA | C | O | 78.2° | 100.0° |
| CB | CA | C | OXT | 100.8° | 80.0° |
| CA | CB | C1 | H11 | 71.6° | 60.0° |
| CA | CB | C1 | H21 | 47.7° | 60.0° |
| CA | CB | H1B | H2B | 119.8° | 120.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| C | CA | N | HA | 121.3° | 120.0° |
| CA | C | O | OXT | 179.0° | 180.0° |
| C | CA | CB | H1B | 53.4° | 55.0° |
| C | CA | CB | H2B | 173.3° | 65.0° |
| C | CA | N | H | 62.5° | 64.0° |
| C | CA | N | H2 | 57.5° | 60.0° |
| CA | C | OXT | HXT | 179.0° | 180.0° |
| N | CA | C | O | 38.5° | 20.0° |
| N | CA | C | OXT | 142.5° | 160.0° |
| N | CA | CB | H1B | 63.2° | 174.9° |
| N | CA | CB | H2B | 56.6° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| O | C | CA | HA | 160.4° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 20.6° | 40.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.1° |
| HN13 | N13 | C1 | H11 | 65.8° | 120.0° |
| HN13 | N13 | C1 | H21 | 175.0° | 120.0° |
| H11 | C1 | CB | H1B | 168.4° | 180.0° |
| H11 | C1 | CB | H2B | 48.5° | 60.0° |
| H21 | C1 | CB | H1B | 72.4° | 60.0° |
| H21 | C1 | CB | H2B | 167.8° | 180.0° |
| H1B | CB | CA | HA | 174.9° | 65.0° |
| H2B | CB | CA | HA | 65.3° | 175.0° |
| HA | CA | N | H | 58.7° | 55.9° |
| HA | CA | N | H2 | 178.7° | 180.0° |
