CUD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C2 | sing | 1.33Å | 1.36Å | |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| N4 | C4 | sing | 1.37Å | 1.33Å | |
| C5 | C4 | sing | 1.41Å | 1.42Å | |
| C4 | N3 | doub | 1.33Å | 1.36Å | |
| H5 | C5 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| H6 | C6 | sing | 1.08Å | 1.08Å | |
| C6 | N1 | sing | 1.36Å | 1.36Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| HA | CA | sing | 1.09Å | 1.10Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| N1 | CB | sing | 1.46Å | 1.46Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| HN4A | N4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| OXT | C | sing | 1.34Å | 1.31Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C2 | N1 | 118.3° | 121.1° |
| N3 | C2 | O2 | 121.3° | 119.5° |
| C2 | N3 | C4 | 117.7° | 120.7° |
| N1 | C2 | O2 | 120.3° | 119.4° |
| C2 | N1 | C6 | 122.8° | 120.3° |
| C2 | N1 | CB | 118.2° | 119.8° |
| N4 | C4 | C5 | 119.6° | 120.2° |
| N4 | C4 | N3 | 115.6° | 120.1° |
| C4 | N4 | HN4A | 109.4° | 120.0° |
| C4 | N4 | HN4 | 125.3° | 120.1° |
| C5 | C4 | N3 | 124.8° | 119.6° |
| C4 | C5 | H5 | 122.4° | 120.5° |
| C4 | C5 | C6 | 115.3° | 119.0° |
| H5 | C5 | C6 | 122.3° | 120.5° |
| C5 | C6 | H6 | 119.6° | 120.4° |
| C5 | C6 | N1 | 120.7° | 119.3° |
| H6 | C6 | N1 | 119.7° | 120.3° |
| C6 | N1 | CB | 119.0° | 119.8° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 110.8° | 109.4° |
| N | CA | CB | 106.1° | 109.5° |
| N | CA | C | 110.2° | 109.4° |
| H | N | H2 | 109.4° | 111.0° |
| HA | CA | CB | 112.8° | 109.5° |
| HA | CA | C | 108.7° | 109.5° |
| CB | CA | C | 108.2° | 109.5° |
| CA | CB | N1 | 112.7° | 109.5° |
| CA | CB | HB | 108.4° | 109.5° |
| CA | CB | HBA | 107.7° | 109.5° |
| CA | C | OXT | 114.0° | 120.0° |
| CA | C | O | 120.1° | 120.0° |
| N1 | CB | HB | 108.4° | 109.5° |
| N1 | CB | HBA | 107.7° | 109.4° |
| HB | CB | HBA | 112.1° | 109.5° |
| HN4A | N4 | HN4 | 125.3° | 119.9° |
| OXT | C | O | 125.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C2 | N1 | O2 | 177.6° | 179.8° |
| C2 | N3 | C4 | N4 | 172.1° | 179.9° |
| C2 | N3 | C4 | C5 | 7.9° | 0.0° |
| N3 | C2 | N1 | C6 | 2.5° | 0.3° |
| N3 | C2 | N1 | CB | 177.0° | 179.8° |
| N1 | C2 | N3 | C4 | 5.9° | 0.3° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| C2 | N1 | C6 | H6 | 179.5° | 179.7° |
| C2 | N1 | C6 | CB | 179.5° | 180.0° |
| C2 | N1 | CB | CA | 115.2° | 90.0° |
| C2 | N1 | CB | HB | 124.8° | 150.0° |
| C2 | N1 | CB | HBA | 3.4° | 30.0° |
| O2 | C2 | N3 | C4 | 176.6° | 180.0° |
| O2 | C2 | N1 | C6 | 179.9° | 180.0° |
| O2 | C2 | N1 | CB | 0.5° | 0.0° |
| N4 | C4 | C5 | N3 | 179.9° | 179.9° |
| N4 | C4 | C5 | H5 | 5.8° | 0.0° |
| N4 | C4 | C5 | C6 | 174.3° | 179.7° |
| C4 | N4 | HN4A | HN4 | 180.0° | 180.0° |
| C4 | C5 | H5 | C6 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 178.1° | 180.0° |
| C4 | C5 | C6 | N1 | 1.9° | 0.2° |
| C5 | C4 | N4 | HN4A | 0.0° | 0.1° |
| C5 | C4 | N4 | HN4 | 180.0° | 180.0° |
| N3 | C4 | C5 | H5 | 174.2° | 179.9° |
| N3 | C4 | C5 | C6 | 5.8° | 0.2° |
| N3 | C4 | N4 | HN4A | 179.9° | 180.0° |
| N3 | C4 | N4 | HN4 | 0.0° | 0.1° |
| H5 | C5 | C6 | H6 | 1.9° | 0.3° |
| H5 | C5 | C6 | N1 | 178.1° | 179.9° |
| C5 | C6 | H6 | N1 | 180.0° | 179.7° |
| C5 | C6 | N1 | CB | 179.0° | 180.0° |
| H6 | C6 | N1 | CB | 0.9° | 0.2° |
| C6 | N1 | CB | CA | 64.4° | 90.0° |
| C6 | N1 | CB | HB | 55.6° | 30.0° |
| C6 | N1 | CB | HBA | 177.0° | 150.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | HA | CB | 118.7° | 120.0° |
| N | CA | HA | C | 121.3° | 119.9° |
| N | CA | CB | C | 118.2° | 120.0° |
| N | CA | CB | N1 | 75.1° | 55.0° |
| N | CA | CB | HB | 164.9° | 175.0° |
| N | CA | CB | HBA | 43.5° | 65.0° |
| N | CA | C | OXT | 155.5° | 160.0° |
| N | CA | C | O | 25.9° | 20.0° |
| H | N | CA | HA | 176.9° | 180.0° |
| H | N | CA | CB | 60.4° | 60.0° |
| H | N | CA | C | 56.5° | 60.0° |
| H2 | N | CA | HA | 56.9° | 56.0° |
| H2 | N | CA | CB | 179.6° | 176.1° |
| H2 | N | CA | C | 63.5° | 63.9° |
| HA | CA | CB | C | 120.3° | 120.0° |
| HA | CA | CB | N1 | 46.3° | 65.0° |
| HA | CA | CB | HB | 73.7° | 55.0° |
| HA | CA | CB | HBA | 164.9° | 175.0° |
| HA | CA | C | OXT | 33.8° | 40.1° |
| HA | CA | C | O | 147.6° | 140.0° |
| CA | CB | N1 | HB | 120.0° | 120.0° |
| CA | CB | N1 | HBA | 118.6° | 120.0° |
| CA | CB | HB | HBA | 118.7° | 120.0° |
| CB | CA | C | OXT | 89.0° | 80.0° |
| CB | CA | C | O | 89.6° | 100.0° |
| C | CA | CB | N1 | 166.6° | 175.0° |
| C | CA | CB | HB | 46.7° | 65.0° |
| C | CA | CB | HBA | 74.8° | 55.0° |
| CA | C | OXT | O | 178.5° | 179.9° |
| CA | C | OXT | HXT | 178.5° | 179.9° |
| N1 | CB | HB | HBA | 118.7° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
