UKY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NE2 | ND2 | doub | 1.29Å | 1.32Å | Aromatic |
| NE2 | CE1 | sing | 1.34Å | 1.34Å | Aromatic |
| ND2 | NG | sing | 1.29Å | 1.32Å | Aromatic |
| CE1 | CD1 | doub | 1.35Å | 1.44Å | Aromatic |
| NG | CB | sing | 1.47Å | 1.46Å | |
| NG | CD1 | sing | 1.35Å | 1.34Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CD1 | P | sing | 1.81Å | 1.86Å | |
| O | C | doub | 1.21Å | 1.18Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| O2 | P | doub | 1.48Å | 1.51Å | |
| P | O3 | sing | 1.61Å | 1.51Å | |
| P | O4 | sing | 1.61Å | 1.51Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| O4 | H3 | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CE1 | H10 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| ND2 | NE2 | CE1 | 109.0° | 108.9° |
| NE2 | ND2 | NG | 110.5° | 110.1° |
| NE2 | CE1 | CD1 | 105.7° | 106.5° |
| NE2 | CE1 | H10 | 127.1° | 126.8° |
| ND2 | NG | CB | 125.1° | 125.8° |
| ND2 | NG | CD1 | 108.6° | 108.3° |
| CE1 | CD1 | NG | 106.2° | 106.2° |
| CE1 | CD1 | P | 126.4° | 126.9° |
| CD1 | CE1 | H10 | 127.2° | 126.7° |
| CB | NG | CD1 | 126.3° | 125.9° |
| NG | CB | CA | 112.8° | 109.5° |
| NG | CB | H8 | 108.7° | 109.5° |
| NG | CB | H9 | 108.6° | 109.5° |
| NG | CD1 | P | 127.4° | 126.9° |
| CB | CA | N | 110.7° | 109.5° |
| CB | CA | C | 110.0° | 109.5° |
| CB | CA | HA | 108.0° | 109.5° |
| CA | CB | H8 | 108.6° | 109.5° |
| CA | CB | H9 | 108.6° | 109.4° |
| CD1 | P | O2 | 109.2° | 109.5° |
| CD1 | P | O3 | 109.2° | 109.5° |
| CD1 | P | O4 | 109.8° | 109.5° |
| O | C | CA | 120.3° | 120.0° |
| O | C | OXT | 122.9° | 120.0° |
| N | CA | C | 111.1° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.9° | 109.5° |
| C | CA | HA | 108.0° | 109.5° |
| CA | C | OXT | 116.8° | 120.0° |
| O2 | P | O3 | 109.4° | 109.4° |
| O2 | P | O4 | 110.0° | 109.5° |
| O3 | P | O4 | 109.3° | 109.5° |
| P | O3 | H1 | 109.5° | 114.0° |
| P | O4 | H3 | 109.5° | 114.0° |
| H | N | H2 | 109.5° | 111.0° |
| H8 | CB | H9 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| ND2 | NE2 | CE1 | CD1 | 0.2° | 0.0° |
| NE2 | ND2 | NG | CB | 179.8° | 180.0° |
| NE2 | ND2 | NG | CD1 | 0.2° | 0.2° |
| ND2 | NE2 | CE1 | H10 | 179.9° | 179.9° |
| CE1 | NE2 | ND2 | NG | 0.2° | 0.2° |
| NE2 | CE1 | CD1 | H10 | 180.0° | 179.9° |
| NE2 | CE1 | CD1 | NG | 0.0° | 0.1° |
| NE2 | CE1 | CD1 | P | 180.0° | 179.9° |
| ND2 | NG | CD1 | CE1 | 0.1° | 0.2° |
| ND2 | NG | CB | CD1 | 179.5° | 179.7° |
| ND2 | NG | CB | CA | 103.7° | 90.3° |
| ND2 | NG | CD1 | P | 179.9° | 179.8° |
| ND2 | NG | CB | H8 | 135.8° | 149.7° |
| ND2 | NG | CB | H9 | 16.7° | 29.7° |
| CE1 | CD1 | NG | CB | 179.7° | 180.0° |
| CE1 | CD1 | NG | P | 180.0° | 180.0° |
| CE1 | CD1 | P | O2 | 123.8° | 90.0° |
| CE1 | CD1 | P | O3 | 4.3° | 30.0° |
| CE1 | CD1 | P | O4 | 115.5° | 150.0° |
| NG | CB | CA | H8 | 120.5° | 120.0° |
| NG | CB | CA | H9 | 120.5° | 120.0° |
| CB | NG | CD1 | P | 0.3° | 0.0° |
| NG | CB | CA | N | 44.6° | 65.0° |
| NG | CB | CA | C | 167.7° | 175.0° |
| NG | CB | CA | HA | 74.6° | 55.0° |
| NG | CB | H8 | H9 | 118.5° | 120.1° |
| CD1 | NG | CB | CA | 76.8° | 90.0° |
| NG | CD1 | P | O2 | 56.1° | 90.0° |
| NG | CD1 | P | O3 | 175.7° | 150.0° |
| NG | CD1 | P | O4 | 64.5° | 30.0° |
| CD1 | NG | CB | H8 | 43.7° | 29.9° |
| CD1 | NG | CB | H9 | 162.7° | 150.0° |
| NG | CD1 | CE1 | H10 | 180.0° | 180.0° |
| CB | CA | C | O | 8.1° | 100.3° |
| CB | CA | N | C | 122.5° | 120.0° |
| CB | CA | N | HA | 118.7° | 120.0° |
| CB | CA | C | HA | 117.7° | 120.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H8 | H9 | 118.5° | 120.0° |
| CB | CA | C | OXT | 170.4° | 80.0° |
| CD1 | P | O2 | O3 | 119.5° | 120.0° |
| CD1 | P | O2 | O4 | 120.5° | 120.0° |
| CD1 | P | O3 | O4 | 120.1° | 120.0° |
| CD1 | P | O3 | H1 | 119.5° | 60.0° |
| CD1 | P | O4 | H3 | 120.2° | 180.0° |
| P | CD1 | CE1 | H10 | 0.0° | 0.0° |
| O | C | CA | N | 131.0° | 19.7° |
| O | C | CA | OXT | 178.5° | 179.7° |
| O | C | CA | HA | 109.6° | 139.7° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| N | CA | C | HA | 119.4° | 120.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H8 | 165.1° | 55.0° |
| N | CA | CB | H9 | 75.9° | 175.0° |
| N | CA | C | OXT | 47.5° | 160.0° |
| C | CA | N | H | 57.5° | 63.9° |
| C | CA | N | H2 | 62.5° | 60.0° |
| C | CA | CB | H8 | 71.8° | 65.0° |
| C | CA | CB | H9 | 47.2° | 55.0° |
| CA | C | OXT | HXT | 178.4° | 180.0° |
| O2 | P | O3 | O4 | 120.4° | 120.0° |
| O2 | P | O3 | H1 | 0.0° | 180.0° |
| O2 | P | O4 | H3 | 0.0° | 59.9° |
| O3 | P | O4 | H3 | 120.1° | 60.0° |
| O4 | P | O3 | H1 | 120.4° | 60.0° |
| H | N | CA | HA | 61.4° | 56.1° |
| H2 | N | CA | HA | 178.7° | 180.0° |
| HA | CA | CB | H8 | 45.9° | 175.0° |
| HA | CA | CB | H9 | 164.9° | 65.0° |
| HA | CA | C | OXT | 71.9° | 40.0° |
