UKD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.50Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| CA | CB | sing | 1.53Å | 1.60Å | |
| CB | NG | sing | 1.46Å | 1.47Å | |
| NG | ND1 | sing | 1.29Å | 1.36Å | Aromatic |
| NG | CD2 | sing | 1.35Å | 1.33Å | Aromatic |
| ND1 | NE1 | doub | 1.29Å | 1.38Å | Aromatic |
| CD2 | CE2 | doub | 1.35Å | 1.37Å | Aromatic |
| NE1 | CE2 | sing | 1.34Å | 1.31Å | Aromatic |
| CE2 | P | sing | 1.81Å | 1.80Å | |
| P | O4 | doub | 1.48Å | 1.51Å | |
| P | O3 | sing | 1.61Å | 1.52Å | |
| P | O1 | sing | 1.61Å | 1.50Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| O1 | H11 | sing | 0.97Å | 0.95Å | |
| CD2 | H3 | sing | 1.08Å | 1.08Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | 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 | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.0° | 120.0° |
| O | C | OXT | 123.0° | 120.0° |
| C | CA | N | 112.5° | 109.5° |
| C | CA | CB | 99.3° | 109.4° |
| C | CA | HA | 111.2° | 109.5° |
| CA | C | OXT | 116.9° | 120.0° |
| N | CA | CB | 111.5° | 109.4° |
| N | CA | HA | 111.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 110.9° |
| CA | CB | NG | 113.6° | 109.5° |
| CA | CB | H4 | 108.4° | 109.4° |
| CA | CB | H5 | 108.4° | 109.5° |
| CB | CA | HA | 109.8° | 109.5° |
| CB | NG | ND1 | 112.5° | 125.8° |
| CB | NG | CD2 | 136.4° | 125.9° |
| NG | CB | H4 | 108.4° | 109.5° |
| NG | CB | H5 | 108.5° | 109.5° |
| ND1 | NG | CD2 | 111.0° | 108.3° |
| NG | ND1 | NE1 | 106.8° | 110.1° |
| NG | CD2 | CE2 | 103.8° | 106.2° |
| NG | CD2 | H3 | 128.1° | 126.9° |
| ND1 | NE1 | CE2 | 105.1° | 108.9° |
| CD2 | CE2 | NE1 | 113.2° | 106.5° |
| CD2 | CE2 | P | 126.9° | 126.7° |
| CE2 | CD2 | H3 | 128.1° | 126.9° |
| NE1 | CE2 | P | 119.8° | 126.8° |
| CE2 | P | O4 | 103.9° | 109.5° |
| CE2 | P | O3 | 106.9° | 109.4° |
| CE2 | P | O1 | 112.7° | 109.5° |
| O4 | P | O3 | 109.6° | 109.5° |
| O4 | P | O1 | 111.4° | 109.5° |
| O3 | P | O1 | 112.0° | 109.5° |
| P | O3 | H1 | 109.5° | 114.0° |
| P | O1 | H11 | 109.5° | 114.0° |
| H4 | CB | H5 | 109.4° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 175.6° | 179.9° |
| O | C | CA | N | 4.3° | 19.9° |
| O | C | CA | CB | 113.7° | 100.0° |
| O | C | CA | HA | 130.7° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | CB | 110.6° | 119.9° |
| C | CA | N | HA | 126.0° | 120.0° |
| C | CA | CB | HA | 116.6° | 120.0° |
| C | CA | CB | NG | 171.3° | 175.0° |
| C | CA | CB | H4 | 68.1° | 55.0° |
| C | CA | CB | H5 | 50.6° | 64.9° |
| C | CA | N | H | 180.0° | 59.9° |
| C | CA | N | H2 | 60.0° | 176.0° |
| CA | C | OXT | HXT | 175.5° | 180.0° |
| N | CA | CB | HA | 124.6° | 120.0° |
| N | CA | CB | NG | 69.9° | 65.1° |
| N | CA | CB | H4 | 50.7° | 175.0° |
| N | CA | CB | H5 | 169.5° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 171.3° | 160.0° |
| CA | CB | NG | H4 | 120.6° | 119.9° |
| CA | CB | NG | H5 | 120.6° | 120.0° |
| CA | CB | NG | ND1 | 92.1° | 55.0° |
| CA | CB | NG | CD2 | 82.8° | 125.3° |
| CA | CB | H4 | H5 | 118.1° | 120.0° |
| CB | CA | N | H | 69.4° | 60.0° |
| CB | CA | N | H2 | 170.6° | 64.0° |
| CB | CA | C | OXT | 70.6° | 80.1° |
| CB | NG | ND1 | CD2 | 176.2° | 179.8° |
| CB | NG | ND1 | NE1 | 176.7° | 180.0° |
| CB | NG | CD2 | CE2 | 174.7° | 179.9° |
| CB | NG | CD2 | H3 | 5.3° | 0.1° |
| NG | CB | H4 | H5 | 118.1° | 120.1° |
| NG | CB | CA | HA | 54.7° | 55.0° |
| ND1 | NG | CD2 | CE2 | 0.2° | 0.4° |
| NG | ND1 | NE1 | CE2 | 1.0° | 0.0° |
| ND1 | NG | CD2 | H3 | 179.8° | 179.6° |
| ND1 | NG | CB | H4 | 28.5° | 64.9° |
| ND1 | NG | CB | H5 | 147.3° | 175.0° |
| CD2 | NG | ND1 | NE1 | 0.5° | 0.3° |
| NG | CD2 | CE2 | H3 | 180.0° | 180.0° |
| NG | CD2 | CE2 | NE1 | 0.9° | 0.3° |
| NG | CD2 | CE2 | P | 179.5° | 179.9° |
| CD2 | NG | CB | H4 | 156.6° | 114.8° |
| CD2 | NG | CB | H5 | 37.9° | 5.3° |
| ND1 | NE1 | CE2 | CD2 | 1.2° | 0.2° |
| ND1 | NE1 | CE2 | P | 179.9° | 179.9° |
| CD2 | CE2 | NE1 | P | 178.8° | 179.8° |
| CD2 | CE2 | P | O4 | 123.7° | 89.8° |
| CD2 | CE2 | P | O3 | 7.8° | 150.2° |
| CD2 | CE2 | P | O1 | 115.7° | 30.3° |
| NE1 | CE2 | P | O4 | 54.9° | 89.9° |
| NE1 | CE2 | P | O3 | 170.8° | 30.1° |
| NE1 | CE2 | P | O1 | 65.8° | 150.0° |
| NE1 | CE2 | CD2 | H3 | 179.1° | 179.7° |
| CE2 | P | O4 | O3 | 114.0° | 120.0° |
| CE2 | P | O4 | O1 | 121.5° | 120.0° |
| CE2 | P | O3 | O1 | 123.9° | 120.0° |
| CE2 | P | O3 | H1 | 112.0° | 180.0° |
| CE2 | P | O1 | H11 | 116.3° | 60.0° |
| P | CE2 | CD2 | H3 | 0.5° | 0.1° |
| O4 | P | O3 | O1 | 124.1° | 120.0° |
| O4 | P | O3 | H1 | 0.0° | 60.0° |
| O4 | P | O1 | H11 | 0.0° | 180.0° |
| O3 | P | O1 | H11 | 123.1° | 59.9° |
| O1 | P | O3 | H1 | 124.1° | 60.0° |
| H4 | CB | CA | HA | 175.3° | 65.0° |
| H5 | CB | CA | HA | 66.0° | 175.0° |
| HA | CA | N | H | 54.0° | 180.0° |
| HA | CA | N | H2 | 66.0° | 56.0° |
| HA | CA | C | OXT | 44.9° | 39.9° |
