XDC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N | sing | 1.47Å | 1.45Å | |
| N | CA | sing | 1.46Å | 1.45Å | |
| N | C4 | sing | 1.37Å | 1.33Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| C4 | N2 | doub | 1.30Å | 1.29Å | |
| C4 | N3 | sing | 1.37Å | 1.33Å | |
| N2 | P1 | sing | 1.64Å | 1.54Å | |
| P1 | O3 | doub | 1.48Å | 1.57Å | |
| P1 | O4 | sing | 1.61Å | 1.46Å | |
| P1 | O5 | sing | 1.61Å | 1.57Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| CA | HA3 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | CA | 116.3° | 120.0° |
| C1 | N | C4 | 123.9° | 120.0° |
| N | C1 | H2 | 109.5° | 109.5° |
| N | C1 | H1 | 109.4° | 109.4° |
| N | C1 | H3 | 109.4° | 109.4° |
| CA | N | C4 | 119.7° | 120.0° |
| N | CA | C | 110.9° | 109.5° |
| N | CA | HA3 | 109.1° | 109.5° |
| N | CA | HA2 | 109.1° | 109.5° |
| N | C4 | N2 | 120.3° | 120.0° |
| N | C4 | N3 | 119.1° | 120.0° |
| CA | C | O | 117.1° | 120.0° |
| CA | C | OXT | 117.0° | 120.0° |
| C | CA | HA3 | 109.1° | 109.5° |
| C | CA | HA2 | 109.1° | 109.5° |
| O | C | OXT | 126.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| N2 | C4 | N3 | 120.4° | 120.0° |
| C4 | N2 | P1 | 129.9° | 120.0° |
| C4 | N3 | H7 | 120.0° | 120.0° |
| C4 | N3 | H6 | 120.0° | 120.0° |
| N2 | P1 | O3 | 120.3° | 109.5° |
| N2 | P1 | O4 | 108.7° | 109.5° |
| N2 | P1 | O5 | 103.2° | 109.5° |
| O3 | P1 | O4 | 101.3° | 109.5° |
| O3 | P1 | O5 | 118.7° | 109.4° |
| O4 | P1 | O5 | 103.2° | 109.5° |
| P1 | O4 | H9 | 109.5° | 114.0° |
| P1 | O5 | H10 | 109.5° | 114.0° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| HA3 | CA | HA2 | 109.5° | 109.4° |
| H7 | N3 | H6 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | CA | C4 | 177.4° | 180.0° |
| C1 | N | CA | C | 29.5° | 90.0° |
| C1 | N | C4 | N2 | 2.0° | 96.6° |
| C1 | N | C4 | N3 | 174.1° | 83.5° |
| N | C1 | H2 | H1 | 120.0° | 120.0° |
| N | C1 | H2 | H3 | 120.0° | 120.0° |
| N | C1 | H1 | H3 | 120.0° | 119.9° |
| C1 | N | CA | HA3 | 90.7° | 30.0° |
| C1 | N | CA | HA2 | 149.8° | 150.0° |
| N | CA | C | HA3 | 120.2° | 120.0° |
| N | CA | C | HA2 | 120.2° | 120.0° |
| N | CA | C | O | 71.9° | 0.0° |
| N | CA | C | OXT | 108.3° | 180.0° |
| CA | N | C4 | N2 | 179.1° | 83.3° |
| CA | N | C4 | N3 | 3.0° | 96.6° |
| CA | N | C1 | H2 | 180.0° | 84.8° |
| CA | N | C1 | H1 | 60.0° | 155.2° |
| CA | N | C1 | H3 | 60.0° | 35.2° |
| N | CA | HA3 | HA2 | 119.3° | 120.0° |
| C4 | N | CA | C | 147.8° | 90.0° |
| N | C4 | N2 | N3 | 176.0° | 179.9° |
| N | C4 | N2 | P1 | 59.9° | 5.9° |
| C4 | N | C1 | H2 | 2.8° | 95.2° |
| C4 | N | C1 | H1 | 122.8° | 24.8° |
| C4 | N | C1 | H3 | 117.2° | 144.8° |
| C4 | N | CA | HA3 | 92.0° | 150.0° |
| C4 | N | CA | HA2 | 27.6° | 30.0° |
| N | C4 | N3 | H7 | 176.1° | 180.0° |
| N | C4 | N3 | H6 | 3.9° | 0.1° |
| CA | C | O | OXT | 179.8° | 180.0° |
| C | CA | HA3 | HA2 | 119.4° | 120.0° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| O | C | CA | HA3 | 48.4° | 120.0° |
| O | C | CA | HA2 | 167.9° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA3 | 131.5° | 60.0° |
| OXT | C | CA | HA2 | 11.9° | 60.0° |
| C4 | N2 | P1 | O3 | 49.1° | 40.4° |
| C4 | N2 | P1 | O4 | 165.0° | 79.6° |
| C4 | N2 | P1 | O5 | 85.9° | 160.3° |
| N2 | C4 | N3 | H7 | 0.0° | 0.1° |
| N2 | C4 | N3 | H6 | 180.0° | 180.0° |
| N3 | C4 | N2 | P1 | 124.1° | 174.0° |
| C4 | N3 | H7 | H6 | 180.0° | 179.9° |
| N2 | P1 | O3 | O4 | 119.7° | 120.0° |
| N2 | P1 | O3 | O5 | 128.4° | 120.0° |
| N2 | P1 | O4 | O5 | 109.1° | 120.1° |
| N2 | P1 | O4 | H9 | 127.6° | 60.0° |
| N2 | P1 | O5 | H10 | 136.0° | 180.0° |
| O3 | P1 | O4 | O5 | 123.3° | 120.0° |
| O3 | P1 | O4 | H9 | 0.0° | 180.0° |
| O3 | P1 | O5 | H10 | 0.0° | 60.0° |
| O4 | P1 | O5 | H10 | 110.9° | 59.9° |
| O5 | P1 | O4 | H9 | 123.3° | 60.0° |
| H2 | C1 | H1 | H3 | 120.0° | 120.1° |
