ORT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| O3 | C5 | doub | 1.21Å | 1.24Å | |
| C5 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | N2 | sing | 1.37Å | 1.42Å | |
| C3 | CA | sing | 1.53Å | 1.55Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 1.01Å | 1.00Å | |
| N2 | H9 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 26.74Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 110.9° | 109.5° |
| C4 | C5 | O3 | 120.8° | 120.0° |
| C4 | C5 | N1 | 116.4° | 120.0° |
| C5 | C4 | H10 | 109.1° | 109.5° |
| C5 | C4 | H3 | 109.1° | 109.5° |
| C4 | C3 | CA | 115.6° | 109.5° |
| C3 | C4 | H10 | 109.1° | 109.5° |
| C3 | C4 | H3 | 109.1° | 109.5° |
| C4 | C3 | H6 | 107.9° | 109.5° |
| C4 | C3 | H7 | 107.9° | 109.5° |
| O3 | C5 | N1 | 122.8° | 120.0° |
| C5 | N1 | N2 | 120.7° | 120.0° |
| C5 | N1 | H1 | 119.6° | 120.0° |
| N2 | N1 | H1 | 119.6° | 120.0° |
| N1 | N2 | H8 | 109.5° | 111.0° |
| N1 | N2 | H9 | 109.5° | 111.0° |
| C3 | CA | C | 111.3° | 109.5° |
| C3 | CA | N | 111.6° | 109.4° |
| C3 | CA | HA | 107.6° | 109.5° |
| CA | C3 | H6 | 107.9° | 109.4° |
| CA | C3 | H7 | 107.9° | 109.4° |
| O | C | CA | 121.3° | 120.0° |
| O | C | OXT | 105.1° | 120.0° |
| C | CA | N | 109.8° | 109.5° |
| C | CA | HA | 107.8° | 109.5° |
| CA | C | OXT | 117.9° | 120.0° |
| N | CA | HA | 108.6° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| H10 | C4 | H3 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | N2 | H9 | 109.5° | 111.0° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H10 | 120.2° | 120.0° |
| C5 | C4 | C3 | H3 | 120.2° | 120.0° |
| C4 | C5 | O3 | N1 | 179.7° | 180.0° |
| C4 | C5 | N1 | N2 | 178.0° | 179.9° |
| C5 | C4 | C3 | CA | 65.6° | 180.0° |
| C4 | C5 | N1 | H1 | 2.1° | 0.2° |
| C5 | C4 | H10 | H3 | 119.4° | 120.0° |
| C5 | C4 | C3 | H6 | 55.3° | 60.1° |
| C5 | C4 | C3 | H7 | 173.5° | 60.0° |
| C3 | C4 | C5 | O3 | 118.4° | 0.0° |
| C3 | C4 | C5 | N1 | 61.8° | 180.0° |
| C4 | C3 | CA | H6 | 120.9° | 120.0° |
| C4 | C3 | CA | H7 | 120.9° | 120.0° |
| C4 | C3 | CA | C | 59.1° | 175.0° |
| C4 | C3 | CA | N | 64.0° | 65.0° |
| C3 | C4 | H10 | H3 | 119.3° | 120.0° |
| C4 | C3 | CA | HA | 176.9° | 54.9° |
| C4 | C3 | H6 | H7 | 117.2° | 120.1° |
| O3 | C5 | N1 | N2 | 2.3° | 0.0° |
| O3 | C5 | N1 | H1 | 177.7° | 179.7° |
| O3 | C5 | C4 | H10 | 121.4° | 120.0° |
| O3 | C5 | C4 | H3 | 1.8° | 120.0° |
| C5 | N1 | N2 | H1 | 180.0° | 179.7° |
| N1 | C5 | C4 | H10 | 58.4° | 60.0° |
| N1 | C5 | C4 | H3 | 177.9° | 60.0° |
| C5 | N1 | N2 | H8 | 180.0° | 179.8° |
| C5 | N1 | N2 | H9 | 60.0° | 56.3° |
| N1 | N2 | H8 | H9 | 120.0° | 123.9° |
| C3 | CA | C | O | 111.9° | 100.0° |
| C3 | CA | C | N | 124.1° | 120.0° |
| C3 | CA | C | HA | 117.8° | 120.0° |
| C3 | CA | N | HA | 118.5° | 119.9° |
| CA | C3 | C4 | H10 | 174.2° | 60.0° |
| CA | C3 | C4 | H3 | 54.6° | 60.0° |
| CA | C3 | H6 | H7 | 117.2° | 119.9° |
| C3 | CA | N | H | 180.0° | 60.0° |
| C3 | CA | N | H2 | 60.0° | 64.0° |
| C3 | CA | C | OXT | 19.8° | 80.0° |
| O | C | CA | OXT | 131.7° | 179.9° |
| O | C | CA | N | 12.2° | 20.0° |
| O | C | CA | HA | 130.3° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C | CA | N | HA | 117.6° | 120.0° |
| C | CA | C3 | H6 | 180.0° | 55.0° |
| C | CA | C3 | H7 | 61.8° | 65.0° |
| C | CA | N | H | 56.1° | 60.0° |
| C | CA | N | H2 | 64.0° | 176.0° |
| CA | C | OXT | HXT | 90.0° | 179.9° |
| N | CA | C3 | H6 | 56.9° | 175.0° |
| N | CA | C3 | H7 | 175.1° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | OXT | 143.9° | 160.0° |
| H1 | N1 | N2 | H8 | 0.0° | 0.1° |
| H1 | N1 | N2 | H9 | 120.0° | 123.9° |
| H10 | C4 | C3 | H6 | 64.9° | 180.0° |
| H10 | C4 | C3 | H7 | 53.3° | 60.0° |
| H3 | C4 | C3 | H6 | 175.5° | 60.0° |
| H3 | C4 | C3 | H7 | 66.3° | 180.0° |
| HA | CA | C3 | H6 | 62.2° | 65.1° |
| HA | CA | C3 | H7 | 56.0° | 175.0° |
| HA | CA | N | H | 61.5° | 180.0° |
| HA | CA | N | H2 | 178.4° | 56.0° |
| HA | CA | C | OXT | 98.0° | 40.0° |
