Z70
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.54Å | |
| C6 | CA | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| O | C | doub | 1.21Å | 1.29Å | |
| C | OXT | sing | 1.34Å | 1.28Å | |
| C5 | C3 | doub | 1.34Å | 1.48Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 1.53Å | |
| C3 | N2 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C4 | doub | 1.31Å | 1.40Å | Aromatic |
| C4 | N4 | sing | 1.38Å | 1.39Å | |
| C4 | N2 | sing | 1.36Å | 1.36Å | Aromatic |
| N3 | C5 | sing | 1.34Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | CA | C6 | 115.5° | 109.4° |
| C | CA | N | 109.3° | 109.5° |
| C | CA | H1 | 104.6° | 109.5° |
| CA | C | O | 120.9° | 120.0° |
| CA | C | OXT | 120.1° | 120.0° |
| C6 | CA | N | 106.8° | 109.5° |
| C6 | CA | H1 | 107.2° | 109.4° |
| CA | C6 | C7 | 115.6° | 109.4° |
| CA | C6 | H6 | 107.5° | 109.5° |
| CA | C6 | H6A | 107.5° | 109.5° |
| N | CA | H1 | 113.6° | 109.5° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| O | C | OXT | 119.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C5 | C3 | C7 | 119.6° | 126.5° |
| C5 | C3 | N2 | 110.6° | 106.9° |
| C3 | C5 | N3 | 103.6° | 108.3° |
| C3 | C5 | H5 | 128.2° | 125.8° |
| C7 | C3 | N2 | 129.8° | 126.5° |
| C3 | C7 | C6 | 112.1° | 109.5° |
| C3 | C7 | H7 | 108.6° | 109.5° |
| C3 | C7 | H7A | 108.6° | 109.5° |
| C3 | N2 | C4 | 105.2° | 107.0° |
| C3 | N2 | HN2 | 127.4° | 126.5° |
| N3 | C4 | N4 | 123.7° | 125.8° |
| N3 | C4 | N2 | 112.5° | 108.4° |
| C4 | N3 | C5 | 108.1° | 109.3° |
| N4 | C4 | N2 | 123.8° | 125.8° |
| C4 | N4 | HN4 | 109.5° | 120.0° |
| C4 | N4 | HN4A | 109.5° | 120.0° |
| C4 | N2 | HN2 | 127.4° | 126.4° |
| N3 | C5 | H5 | 128.2° | 125.9° |
| C7 | C6 | H6 | 107.5° | 109.4° |
| C7 | C6 | H6A | 107.5° | 109.5° |
| C6 | C7 | H7 | 108.6° | 109.5° |
| C6 | C7 | H7A | 108.6° | 109.4° |
| H6 | C6 | H6A | 111.4° | 109.5° |
| H7 | C7 | H7A | 110.3° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| HN4 | N4 | HN4A | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | C6 | N | 121.8° | 120.0° |
| C | CA | C6 | H1 | 116.1° | 120.0° |
| C | CA | N | H1 | 116.4° | 120.1° |
| CA | C | O | OXT | 179.4° | 180.0° |
| C | CA | C6 | C7 | 0.6° | 175.0° |
| C | CA | C6 | H6 | 119.4° | 65.1° |
| C | CA | C6 | H6A | 120.6° | 55.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 59.9° |
| CA | C | OXT | HXT | 179.3° | 180.0° |
| C6 | CA | N | H1 | 118.0° | 120.0° |
| C6 | CA | C | O | 60.6° | 100.0° |
| C6 | CA | C | OXT | 120.0° | 80.0° |
| CA | C6 | C7 | C3 | 167.0° | 180.0° |
| CA | C6 | C7 | H6 | 120.0° | 120.0° |
| CA | C6 | C7 | H6A | 120.0° | 120.0° |
| CA | C6 | H6 | H6A | 117.5° | 120.1° |
| CA | C6 | C7 | H7 | 47.0° | 60.0° |
| CA | C6 | C7 | H7A | 73.0° | 60.0° |
| C6 | CA | N | H | 54.5° | 176.0° |
| C6 | CA | N | H2 | 174.4° | 60.0° |
| N | CA | C | O | 179.0° | 20.0° |
| N | CA | C | OXT | 0.3° | 160.0° |
| N | CA | C6 | C7 | 121.1° | 65.0° |
| N | CA | C6 | H6 | 118.9° | 55.0° |
| N | CA | C6 | H6A | 1.1° | 175.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| H1 | CA | C | O | 57.0° | 140.1° |
| H1 | CA | C | OXT | 122.4° | 39.9° |
| H1 | CA | C6 | C7 | 116.7° | 55.0° |
| H1 | CA | C6 | H6 | 3.3° | 175.0° |
| H1 | CA | C6 | H6A | 123.3° | 65.0° |
| H1 | CA | N | H | 63.6° | 56.1° |
| H1 | CA | N | H2 | 56.4° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C5 | C3 | C7 | N2 | 179.6° | 179.7° |
| C3 | C5 | N3 | C4 | 0.1° | 0.2° |
| C5 | C3 | N2 | C4 | 0.1° | 0.2° |
| C3 | C5 | N3 | H5 | 180.0° | 179.9° |
| C5 | C3 | C7 | C6 | 57.5° | 85.3° |
| C5 | C3 | C7 | H7 | 62.5° | 34.7° |
| C5 | C3 | C7 | H7A | 177.5° | 154.7° |
| C5 | C3 | N2 | HN2 | 179.9° | 179.8° |
| C7 | C3 | N2 | C4 | 179.7° | 180.0° |
| C7 | C3 | C5 | N3 | 179.8° | 180.0° |
| C7 | C3 | C5 | H5 | 0.3° | 0.0° |
| C3 | C7 | C6 | H7 | 120.0° | 120.0° |
| C3 | C7 | C6 | H7A | 120.0° | 120.0° |
| C3 | C7 | C6 | H6 | 47.0° | 60.0° |
| C3 | C7 | C6 | H6A | 73.0° | 60.0° |
| C3 | C7 | H7 | H7A | 118.9° | 120.0° |
| C7 | C3 | N2 | HN2 | 0.3° | 0.1° |
| C3 | N2 | C4 | N3 | 0.0° | 0.1° |
| C3 | N2 | C4 | N4 | 180.0° | 180.0° |
| C3 | N2 | C4 | HN2 | 180.0° | 179.9° |
| N2 | C3 | C5 | N3 | 0.1° | 0.3° |
| N2 | C3 | C5 | H5 | 179.9° | 179.7° |
| N2 | C3 | C7 | C6 | 122.9° | 95.0° |
| N2 | C3 | C7 | H7 | 117.1° | 145.0° |
| N2 | C3 | C7 | H7A | 2.9° | 25.0° |
| N3 | C4 | N4 | N2 | 179.9° | 179.9° |
| C4 | N3 | C5 | H5 | 180.0° | 179.8° |
| N3 | C4 | N4 | HN4 | 0.0° | 179.9° |
| N3 | C4 | N4 | HN4A | 120.0° | 0.2° |
| N3 | C4 | N2 | HN2 | 180.0° | 179.9° |
| N4 | C4 | N3 | C5 | 179.9° | 179.9° |
| C4 | N4 | HN4 | HN4A | 120.0° | 179.9° |
| N4 | C4 | N2 | HN2 | 0.1° | 0.0° |
| N2 | C4 | N3 | C5 | 0.0° | 0.0° |
| N2 | C4 | N4 | HN4 | 179.9° | 0.0° |
| N2 | C4 | N4 | HN4A | 60.1° | 179.9° |
| C7 | C6 | H6 | H6A | 117.5° | 120.0° |
| C6 | C7 | H7 | H7A | 118.9° | 120.0° |
| H6 | C6 | C7 | H7 | 73.0° | 60.0° |
| H6 | C6 | C7 | H7A | 167.0° | 180.0° |
| H6A | C6 | C7 | H7 | 167.0° | 180.0° |
| H6A | C6 | C7 | H7A | 47.0° | 60.0° |
