9G2
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 | 1.51Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| C1 | CB | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N4 | sing | 1.46Å | 1.46Å | |
| N4 | N5 | sing | 1.29Å | 1.40Å | Aromatic |
| N4 | C8 | sing | 1.35Å | 1.33Å | Aromatic |
| N5 | N6 | doub | 1.29Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.35Å | 1.39Å | Aromatic |
| N6 | C7 | sing | 1.34Å | 1.36Å | Aromatic |
| C7 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H11 | sing | 1.09Å | 1.10Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| 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) |
| O | C | CA | 120.6° | 120.1° |
| O | C | OXT | 123.0° | 120.0° |
| C | CA | N | 111.2° | 109.4° |
| C | CA | CB | 109.6° | 109.5° |
| C | CA | HA | 108.2° | 109.5° |
| CA | C | OXT | 116.4° | 120.0° |
| N | CA | CB | 111.1° | 109.5° |
| CA | N | H | 109.5° | 111.1° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.5° | 109.4° |
| CA | CB | C1 | 110.8° | 109.5° |
| CB | CA | HA | 108.1° | 109.5° |
| CA | CB | H11 | 109.1° | 109.5° |
| CA | CB | H12 | 109.1° | 109.5° |
| CB | C1 | C2 | 111.5° | 109.5° |
| C1 | CB | H11 | 109.1° | 109.5° |
| C1 | CB | H12 | 109.1° | 109.4° |
| CB | C1 | H13 | 109.0° | 109.5° |
| CB | C1 | H14 | 109.0° | 109.5° |
| C1 | C2 | N4 | 110.5° | 109.4° |
| C1 | C2 | H1 | 109.2° | 109.5° |
| C1 | C2 | H6 | 109.2° | 109.4° |
| C2 | C1 | H13 | 109.0° | 109.4° |
| C2 | C1 | H14 | 108.9° | 109.5° |
| C2 | N4 | N5 | 114.9° | 125.9° |
| C2 | N4 | C8 | 133.9° | 125.8° |
| N4 | C2 | H1 | 109.2° | 109.5° |
| N4 | C2 | H6 | 109.2° | 109.5° |
| N5 | N4 | C8 | 111.2° | 108.3° |
| N4 | N5 | N6 | 104.7° | 110.2° |
| N4 | C8 | C7 | 106.7° | 106.2° |
| N4 | C8 | H5 | 126.7° | 126.9° |
| N5 | N6 | C7 | 108.4° | 108.9° |
| C8 | C7 | N6 | 109.0° | 106.5° |
| C8 | C7 | C9 | 125.4° | 126.7° |
| C7 | C8 | H5 | 126.6° | 126.9° |
| N6 | C7 | C9 | 125.6° | 126.8° |
| C7 | C9 | C10 | 109.8° | 109.5° |
| C7 | C9 | H3 | 109.4° | 109.5° |
| C7 | C9 | H4 | 109.4° | 109.5° |
| C10 | C9 | H3 | 109.4° | 109.5° |
| C10 | C9 | H4 | 109.4° | 109.4° |
| C9 | C10 | H15 | 109.5° | 109.5° |
| C9 | C10 | H16 | 109.5° | 109.5° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| H1 | C2 | H6 | 109.4° | 109.5° |
| H3 | C9 | H4 | 109.4° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| H11 | CB | H12 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H17 | 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) |
| O | C | CA | OXT | 179.5° | 179.9° |
| O | C | CA | N | 152.7° | 20.1° |
| O | C | CA | CB | 84.1° | 100.0° |
| O | C | CA | HA | 33.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | CB | 122.4° | 120.0° |
| C | CA | N | HA | 118.9° | 119.9° |
| C | CA | CB | HA | 117.8° | 120.0° |
| C | CA | CB | C1 | 155.5° | 175.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.1° |
| C | CA | CB | H11 | 84.3° | 65.0° |
| C | CA | CB | H12 | 35.3° | 55.1° |
| CA | C | OXT | HXT | 179.5° | 180.0° |
| N | CA | CB | HA | 118.9° | 120.0° |
| N | CA | CB | C1 | 81.2° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H11 | 39.0° | 55.0° |
| N | CA | CB | H12 | 158.6° | 175.0° |
| N | CA | C | OXT | 27.8° | 160.0° |
| CA | CB | C1 | H11 | 120.2° | 120.0° |
| CA | CB | C1 | H12 | 120.2° | 120.0° |
| CA | CB | C1 | C2 | 163.0° | 180.0° |
| CB | CA | N | H | 57.6° | 176.0° |
| CB | CA | N | H2 | 177.6° | 59.9° |
| CA | CB | H11 | H12 | 119.4° | 120.0° |
| CA | CB | C1 | H13 | 42.7° | 60.0° |
| CA | CB | C1 | H14 | 76.7° | 60.0° |
| CB | CA | C | OXT | 95.4° | 80.0° |
| CB | C1 | C2 | H13 | 120.3° | 120.0° |
| CB | C1 | C2 | H14 | 120.3° | 120.0° |
| CB | C1 | C2 | N4 | 78.3° | 180.0° |
| CB | C1 | C2 | H1 | 41.8° | 60.0° |
| CB | C1 | C2 | H6 | 161.5° | 60.0° |
| C1 | CB | CA | HA | 37.7° | 55.0° |
| C1 | CB | H11 | H12 | 119.4° | 120.0° |
| CB | C1 | H13 | H14 | 119.1° | 120.0° |
| C1 | C2 | N4 | H1 | 120.2° | 120.0° |
| C1 | C2 | N4 | H6 | 120.2° | 119.9° |
| C1 | C2 | N4 | N5 | 105.7° | 55.0° |
| C1 | C2 | N4 | C8 | 74.1° | 125.1° |
| C1 | C2 | H1 | H6 | 119.5° | 119.9° |
| C2 | C1 | CB | H11 | 76.8° | 60.0° |
| C2 | C1 | CB | H12 | 42.8° | 60.0° |
| C2 | C1 | H13 | H14 | 119.1° | 120.0° |
| C2 | N4 | N5 | C8 | 179.8° | 179.9° |
| C2 | N4 | N5 | N6 | 180.0° | 179.8° |
| C2 | N4 | C8 | C7 | 179.9° | 179.9° |
| N4 | C2 | H1 | H6 | 119.5° | 120.0° |
| C2 | N4 | C8 | H5 | 0.1° | 0.1° |
| N4 | C2 | C1 | H13 | 161.4° | 60.0° |
| N4 | C2 | C1 | H14 | 42.0° | 60.0° |
| N5 | N4 | C8 | C7 | 0.3° | 0.0° |
| N4 | N5 | N6 | C7 | 0.1° | 0.5° |
| N5 | N4 | C2 | H1 | 134.2° | 175.1° |
| N5 | N4 | C2 | H6 | 14.5° | 64.9° |
| N5 | N4 | C8 | H5 | 179.7° | 179.8° |
| C8 | N4 | N5 | N6 | 0.1° | 0.3° |
| N4 | C8 | C7 | H5 | 180.0° | 179.8° |
| N4 | C8 | C7 | N6 | 0.3° | 0.3° |
| N4 | C8 | C7 | C9 | 180.0° | 179.8° |
| C8 | N4 | C2 | H1 | 46.1° | 5.0° |
| C8 | N4 | C2 | H6 | 165.7° | 115.0° |
| N5 | N6 | C7 | C8 | 0.2° | 0.5° |
| N5 | N6 | C7 | C9 | 179.9° | 179.6° |
| C8 | C7 | N6 | C9 | 179.7° | 179.9° |
| C8 | C7 | C9 | C10 | 162.8° | 125.0° |
| C8 | C7 | C9 | H3 | 77.1° | 5.0° |
| C8 | C7 | C9 | H4 | 42.8° | 115.0° |
| N6 | C7 | C9 | C10 | 17.5° | 55.0° |
| N6 | C7 | C9 | H3 | 102.5° | 175.1° |
| N6 | C7 | C9 | H4 | 137.6° | 64.9° |
| N6 | C7 | C8 | H5 | 179.7° | 180.0° |
| C7 | C9 | C10 | H3 | 120.1° | 120.0° |
| C7 | C9 | C10 | H4 | 120.1° | 120.0° |
| C7 | C9 | H3 | H4 | 119.8° | 120.1° |
| C9 | C7 | C8 | H5 | 0.0° | 0.0° |
| C7 | C9 | C10 | H15 | 180.0° | 60.0° |
| C7 | C9 | C10 | H16 | 60.0° | 60.0° |
| C7 | C9 | C10 | H17 | 60.0° | 180.0° |
| C10 | C9 | H3 | H4 | 119.8° | 119.9° |
| C9 | C10 | H15 | H16 | 120.0° | 120.0° |
| C9 | C10 | H15 | H17 | 120.0° | 120.0° |
| C9 | C10 | H16 | H17 | 120.0° | 120.0° |
| H1 | C2 | C1 | H13 | 78.4° | 60.0° |
| H1 | C2 | C1 | H14 | 162.1° | 180.0° |
| H6 | C2 | C1 | H13 | 41.2° | 180.0° |
| H6 | C2 | C1 | H14 | 78.2° | 60.0° |
| H3 | C9 | C10 | H15 | 60.0° | 60.0° |
| H3 | C9 | C10 | H16 | 180.0° | 180.0° |
| H3 | C9 | C10 | H17 | 60.0° | 60.0° |
| H4 | C9 | C10 | H15 | 59.9° | 180.0° |
| H4 | C9 | C10 | H16 | 60.1° | 60.0° |
| H4 | C9 | C10 | H17 | 179.9° | 60.0° |
| H | N | CA | HA | 61.1° | 56.0° |
| H2 | N | CA | HA | 58.9° | 180.0° |
| HA | CA | CB | H11 | 158.0° | 175.0° |
| HA | CA | CB | H12 | 82.5° | 65.0° |
| HA | CA | C | OXT | 146.9° | 40.1° |
| H11 | CB | C1 | H13 | 162.9° | 60.0° |
| H11 | CB | C1 | H14 | 43.5° | 180.0° |
| H12 | CB | C1 | H13 | 77.5° | 180.0° |
| H12 | CB | C1 | H14 | 163.1° | 60.0° |
| H15 | C10 | H16 | H17 | 120.0° | 120.0° |
