N9K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.18Å | |
| C33 | C32 | doub | 1.38Å | 1.31Å | Aromatic |
| C33 | C27 | sing | 1.38Å | 1.52Å | Aromatic |
| C | CA | sing | 1.51Å | 1.54Å | |
| C32 | C30 | sing | 1.39Å | 1.52Å | Aromatic |
| C26 | CA | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| C27 | C28 | doub | 1.38Å | 1.31Å | Aromatic |
| C30 | O31 | sing | 1.36Å | 1.40Å | |
| C30 | C29 | doub | 1.39Å | 1.31Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.52Å | Aromatic |
| N | C35 | sing | 1.47Å | 1.44Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| C26 | H1 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.08Å | 1.08Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C29 | H5 | sing | 1.08Å | 1.08Å | |
| C32 | H6 | sing | 1.08Å | 1.08Å | |
| C33 | H7 | sing | 1.08Å | 1.08Å | |
| C35 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H10 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| O31 | H13 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 124.3° | 120.0° |
| O | C | OXT | 118.5° | 120.0° |
| C32 | C33 | C27 | 120.8° | 120.1° |
| C33 | C32 | C30 | 120.1° | 120.0° |
| C33 | C32 | H6 | 119.9° | 120.0° |
| C32 | C33 | H7 | 119.6° | 120.0° |
| C33 | C27 | C26 | 120.1° | 119.9° |
| C33 | C27 | C28 | 119.2° | 120.1° |
| C27 | C33 | H7 | 119.6° | 120.0° |
| C | CA | C26 | 113.2° | 109.5° |
| C | CA | N | 108.2° | 109.5° |
| CA | C | OXT | 117.1° | 120.0° |
| C | CA | HA | 108.7° | 109.5° |
| C32 | C30 | O31 | 119.9° | 120.1° |
| C32 | C30 | C29 | 119.3° | 119.9° |
| C30 | C32 | H6 | 120.0° | 120.0° |
| CA | C26 | C27 | 109.5° | 109.5° |
| C26 | CA | N | 108.3° | 109.5° |
| CA | C26 | H1 | 109.5° | 109.5° |
| CA | C26 | H11 | 109.4° | 109.5° |
| C26 | CA | HA | 108.8° | 109.4° |
| C26 | C27 | C28 | 120.7° | 120.0° |
| C27 | C26 | H1 | 109.5° | 109.4° |
| C27 | C26 | H11 | 109.5° | 109.4° |
| CA | N | C35 | 121.5° | 111.0° |
| N | CA | HA | 109.6° | 109.5° |
| CA | N | H | 106.4° | 111.0° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C27 | C28 | H3 | 120.0° | 120.0° |
| O31 | C30 | C29 | 120.8° | 120.1° |
| C30 | O31 | H13 | 109.5° | 114.0° |
| C30 | C29 | C28 | 120.5° | 120.0° |
| C30 | C29 | H5 | 119.7° | 120.0° |
| C29 | C28 | H3 | 119.9° | 120.0° |
| C28 | C29 | H5 | 119.7° | 120.0° |
| N | C35 | H8 | 109.5° | 109.4° |
| N | C35 | H9 | 109.5° | 109.5° |
| N | C35 | H10 | 109.5° | 109.5° |
| C35 | N | H | 106.4° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H1 | C26 | H11 | 109.5° | 109.5° |
| H8 | C35 | H9 | 109.5° | 109.5° |
| H8 | C35 | H10 | 109.4° | 109.5° |
| H9 | C35 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 177.9° | 179.8° |
| O | C | CA | C26 | 3.2° | 93.6° |
| O | C | CA | N | 123.1° | 26.4° |
| O | C | CA | HA | 117.9° | 146.4° |
| O | C | OXT | HXT | 0.0° | 0.2° |
| C32 | C33 | C27 | H7 | 180.0° | 179.2° |
| C33 | C32 | C30 | H6 | 180.0° | 179.5° |
| C32 | C33 | C27 | C26 | 179.9° | 179.5° |
| C32 | C33 | C27 | C28 | 0.4° | 0.5° |
| C33 | C32 | C30 | O31 | 179.6° | 179.5° |
| C33 | C32 | C30 | C29 | 0.7° | 0.5° |
| C27 | C33 | C32 | C30 | 0.5° | 0.8° |
| C33 | C27 | C26 | CA | 88.1° | 90.0° |
| C33 | C27 | C26 | C28 | 179.5° | 180.0° |
| C33 | C27 | C28 | C29 | 0.4° | 0.0° |
| C33 | C27 | C26 | H1 | 151.9° | 150.0° |
| C33 | C27 | C26 | H11 | 31.9° | 30.0° |
| C33 | C27 | C28 | H3 | 179.6° | 179.7° |
| C27 | C33 | C32 | H6 | 179.5° | 179.8° |
| C | CA | C26 | N | 120.0° | 120.0° |
| C | CA | C26 | HA | 121.0° | 120.0° |
| C | CA | C26 | C27 | 171.0° | 175.0° |
| C | CA | N | HA | 118.4° | 120.1° |
| C | CA | N | C35 | 55.2° | 84.3° |
| C | CA | C26 | H1 | 69.0° | 65.0° |
| C | CA | C26 | H11 | 51.0° | 55.0° |
| C | CA | N | H | 176.9° | 39.7° |
| CA | C | OXT | HXT | 178.1° | 180.0° |
| C32 | C30 | O31 | C29 | 179.6° | 180.0° |
| C32 | C30 | C29 | C28 | 0.7° | 0.0° |
| C32 | C30 | C29 | H5 | 179.3° | 180.0° |
| C30 | C32 | C33 | H7 | 179.4° | 180.0° |
| C32 | C30 | O31 | H13 | 180.0° | 90.0° |
| CA | C26 | C27 | H1 | 120.0° | 120.0° |
| CA | C26 | C27 | H11 | 120.0° | 120.0° |
| C26 | CA | N | HA | 118.6° | 120.0° |
| CA | C26 | C27 | C28 | 92.4° | 90.0° |
| C26 | CA | N | C35 | 67.9° | 155.7° |
| C26 | CA | C | OXT | 178.9° | 86.6° |
| CA | C26 | H1 | H11 | 120.0° | 120.1° |
| C26 | CA | N | H | 53.8° | 80.3° |
| C27 | C26 | CA | N | 69.0° | 65.0° |
| C26 | C27 | C28 | C29 | 179.9° | 180.0° |
| C27 | C26 | H1 | H11 | 120.0° | 120.0° |
| C26 | C27 | C28 | H3 | 0.1° | 0.3° |
| C27 | C26 | CA | HA | 50.0° | 55.0° |
| C26 | C27 | C33 | H7 | 0.1° | 0.3° |
| CA | N | C35 | H | 121.7° | 124.0° |
| N | CA | C | OXT | 58.9° | 153.4° |
| N | CA | C26 | H1 | 51.0° | 55.0° |
| N | CA | C26 | H11 | 171.0° | 175.0° |
| CA | N | C35 | H8 | 180.0° | 64.8° |
| CA | N | C35 | H9 | 60.0° | 175.2° |
| CA | N | C35 | H10 | 60.0° | 55.2° |
| C27 | C28 | C29 | C30 | 0.6° | 0.2° |
| C27 | C28 | C29 | H3 | 180.0° | 179.7° |
| C28 | C27 | C26 | H1 | 27.7° | 30.0° |
| C28 | C27 | C26 | H11 | 147.7° | 150.0° |
| C27 | C28 | C29 | H5 | 179.4° | 179.7° |
| C28 | C27 | C33 | H7 | 179.6° | 179.7° |
| O31 | C30 | C29 | C28 | 179.6° | 180.0° |
| O31 | C30 | C29 | H5 | 0.4° | 0.1° |
| O31 | C30 | C32 | H6 | 0.4° | 0.0° |
| C30 | C29 | C28 | H5 | 180.0° | 179.9° |
| C30 | C29 | C28 | H3 | 179.4° | 179.9° |
| C29 | C30 | C32 | H6 | 179.3° | 180.0° |
| C29 | C30 | O31 | H13 | 0.4° | 89.9° |
| C35 | N | CA | HA | 173.6° | 35.7° |
| N | C35 | H8 | H9 | 120.0° | 120.0° |
| N | C35 | H8 | H10 | 120.0° | 120.0° |
| N | C35 | H9 | H10 | 120.0° | 120.0° |
| OXT | C | CA | HA | 60.1° | 33.4° |
| H1 | C26 | CA | HA | 170.1° | 174.9° |
| H11 | C26 | CA | HA | 70.0° | 65.0° |
| H3 | C28 | C29 | H5 | 0.6° | 0.0° |
| HA | CA | N | H | 64.7° | 159.7° |
| H6 | C32 | C33 | H7 | 0.5° | 0.5° |
| H8 | C35 | H9 | H10 | 120.0° | 120.0° |
| H8 | C35 | N | H | 58.3° | 59.2° |
| H9 | C35 | N | H | 178.3° | 60.8° |
| H10 | C35 | N | H | 61.7° | 179.2° |
