9VR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | N1 | doub | 1.24Å | 1.29Å | |
| N2 | C3 | sing | 1.46Å | 1.46Å | |
| N1 | C3 | sing | 1.46Å | 1.47Å | |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C8 | sing | 1.51Å | 1.48Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C26 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| F6 | C4 | sing | 1.40Å | 1.33Å | |
| C4 | F7 | sing | 1.40Å | 1.33Å | |
| C4 | F5 | sing | 1.40Å | 1.34Å | |
| C11 | C12 | sing | 1.51Å | 1.49Å | |
| C11 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | O13 | sing | 1.45Å | 1.46Å | |
| NZ | CE | sing | 1.46Å | 1.46Å | |
| NZ | C14 | sing | 1.35Å | 1.47Å | |
| O13 | C14 | sing | 1.35Å | 1.44Å | |
| CE | CD | sing | 1.53Å | 1.52Å | |
| C14 | O15 | doub | 1.21Å | 1.22Å | |
| CD | CG | sing | 1.53Å | 1.53Å | |
| CG | CB | sing | 1.53Å | 1.54Å | |
| O | C | doub | 1.21Å | 1.37Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| C | CA | sing | 1.51Å | 1.56Å | |
| C | OXT | sing | 1.34Å | 1.37Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| NZ | HZ | sing | 0.97Å | 1.00Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | N2 | C3 | 64.5° | 65.0° |
| N2 | N1 | C3 | 63.3° | 65.0° |
| N2 | C3 | N1 | 52.2° | 50.1° |
| N2 | C3 | C8 | 115.4° | 118.6° |
| N2 | C3 | C4 | 119.0° | 118.6° |
| N1 | C3 | C8 | 117.4° | 118.6° |
| N1 | C3 | C4 | 124.0° | 118.6° |
| C26 | C27 | C8 | 118.8° | 120.0° |
| C27 | C26 | C11 | 119.1° | 120.0° |
| C27 | C26 | H7 | 120.4° | 120.0° |
| C26 | C27 | H22 | 120.6° | 120.0° |
| C27 | C8 | C3 | 120.5° | 120.0° |
| C27 | C8 | C9 | 120.2° | 120.0° |
| C8 | C27 | H22 | 120.6° | 120.0° |
| C8 | C3 | C4 | 114.3° | 116.2° |
| C3 | C8 | C9 | 119.3° | 120.0° |
| C3 | C4 | F6 | 108.7° | 109.4° |
| C3 | C4 | F7 | 109.8° | 109.5° |
| C3 | C4 | F5 | 118.1° | 109.5° |
| C26 | C11 | C12 | 121.2° | 120.0° |
| C26 | C11 | C10 | 120.3° | 120.0° |
| C11 | C26 | H7 | 120.4° | 120.0° |
| C8 | C9 | C10 | 120.8° | 120.0° |
| C8 | C9 | H10 | 119.6° | 120.0° |
| F6 | C4 | F7 | 107.3° | 109.5° |
| F6 | C4 | F5 | 105.8° | 109.5° |
| F7 | C4 | F5 | 106.7° | 109.5° |
| C12 | C11 | C10 | 118.5° | 120.0° |
| C11 | C12 | O13 | 102.4° | 109.4° |
| C11 | C12 | H11 | 111.2° | 109.5° |
| C11 | C12 | H12 | 111.2° | 109.5° |
| C11 | C10 | C9 | 120.8° | 120.0° |
| C11 | C10 | H1 | 119.6° | 120.0° |
| C9 | C10 | H1 | 119.6° | 120.0° |
| C10 | C9 | H10 | 119.6° | 120.0° |
| C12 | O13 | C14 | 114.7° | 117.0° |
| O13 | C12 | H11 | 111.2° | 109.5° |
| O13 | C12 | H12 | 111.2° | 109.5° |
| CE | NZ | C14 | 119.5° | 120.0° |
| NZ | CE | CD | 105.2° | 109.5° |
| NZ | CE | HE2 | 110.5° | 109.5° |
| NZ | CE | HE3 | 110.5° | 109.5° |
| CE | NZ | HZ | 120.2° | 120.0° |
| NZ | C14 | O13 | 120.8° | 120.0° |
| NZ | C14 | O15 | 119.0° | 120.0° |
| C14 | NZ | HZ | 120.3° | 120.0° |
| O13 | C14 | O15 | 120.2° | 120.0° |
| CE | CD | CG | 114.3° | 109.5° |
| CD | CE | HE2 | 110.6° | 109.5° |
| CD | CE | HE3 | 110.5° | 109.5° |
| CE | CD | HD2 | 108.2° | 109.5° |
| CE | CD | HD3 | 108.2° | 109.4° |
| CD | CG | CB | 109.1° | 109.4° |
| CG | CD | HD2 | 108.3° | 109.5° |
| CG | CD | HD3 | 108.3° | 109.5° |
| CD | CG | HG2 | 109.6° | 109.5° |
| CD | CG | HG3 | 109.6° | 109.5° |
| CG | CB | CA | 116.2° | 109.5° |
| CG | CB | HB2 | 107.8° | 109.5° |
| CG | CB | HB3 | 107.8° | 109.5° |
| CB | CG | HG2 | 109.5° | 109.5° |
| CB | CG | HG3 | 109.6° | 109.5° |
| O | C | CA | 122.7° | 120.0° |
| O | C | OXT | 118.4° | 120.0° |
| CB | CA | C | 118.0° | 109.5° |
| CB | CA | N | 109.3° | 109.5° |
| CA | CB | HB2 | 107.8° | 109.5° |
| CA | CB | HB3 | 107.7° | 109.4° |
| CB | CA | HA | 106.8° | 109.5° |
| CA | C | OXT | 118.9° | 120.0° |
| C | CA | N | 108.1° | 109.5° |
| C | CA | HA | 106.7° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CA | HA | 107.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| HE2 | CE | HE3 | 109.5° | 109.4° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.4° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.4° |
| H | N | H2 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | N2 | C3 | C8 | 106.1° | 104.8° |
| N1 | N2 | C3 | C4 | 112.3° | 104.8° |
| N2 | C3 | C8 | C27 | 14.7° | 113.3° |
| N2 | C3 | C8 | C4 | 143.4° | 151.1° |
| N2 | C3 | C8 | C9 | 166.1° | 66.8° |
| N2 | C3 | C4 | F6 | 57.2° | 23.3° |
| N2 | C3 | C4 | F7 | 59.9° | 143.2° |
| N2 | C3 | C4 | F5 | 177.6° | 96.7° |
| N1 | C3 | C8 | C27 | 44.2° | 55.7° |
| N1 | C3 | C8 | C4 | 157.8° | 151.2° |
| N1 | C3 | C8 | C9 | 135.1° | 124.4° |
| N1 | C3 | C4 | F6 | 4.7° | 34.4° |
| N1 | C3 | C4 | F7 | 121.8° | 85.6° |
| N1 | C3 | C4 | F5 | 115.7° | 154.4° |
| C26 | C27 | C8 | H22 | 180.0° | 179.7° |
| C26 | C27 | C8 | C3 | 179.7° | 179.8° |
| C27 | C26 | C11 | H7 | 180.0° | 179.9° |
| C26 | C27 | C8 | C9 | 0.4° | 0.3° |
| C27 | C26 | C11 | C12 | 179.8° | 180.0° |
| C27 | C26 | C11 | C10 | 0.3° | 0.1° |
| C27 | C8 | C3 | C9 | 179.3° | 179.9° |
| C27 | C8 | C3 | C4 | 158.1° | 95.6° |
| C8 | C27 | C26 | C11 | 0.1° | 0.2° |
| C27 | C8 | C9 | C10 | 1.3° | 0.0° |
| C8 | C27 | C26 | H7 | 179.9° | 179.6° |
| C27 | C8 | C9 | H10 | 178.7° | 180.0° |
| C8 | C3 | C4 | F6 | 160.8° | 174.4° |
| C8 | C3 | C4 | F7 | 82.1° | 65.6° |
| C8 | C3 | C4 | F5 | 40.4° | 54.4° |
| C3 | C8 | C9 | C10 | 179.4° | 180.0° |
| C3 | C8 | C9 | H10 | 0.6° | 0.1° |
| C3 | C8 | C27 | H22 | 0.3° | 0.1° |
| C4 | C3 | C8 | C9 | 22.6° | 84.4° |
| C3 | C4 | F6 | F7 | 118.6° | 120.0° |
| C3 | C4 | F6 | F5 | 127.7° | 120.0° |
| C3 | C4 | F7 | F5 | 129.0° | 120.0° |
| C26 | C11 | C12 | C10 | 179.5° | 179.9° |
| C26 | C11 | C10 | C9 | 1.2° | 0.4° |
| C26 | C11 | C12 | O13 | 170.1° | 90.1° |
| C26 | C11 | C10 | H1 | 178.7° | 179.9° |
| C26 | C11 | C12 | H11 | 51.2° | 149.9° |
| C26 | C11 | C12 | H12 | 71.0° | 29.9° |
| C11 | C26 | C27 | H22 | 179.9° | 179.9° |
| C8 | C9 | C10 | C11 | 1.7° | 0.3° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C8 | C9 | C10 | H1 | 178.2° | 180.0° |
| C9 | C8 | C27 | H22 | 179.6° | 180.0° |
| F6 | C4 | F7 | F5 | 113.0° | 120.1° |
| C12 | C11 | C10 | C9 | 179.2° | 179.7° |
| C11 | C12 | O13 | H11 | 118.8° | 120.0° |
| C11 | C12 | O13 | H12 | 118.9° | 120.0° |
| C11 | C12 | O13 | C14 | 92.4° | 180.0° |
| C12 | C11 | C10 | H1 | 0.8° | 0.1° |
| C12 | C11 | C26 | H7 | 0.2° | 0.1° |
| C11 | C12 | H11 | H12 | 123.3° | 120.0° |
| C11 | C10 | C9 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | O13 | 10.4° | 90.0° |
| C10 | C11 | C26 | H7 | 179.7° | 180.0° |
| C11 | C10 | C9 | H10 | 178.3° | 179.7° |
| C10 | C11 | C12 | H11 | 129.3° | 29.9° |
| C10 | C11 | C12 | H12 | 108.5° | 150.0° |
| C12 | O13 | C14 | NZ | 83.9° | 180.0° |
| C12 | O13 | C14 | O15 | 95.2° | 0.0° |
| O13 | C12 | H11 | H12 | 123.3° | 120.0° |
| CE | NZ | C14 | HZ | 180.0° | 180.0° |
| CE | NZ | C14 | O13 | 179.4° | 180.0° |
| NZ | CE | CD | HE2 | 119.3° | 120.0° |
| NZ | CE | CD | HE3 | 119.3° | 120.1° |
| CE | NZ | C14 | O15 | 1.5° | 0.0° |
| NZ | CE | CD | CG | 172.8° | 180.0° |
| NZ | CE | HE2 | HE3 | 122.0° | 120.1° |
| NZ | CE | CD | HD2 | 66.5° | 60.0° |
| NZ | CE | CD | HD3 | 52.0° | 60.0° |
| NZ | C14 | O13 | O15 | 179.1° | 180.0° |
| C14 | NZ | CE | CD | 83.0° | 180.0° |
| C14 | NZ | CE | HE2 | 157.7° | 60.0° |
| C14 | NZ | CE | HE3 | 36.4° | 60.0° |
| C14 | O13 | C12 | H11 | 26.4° | 60.0° |
| C14 | O13 | C12 | H12 | 148.7° | 60.0° |
| O13 | C14 | NZ | HZ | 0.6° | 0.0° |
| CE | CD | CG | HD2 | 120.7° | 120.0° |
| CE | CD | CG | HD3 | 120.7° | 120.0° |
| CE | CD | CG | CB | 170.5° | 180.0° |
| CD | CE | HE2 | HE3 | 122.0° | 120.0° |
| CD | CE | NZ | HZ | 97.0° | 0.1° |
| CE | CD | HD2 | HD3 | 117.8° | 120.0° |
| CE | CD | CG | HG2 | 50.6° | 60.0° |
| CE | CD | CG | HG3 | 69.5° | 60.0° |
| O15 | C14 | NZ | HZ | 178.5° | 180.0° |
| CD | CG | CB | HG2 | 119.9° | 120.0° |
| CD | CG | CB | HG3 | 120.0° | 120.0° |
| CD | CG | CB | CA | 78.0° | 180.0° |
| CG | CD | CE | HE2 | 53.5° | 60.0° |
| CG | CD | CE | HE3 | 67.9° | 59.9° |
| CD | CG | CB | HB2 | 161.0° | 60.0° |
| CD | CG | CB | HB3 | 42.9° | 60.0° |
| CG | CD | HD2 | HD3 | 117.8° | 120.0° |
| CD | CG | HG2 | HG3 | 120.2° | 120.0° |
| CG | CB | CA | HB2 | 121.0° | 120.0° |
| CG | CB | CA | HB3 | 121.0° | 120.0° |
| CG | CB | CA | C | 82.5° | 175.0° |
| CG | CB | CA | N | 153.6° | 65.0° |
| CG | CB | HB2 | HB3 | 117.0° | 120.1° |
| CG | CB | CA | HA | 37.6° | 55.0° |
| CB | CG | CD | HD2 | 68.8° | 60.0° |
| CB | CG | CD | HD3 | 49.8° | 60.0° |
| CB | CG | HG2 | HG3 | 120.2° | 120.0° |
| O | C | CA | CB | 22.3° | 100.0° |
| O | C | CA | OXT | 178.6° | 180.0° |
| O | C | CA | N | 146.9° | 20.0° |
| O | C | CA | HA | 97.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CB | CA | C | N | 124.6° | 120.0° |
| CB | CA | C | HA | 120.1° | 120.0° |
| CB | CA | C | OXT | 159.1° | 80.0° |
| CB | CA | N | HA | 115.6° | 120.0° |
| CA | CB | HB2 | HB3 | 116.9° | 119.9° |
| CA | CB | CG | HG2 | 41.9° | 60.0° |
| CA | CB | CG | HG3 | 162.0° | 60.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| C | CA | N | HA | 114.8° | 120.0° |
| C | CA | CB | HB2 | 38.5° | 65.0° |
| C | CA | CB | HB3 | 156.6° | 55.0° |
| C | CA | N | H | 50.4° | 64.0° |
| C | CA | N | H2 | 69.6° | 60.0° |
| CA | C | OXT | HXT | 178.7° | 180.0° |
| OXT | C | CA | N | 34.5° | 160.0° |
| OXT | C | CA | HA | 80.8° | 40.0° |
| N | CA | CB | HB2 | 85.5° | 55.0° |
| N | CA | CB | HB3 | 32.6° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| H1 | C10 | C9 | H10 | 1.8° | 0.0° |
| HE2 | CE | NZ | HZ | 22.3° | 120.0° |
| HE2 | CE | CD | HD2 | 174.2° | 180.0° |
| HE2 | CE | CD | HD3 | 67.3° | 60.0° |
| HE3 | CE | NZ | HZ | 143.6° | 120.0° |
| HE3 | CE | CD | HD2 | 52.8° | 60.1° |
| HE3 | CE | CD | HD3 | 171.3° | 180.0° |
| HB2 | CB | CA | HA | 158.5° | 175.0° |
| HB2 | CB | CG | HG2 | 79.1° | 179.9° |
| HB2 | CB | CG | HG3 | 41.0° | 60.0° |
| HB3 | CB | CA | HA | 83.4° | 65.0° |
| HB3 | CB | CG | HG2 | 162.9° | 60.0° |
| HB3 | CB | CG | HG3 | 77.0° | 180.0° |
| HA | CA | N | H | 64.4° | 56.0° |
| HA | CA | N | H2 | 175.6° | 180.0° |
| H7 | C26 | C27 | H22 | 0.1° | 0.0° |
| HD2 | CD | CG | HG2 | 171.3° | 60.0° |
| HD2 | CD | CG | HG3 | 51.2° | 180.0° |
| HD3 | CD | CG | HG2 | 70.1° | 180.0° |
| HD3 | CD | CG | HG3 | 169.7° | 60.0° |
