9VF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | SI | sing | 1.86Å | 1.89Å | |
| C3 | SI | sing | 1.86Å | 1.87Å | |
| C4 | SI | sing | 1.86Å | 1.89Å | |
| SI | C5 | sing | 1.86Å | 1.89Å | |
| C5 | O6 | sing | 1.45Å | 1.45Å | |
| NZ | CE | sing | 1.46Å | 1.44Å | |
| NZ | C7 | sing | 1.35Å | 1.43Å | |
| O8 | C7 | doub | 1.21Å | 1.18Å | |
| CE | CG | sing | 1.53Å | 1.53Å | |
| C7 | O6 | sing | 1.35Å | 1.43Å | |
| CG | CD | sing | 1.53Å | 1.54Å | |
| CD | CB | sing | 1.53Å | 1.55Å | |
| O | C | doub | 1.21Å | 1.39Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| C | CA | sing | 1.51Å | 1.57Å | |
| C | OXT | sing | 1.34Å | 1.37Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| 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 | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| NZ | HZ | sing | 0.97Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | SI | C3 | 99.0° | 109.5° |
| C1 | SI | C4 | 101.1° | 109.5° |
| C1 | SI | C5 | 118.5° | 109.5° |
| SI | C1 | H11 | 109.5° | 109.5° |
| SI | C1 | H12 | 109.5° | 109.5° |
| SI | C1 | H13 | 109.5° | 109.5° |
| C3 | SI | C4 | 123.0° | 109.5° |
| C3 | SI | C5 | 105.5° | 109.4° |
| SI | C3 | H31 | 109.5° | 109.5° |
| SI | C3 | H32 | 109.5° | 109.5° |
| SI | C3 | H33 | 109.4° | 109.4° |
| C4 | SI | C5 | 110.2° | 109.5° |
| SI | C4 | H41 | 109.5° | 109.4° |
| SI | C4 | H42 | 109.4° | 109.5° |
| SI | C4 | H43 | 109.5° | 109.4° |
| SI | C5 | O6 | 111.8° | 109.5° |
| SI | C5 | H51 | 108.9° | 109.4° |
| SI | C5 | H52 | 108.9° | 109.5° |
| C5 | O6 | C7 | 121.5° | 117.0° |
| O6 | C5 | H51 | 108.9° | 109.5° |
| O6 | C5 | H52 | 108.9° | 109.5° |
| CE | NZ | C7 | 112.0° | 120.0° |
| NZ | CE | CG | 106.9° | 109.5° |
| NZ | CE | HE2 | 110.1° | 109.4° |
| NZ | CE | HE3 | 110.1° | 109.5° |
| CE | NZ | HZ | 124.0° | 120.0° |
| NZ | C7 | O8 | 112.7° | 120.0° |
| NZ | C7 | O6 | 128.4° | 120.0° |
| C7 | NZ | HZ | 124.0° | 120.0° |
| O8 | C7 | O6 | 118.9° | 120.0° |
| CE | CG | CD | 113.8° | 109.5° |
| CG | CE | HE2 | 110.1° | 109.5° |
| CG | CE | HE3 | 110.1° | 109.5° |
| CE | CG | HG2 | 108.4° | 109.4° |
| CE | CG | HG3 | 108.3° | 109.5° |
| CG | CD | CB | 119.1° | 109.5° |
| CD | CG | HG2 | 108.4° | 109.5° |
| CD | CG | HG3 | 108.4° | 109.5° |
| CG | CD | HD2 | 107.0° | 109.5° |
| CG | CD | HD3 | 107.0° | 109.5° |
| CD | CB | CA | 117.0° | 109.5° |
| CD | CB | HB2 | 107.6° | 109.5° |
| CD | CB | HB3 | 107.5° | 109.5° |
| CB | CD | HD2 | 107.0° | 109.5° |
| CB | CD | HD3 | 107.0° | 109.4° |
| O | C | CA | 128.7° | 120.0° |
| O | C | OXT | 117.0° | 120.0° |
| CB | CA | C | 123.5° | 109.5° |
| CB | CA | N | 111.4° | 109.5° |
| CA | CB | HB2 | 107.5° | 109.4° |
| CA | CB | HB3 | 107.5° | 109.5° |
| CB | CA | HA | 104.5° | 109.5° |
| CA | C | OXT | 114.3° | 120.0° |
| C | CA | N | 105.9° | 109.5° |
| C | CA | HA | 104.3° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CA | HA | 105.7° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| HE2 | CE | HE3 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H13 | 109.4° | 109.4° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H31 | C3 | H33 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| H41 | C4 | H43 | 109.5° | 109.5° |
| H42 | C4 | H43 | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.4° | 109.4° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | SI | C3 | C4 | 109.6° | 120.0° |
| C1 | SI | C3 | C5 | 123.1° | 120.0° |
| C1 | SI | C4 | C5 | 126.2° | 120.0° |
| C1 | SI | C5 | O6 | 162.5° | 60.0° |
| SI | C1 | H11 | H12 | 120.0° | 120.0° |
| SI | C1 | H11 | H13 | 120.0° | 120.0° |
| SI | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | SI | C3 | H31 | 180.0° | 60.0° |
| C1 | SI | C3 | H32 | 60.0° | 180.0° |
| C1 | SI | C3 | H33 | 60.0° | 60.0° |
| C1 | SI | C4 | H41 | 180.0° | 60.0° |
| C1 | SI | C4 | H42 | 60.0° | 180.0° |
| C1 | SI | C4 | H43 | 60.0° | 60.0° |
| C1 | SI | C5 | H51 | 42.2° | 60.1° |
| C1 | SI | C5 | H52 | 77.1° | 180.0° |
| C3 | SI | C4 | C5 | 125.3° | 120.0° |
| C3 | SI | C5 | O6 | 52.8° | 60.0° |
| C3 | SI | C1 | H11 | 180.0° | 60.0° |
| C3 | SI | C1 | H12 | 60.0° | 180.0° |
| C3 | SI | C1 | H13 | 60.0° | 60.0° |
| SI | C3 | H31 | H32 | 120.0° | 120.0° |
| SI | C3 | H31 | H33 | 120.0° | 120.0° |
| SI | C3 | H32 | H33 | 120.0° | 120.0° |
| C3 | SI | C4 | H41 | 71.5° | 180.0° |
| C3 | SI | C4 | H42 | 168.5° | 60.0° |
| C3 | SI | C4 | H43 | 48.6° | 60.0° |
| C3 | SI | C5 | H51 | 67.5° | 179.9° |
| C3 | SI | C5 | H52 | 173.2° | 60.0° |
| C4 | SI | C5 | O6 | 81.9° | 180.0° |
| C4 | SI | C1 | H11 | 53.7° | 180.0° |
| C4 | SI | C1 | H12 | 173.7° | 60.0° |
| C4 | SI | C1 | H13 | 66.3° | 60.0° |
| C4 | SI | C3 | H31 | 70.4° | 60.0° |
| C4 | SI | C3 | H32 | 49.6° | 60.0° |
| C4 | SI | C3 | H33 | 169.6° | 180.0° |
| SI | C4 | H41 | H42 | 120.0° | 120.0° |
| SI | C4 | H41 | H43 | 120.0° | 120.0° |
| SI | C4 | H42 | H43 | 120.0° | 120.0° |
| C4 | SI | C5 | H51 | 157.8° | 60.0° |
| C4 | SI | C5 | H52 | 38.5° | 59.9° |
| SI | C5 | O6 | H51 | 120.4° | 120.0° |
| SI | C5 | O6 | H52 | 120.4° | 120.0° |
| SI | C5 | O6 | C7 | 32.4° | 75.0° |
| C5 | SI | C1 | H11 | 66.8° | 60.0° |
| C5 | SI | C1 | H12 | 53.3° | 60.0° |
| C5 | SI | C1 | H13 | 173.3° | 180.0° |
| C5 | SI | C3 | H31 | 56.9° | 180.0° |
| C5 | SI | C3 | H32 | 176.9° | 60.0° |
| C5 | SI | C3 | H33 | 63.1° | 60.0° |
| C5 | SI | C4 | H41 | 53.8° | 60.0° |
| C5 | SI | C4 | H42 | 66.2° | 60.0° |
| C5 | SI | C4 | H43 | 173.9° | 180.0° |
| SI | C5 | H51 | H52 | 118.9° | 119.9° |
| C5 | O6 | C7 | NZ | 48.3° | 180.0° |
| C5 | O6 | C7 | O8 | 133.5° | 0.0° |
| O6 | C5 | H51 | H52 | 118.9° | 120.0° |
| CE | NZ | C7 | HZ | 180.0° | 180.0° |
| CE | NZ | C7 | O8 | 17.1° | 0.0° |
| NZ | CE | CG | HE2 | 119.6° | 120.0° |
| NZ | CE | CG | HE3 | 119.6° | 120.0° |
| CE | NZ | C7 | O6 | 161.2° | 180.0° |
| NZ | CE | CG | CD | 167.2° | 180.0° |
| NZ | CE | HE2 | HE3 | 121.1° | 120.0° |
| NZ | CE | CG | HG2 | 72.1° | 60.0° |
| NZ | CE | CG | HG3 | 46.6° | 60.0° |
| NZ | C7 | O8 | O6 | 178.4° | 180.0° |
| C7 | NZ | CE | CG | 91.2° | 180.0° |
| C7 | NZ | CE | HE2 | 149.2° | 60.0° |
| C7 | NZ | CE | HE3 | 28.4° | 60.0° |
| O8 | C7 | NZ | HZ | 162.9° | 180.0° |
| CE | CG | CD | HG2 | 120.6° | 119.9° |
| CE | CG | CD | HG3 | 120.6° | 120.0° |
| CE | CG | CD | CB | 162.5° | 180.0° |
| CG | CE | HE2 | HE3 | 121.2° | 120.0° |
| CE | CG | HG2 | HG3 | 118.0° | 120.0° |
| CE | CG | CD | HD2 | 41.1° | 60.0° |
| CE | CG | CD | HD3 | 76.2° | 60.0° |
| CG | CE | NZ | HZ | 88.7° | 0.0° |
| C7 | O6 | C5 | H51 | 152.8° | 165.0° |
| C7 | O6 | C5 | H52 | 88.0° | 45.0° |
| O6 | C7 | NZ | HZ | 18.8° | 0.1° |
| CG | CD | CB | HD2 | 121.4° | 120.0° |
| CG | CD | CB | HD3 | 121.3° | 120.0° |
| CG | CD | CB | CA | 58.8° | 180.0° |
| CD | CG | CE | HE2 | 47.6° | 60.0° |
| CD | CG | CE | HE3 | 73.2° | 60.0° |
| CG | CD | CB | HB2 | 179.9° | 60.0° |
| CG | CD | CB | HB3 | 62.3° | 60.0° |
| CD | CG | HG2 | HG3 | 118.1° | 120.1° |
| CG | CD | HD2 | HD3 | 115.6° | 120.1° |
| CD | CB | CA | HB2 | 121.1° | 120.0° |
| CD | CB | CA | HB3 | 121.1° | 120.0° |
| CD | CB | CA | C | 108.6° | 175.0° |
| CD | CB | CA | N | 123.7° | 65.0° |
| CD | CB | HB2 | HB3 | 116.6° | 120.0° |
| CB | CD | CG | HG2 | 76.9° | 60.1° |
| CB | CD | CG | HG3 | 41.8° | 60.0° |
| CB | CD | HD2 | HD3 | 115.6° | 120.0° |
| CD | CB | CA | HA | 10.0° | 54.9° |
| O | C | CA | CB | 23.8° | 100.0° |
| O | C | CA | OXT | 177.5° | 179.9° |
| O | C | CA | N | 153.8° | 20.0° |
| O | C | CA | HA | 94.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CB | CA | C | N | 130.0° | 120.0° |
| CB | CA | C | HA | 118.7° | 120.0° |
| CB | CA | C | OXT | 158.7° | 80.0° |
| CB | CA | N | HA | 113.0° | 120.0° |
| CA | CB | HB2 | HB3 | 116.6° | 120.0° |
| CA | CB | CD | HD2 | 62.6° | 60.0° |
| CA | CB | CD | HD3 | 179.9° | 60.0° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| C | CA | N | HA | 110.3° | 120.0° |
| C | CA | CB | HB2 | 12.5° | 55.0° |
| C | CA | CB | HB3 | 130.3° | 65.0° |
| C | CA | N | H | 43.3° | 63.9° |
| C | CA | N | H2 | 76.7° | 60.0° |
| CA | C | OXT | HXT | 177.8° | 180.0° |
| OXT | C | CA | N | 28.7° | 160.0° |
| OXT | C | CA | HA | 82.7° | 40.1° |
| N | CA | CB | HB2 | 115.2° | 175.0° |
| N | CA | CB | HB3 | 2.6° | 55.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| HE2 | CE | CG | HG2 | 168.3° | 60.0° |
| HE2 | CE | CG | HG3 | 73.0° | 180.0° |
| HE2 | CE | NZ | HZ | 30.9° | 120.1° |
| HE3 | CE | CG | HG2 | 47.5° | 180.0° |
| HE3 | CE | CG | HG3 | 166.2° | 60.0° |
| HE3 | CE | NZ | HZ | 151.6° | 120.0° |
| HB2 | CB | CD | HD2 | 58.5° | 59.9° |
| HB2 | CB | CD | HD3 | 58.8° | 179.9° |
| HB2 | CB | CA | HA | 131.1° | 65.0° |
| HB3 | CB | CD | HD2 | 176.4° | 180.0° |
| HB3 | CB | CD | HD3 | 59.1° | 60.0° |
| HB3 | CB | CA | HA | 111.1° | 174.9° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H31 | C3 | H32 | H33 | 120.0° | 120.0° |
| H41 | C4 | H42 | H43 | 120.0° | 120.0° |
| HG2 | CG | CD | HD2 | 161.7° | 59.9° |
| HG2 | CG | CD | HD3 | 44.5° | 180.0° |
| HG3 | CG | CD | HD2 | 79.5° | 180.0° |
| HG3 | CG | CD | HD3 | 163.2° | 60.0° |
| HA | CA | N | H | 67.0° | 56.1° |
| HA | CA | N | H2 | 173.0° | 180.0° |
