DV7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OI | CT | sing | 1.36Å | 1.33Å | |
| CH1 | CT | doub | 1.38Å | 1.40Å | Aromatic |
| CH1 | CZ2 | sing | 1.39Å | 1.39Å | Aromatic |
| OH1 | CZ2 | sing | 1.35Å | 1.39Å | |
| OH1 | CZ1 | sing | 1.34Å | 1.39Å | |
| OH2 | CZ1 | doub | 1.22Å | 1.22Å | |
| CT | CH2 | sing | 1.39Å | 1.39Å | Aromatic |
| CZ2 | CE2 | doub | 1.41Å | 1.42Å | Aromatic |
| CZ1 | CE1 | sing | 1.41Å | 1.44Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| CH2 | CZ3 | doub | 1.37Å | 1.34Å | Aromatic |
| CE2 | CZ3 | sing | 1.40Å | 1.42Å | Aromatic |
| CE2 | CD | sing | 1.46Å | 1.41Å | |
| CE1 | CD | doub | 1.36Å | 1.35Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.40Å | |
| CD | CG | sing | 1.51Å | 1.53Å | |
| CB | CG | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| CZ3 | H10 | sing | 1.08Å | 1.08Å | |
| CH2 | H11 | sing | 1.08Å | 1.08Å | |
| OI | H12 | sing | 0.97Å | 0.95Å | |
| CH1 | H13 | sing | 1.08Å | 1.08Å | |
| CE1 | H14 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OI | CT | CH1 | 119.1° | 119.8° |
| OI | CT | CH2 | 118.5° | 119.7° |
| CT | OI | H12 | 109.5° | 114.0° |
| CT | CH1 | CZ2 | 116.3° | 119.8° |
| CH1 | CT | CH2 | 122.4° | 120.5° |
| CT | CH1 | H13 | 121.8° | 120.1° |
| CH1 | CZ2 | OH1 | 116.4° | 120.7° |
| CH1 | CZ2 | CE2 | 122.5° | 119.4° |
| CZ2 | CH1 | H13 | 121.8° | 120.1° |
| CZ2 | OH1 | CZ1 | 119.9° | 121.4° |
| OH1 | CZ2 | CE2 | 121.1° | 119.9° |
| OH1 | CZ1 | OH2 | 116.1° | 119.2° |
| OH1 | CZ1 | CE1 | 118.4° | 121.7° |
| OH2 | CZ1 | CE1 | 125.5° | 119.1° |
| CT | CH2 | CZ3 | 120.4° | 120.4° |
| CT | CH2 | H11 | 119.8° | 119.8° |
| CZ2 | CE2 | CZ3 | 117.4° | 120.0° |
| CZ2 | CE2 | CD | 118.8° | 118.9° |
| CZ1 | CE1 | CD | 122.0° | 119.8° |
| CZ1 | CE1 | H14 | 119.0° | 120.1° |
| CA | C | O | 120.1° | 120.0° |
| C | CA | CB | 118.8° | 109.5° |
| C | CA | N | 106.2° | 109.5° |
| C | CA | HA | 108.7° | 109.5° |
| CA | C | OXT | 118.5° | 120.0° |
| O | C | OXT | 121.4° | 120.0° |
| CH2 | CZ3 | CE2 | 121.0° | 119.8° |
| CH2 | CZ3 | H10 | 119.5° | 120.1° |
| CZ3 | CH2 | H11 | 119.8° | 119.8° |
| CZ3 | CE2 | CD | 123.8° | 121.0° |
| CE2 | CZ3 | H10 | 119.5° | 120.1° |
| CE2 | CD | CE1 | 119.7° | 118.2° |
| CE2 | CD | CG | 118.2° | 120.9° |
| CE1 | CD | CG | 122.0° | 120.9° |
| CD | CE1 | H14 | 119.0° | 120.1° |
| CB | CA | N | 104.0° | 109.5° |
| CA | CB | CG | 108.0° | 109.4° |
| CB | CA | HA | 108.7° | 109.5° |
| CA | CB | H6 | 109.8° | 109.5° |
| CA | CB | H7 | 109.8° | 109.4° |
| N | CA | HA | 110.2° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CD | CG | CB | 111.3° | 109.5° |
| CD | CG | H8 | 109.0° | 109.5° |
| CD | CG | H9 | 109.0° | 109.4° |
| CG | CB | H6 | 109.8° | 109.5° |
| CG | CB | H7 | 109.9° | 109.5° |
| CB | CG | H8 | 109.0° | 109.5° |
| CB | CG | H9 | 109.0° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H6 | CB | H7 | 109.4° | 109.5° |
| H8 | CG | H9 | 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) |
| OI | CT | CH1 | CH2 | 178.7° | 180.0° |
| OI | CT | CH1 | CZ2 | 179.7° | 180.0° |
| OI | CT | CH2 | CZ3 | 180.0° | 180.0° |
| OI | CT | CH2 | H11 | 0.0° | 0.0° |
| OI | CT | CH1 | H13 | 0.3° | 0.1° |
| CT | CH1 | CZ2 | H13 | 180.0° | 179.9° |
| CT | CH1 | CZ2 | OH1 | 179.1° | 180.0° |
| CT | CH1 | CZ2 | CE2 | 0.4° | 0.0° |
| CH1 | CT | CH2 | CZ3 | 1.3° | 0.1° |
| CH1 | CT | CH2 | H11 | 178.7° | 180.0° |
| CH1 | CT | OI | H12 | 180.0° | 90.0° |
| CH1 | CZ2 | OH1 | CE2 | 179.6° | 180.0° |
| CH1 | CZ2 | OH1 | CZ1 | 179.7° | 180.0° |
| CZ2 | CH1 | CT | CH2 | 1.0° | 0.1° |
| CH1 | CZ2 | CE2 | CZ3 | 0.2° | 0.1° |
| CH1 | CZ2 | CE2 | CD | 179.7° | 180.0° |
| CZ2 | OH1 | CZ1 | OH2 | 179.4° | 180.0° |
| CZ2 | OH1 | CZ1 | CE1 | 0.8° | 0.2° |
| OH1 | CZ2 | CE2 | CZ3 | 179.4° | 179.9° |
| OH1 | CZ2 | CE2 | CD | 0.1° | 0.0° |
| OH1 | CZ2 | CH1 | H13 | 0.9° | 0.1° |
| OH1 | CZ1 | OH2 | CE1 | 179.9° | 179.8° |
| CZ1 | OH1 | CZ2 | CE2 | 0.7° | 0.0° |
| OH1 | CZ1 | CE1 | CD | 0.3° | 0.4° |
| OH1 | CZ1 | CE1 | H14 | 179.7° | 179.9° |
| OH2 | CZ1 | CE1 | CD | 179.8° | 179.8° |
| OH2 | CZ1 | CE1 | H14 | 0.1° | 0.2° |
| CT | CH2 | CZ3 | H11 | 180.0° | 179.9° |
| CT | CH2 | CZ3 | CE2 | 1.0° | 0.0° |
| CT | CH2 | CZ3 | H10 | 179.0° | 179.9° |
| CH2 | CT | OI | H12 | 1.3° | 90.0° |
| CH2 | CT | CH1 | H13 | 179.0° | 180.0° |
| CZ2 | CE2 | CZ3 | CH2 | 0.4° | 0.1° |
| CZ2 | CE2 | CZ3 | CD | 179.5° | 179.9° |
| CZ2 | CE2 | CD | CE1 | 0.4° | 0.2° |
| CZ2 | CE2 | CD | CG | 180.0° | 180.0° |
| CZ2 | CE2 | CZ3 | H10 | 179.6° | 180.0° |
| CE2 | CZ2 | CH1 | H13 | 179.5° | 179.9° |
| CZ1 | CE1 | CD | CE2 | 0.3° | 0.4° |
| CZ1 | CE1 | CD | H14 | 180.0° | 179.6° |
| CZ1 | CE1 | CD | CG | 179.9° | 179.8° |
| CA | C | O | OXT | 179.8° | 179.8° |
| C | CA | CB | N | 117.7° | 120.0° |
| C | CA | CB | HA | 124.9° | 120.0° |
| C | CA | N | HA | 117.5° | 120.0° |
| C | CA | CB | CG | 171.8° | 175.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | CB | H6 | 52.0° | 65.0° |
| C | CA | CB | H7 | 68.4° | 55.0° |
| CA | C | OXT | HXT | 179.8° | 179.9° |
| O | C | CA | CB | 75.6° | 100.0° |
| O | C | CA | N | 41.0° | 20.0° |
| O | C | CA | HA | 159.5° | 139.9° |
| O | C | OXT | HXT | 0.0° | 0.2° |
| CH2 | CZ3 | CE2 | H10 | 180.0° | 179.9° |
| CH2 | CZ3 | CE2 | CD | 179.9° | 180.0° |
| CZ3 | CE2 | CD | CE1 | 179.9° | 179.7° |
| CZ3 | CE2 | CD | CG | 0.5° | 0.0° |
| CE2 | CZ3 | CH2 | H11 | 179.0° | 180.0° |
| CE2 | CD | CE1 | CG | 179.6° | 179.7° |
| CE2 | CD | CG | CB | 75.0° | 85.0° |
| CE2 | CD | CG | H8 | 45.3° | 155.0° |
| CE2 | CD | CG | H9 | 164.8° | 35.0° |
| CD | CE2 | CZ3 | H10 | 0.1° | 0.1° |
| CE2 | CD | CE1 | H14 | 179.7° | 180.0° |
| CE1 | CD | CG | CB | 104.7° | 94.7° |
| CE1 | CD | CG | H8 | 135.0° | 25.3° |
| CE1 | CD | CG | H9 | 15.6° | 145.3° |
| CB | CA | N | HA | 116.3° | 120.1° |
| CA | CB | CG | CD | 74.0° | 180.0° |
| CA | CB | CG | H6 | 119.8° | 120.0° |
| CA | CB | CG | H7 | 119.8° | 120.0° |
| CB | CA | N | H | 53.9° | 60.0° |
| CB | CA | N | H2 | 173.9° | 64.0° |
| CA | CB | H6 | H7 | 120.6° | 120.0° |
| CA | CB | CG | H8 | 165.7° | 60.0° |
| CA | CB | CG | H9 | 46.3° | 60.0° |
| CB | CA | C | OXT | 104.6° | 79.8° |
| N | CA | CB | CG | 54.1° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H6 | 65.7° | 55.0° |
| N | CA | CB | H7 | 173.9° | 175.0° |
| N | CA | C | OXT | 138.8° | 160.2° |
| CD | CG | CB | H8 | 120.3° | 120.0° |
| CD | CG | CB | H9 | 120.3° | 120.0° |
| CD | CG | CB | H6 | 166.2° | 60.0° |
| CD | CG | CB | H7 | 45.8° | 60.0° |
| CD | CG | H8 | H9 | 119.1° | 120.0° |
| CG | CD | CE1 | H14 | 0.1° | 0.2° |
| CG | CB | CA | HA | 63.3° | 55.0° |
| CG | CB | H6 | H7 | 120.7° | 120.1° |
| CB | CG | H8 | H9 | 119.1° | 120.1° |
| HA | CA | N | H | 62.5° | 180.0° |
| HA | CA | N | H2 | 57.5° | 56.1° |
| HA | CA | CB | H6 | 176.9° | 175.0° |
| HA | CA | CB | H7 | 56.5° | 65.0° |
| HA | CA | C | OXT | 20.3° | 40.3° |
| H6 | CB | CG | H8 | 45.9° | 180.0° |
| H6 | CB | CG | H9 | 73.5° | 60.0° |
| H7 | CB | CG | H8 | 74.5° | 60.0° |
| H7 | CB | CG | H9 | 166.1° | 180.0° |
| H10 | CZ3 | CH2 | H11 | 1.0° | 0.0° |
