DI7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.35Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CD | sing | 1.51Å | 1.39Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD1 | CD | doub | 1.38Å | 1.41Å | Aromatic |
| CD | CD2 | sing | 1.38Å | 1.41Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.36Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| CE1 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.38Å | Aromatic |
| CE3 | CD1 | sing | 1.51Å | 1.41Å | |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE4 | sing | 1.51Å | 1.40Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CE3 | HE3 | sing | 1.09Å | 1.10Å | |
| CE3 | HE3A | sing | 1.09Å | 1.10Å | |
| CE3 | HE3B | sing | 1.09Å | 1.10Å | |
| CE4 | HE4 | sing | 1.09Å | 1.10Å | |
| CE4 | HE4A | sing | 1.09Å | 1.10Å | |
| CE4 | HE4B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 119.0° | 120.0° |
| CA | C | OXT | 118.8° | 120.0° |
| C | CA | N | 107.3° | 109.5° |
| C | CA | CB | 111.1° | 109.5° |
| C | CA | HA | 109.1° | 109.5° |
| O | C | OXT | 122.2° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 110.8° | 109.5° |
| N | CA | HA | 109.8° | 109.5° |
| H | N | H2 | 109.5° | 110.9° |
| CB | CA | HA | 108.7° | 109.5° |
| CA | CB | CD | 111.0° | 109.5° |
| CA | CB | HB | 109.1° | 109.5° |
| CA | CB | HBA | 109.1° | 109.5° |
| CD | CB | HB | 109.1° | 109.5° |
| CD | CB | HBA | 109.1° | 109.4° |
| CB | CD | CD1 | 121.2° | 119.9° |
| CB | CD | CD2 | 120.7° | 120.0° |
| HB | CB | HBA | 109.5° | 109.5° |
| CD1 | CD | CD2 | 118.0° | 120.1° |
| CD | CD1 | CE3 | 123.8° | 120.0° |
| CD | CD1 | CE1 | 119.8° | 120.0° |
| CD | CD2 | CE2 | 120.8° | 120.1° |
| CD | CD2 | CE4 | 123.0° | 120.0° |
| CZ | OH | HOH | 109.5° | 114.0° |
| OH | CZ | CE1 | 121.2° | 120.1° |
| OH | CZ | CE2 | 119.3° | 120.1° |
| CE1 | CZ | CE2 | 119.5° | 119.8° |
| CZ | CE1 | CD1 | 121.1° | 120.0° |
| CZ | CE1 | HE1 | 119.5° | 120.0° |
| CZ | CE2 | CD2 | 120.7° | 119.9° |
| CZ | CE2 | HE2 | 119.6° | 120.0° |
| CE3 | CD1 | CE1 | 116.3° | 119.9° |
| CD1 | CE3 | HE3 | 109.5° | 109.5° |
| CD1 | CE3 | HE3A | 109.4° | 109.5° |
| CD1 | CE3 | HE3B | 109.5° | 109.5° |
| CD1 | CE1 | HE1 | 119.5° | 120.0° |
| CE2 | CD2 | CE4 | 116.2° | 119.9° |
| CD2 | CE2 | HE2 | 119.6° | 120.1° |
| CD2 | CE4 | HE4 | 109.5° | 109.5° |
| CD2 | CE4 | HE4A | 109.5° | 109.5° |
| CD2 | CE4 | HE4B | 109.4° | 109.5° |
| HE3 | CE3 | HE3A | 109.5° | 109.5° |
| HE3 | CE3 | HE3B | 109.4° | 109.4° |
| HE3A | CE3 | HE3B | 109.5° | 109.4° |
| HE4 | CE4 | HE4A | 109.5° | 109.4° |
| HE4 | CE4 | HE4B | 109.5° | 109.5° |
| HE4A | CE4 | HE4B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 180.0° | 179.7° |
| C | CA | N | CB | 121.4° | 120.0° |
| C | CA | N | HA | 118.5° | 120.0° |
| C | CA | N | H | 180.0° | 67.2° |
| C | CA | N | H2 | 60.0° | 56.7° |
| CA | C | OXT | HXT | 180.0° | 179.7° |
| C | CA | CB | HA | 120.1° | 120.0° |
| C | CA | CB | CD | 72.7° | 174.2° |
| C | CA | CB | HB | 167.1° | 65.8° |
| C | CA | CB | HBA | 47.6° | 54.2° |
| O | C | CA | N | 138.3° | 20.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | CA | CB | 100.5° | 100.0° |
| O | C | CA | HA | 19.4° | 140.0° |
| OXT | C | CA | N | 41.7° | 160.3° |
| OXT | C | CA | CB | 79.6° | 79.7° |
| OXT | C | CA | HA | 160.6° | 40.2° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HA | 120.7° | 120.0° |
| N | CA | CB | CD | 168.1° | 65.8° |
| N | CA | CB | HB | 47.9° | 54.2° |
| N | CA | CB | HBA | 71.6° | 174.3° |
| H | N | CA | CB | 58.6° | 172.7° |
| H | N | CA | HA | 61.5° | 52.8° |
| H2 | N | CA | CB | 178.6° | 63.4° |
| H2 | N | CA | HA | 58.5° | 176.7° |
| CA | CB | CD | HB | 120.2° | 120.0° |
| CA | CB | CD | HBA | 120.2° | 120.0° |
| CA | CB | HB | HBA | 119.3° | 120.0° |
| CA | CB | CD | CD1 | 78.2° | 96.0° |
| CA | CB | CD | CD2 | 103.9° | 84.3° |
| HA | CA | CB | CD | 47.4° | 54.2° |
| HA | CA | CB | HB | 72.8° | 174.2° |
| HA | CA | CB | HBA | 167.7° | 65.7° |
| CD | CB | HB | HBA | 119.3° | 120.0° |
| CB | CD | CD1 | CD2 | 177.9° | 179.7° |
| CB | CD | CD1 | CE3 | 1.1° | 0.1° |
| CB | CD | CD1 | CE1 | 179.2° | 180.0° |
| CB | CD | CD2 | CE2 | 179.0° | 180.0° |
| CB | CD | CD2 | CE4 | 1.2° | 0.0° |
| HB | CB | CD | CD1 | 42.0° | 24.0° |
| HB | CB | CD | CD2 | 135.9° | 155.7° |
| HBA | CB | CD | CD1 | 161.5° | 144.0° |
| HBA | CB | CD | CD2 | 16.4° | 35.6° |
| CD | CD1 | CE1 | CZ | 0.7° | 0.0° |
| CD | CD1 | CE3 | CE1 | 179.7° | 180.0° |
| CD1 | CD | CD2 | CE2 | 1.1° | 0.3° |
| CD1 | CD | CD2 | CE4 | 179.1° | 179.7° |
| CD | CD1 | CE1 | HE1 | 179.3° | 180.0° |
| CD | CD1 | CE3 | HE3 | 90.1° | 84.9° |
| CD | CD1 | CE3 | HE3A | 149.9° | 155.1° |
| CD | CD1 | CE3 | HE3B | 29.9° | 35.1° |
| CD | CD2 | CE2 | CZ | 0.4° | 0.0° |
| CD2 | CD | CD1 | CE3 | 179.0° | 179.7° |
| CD2 | CD | CD1 | CE1 | 1.2° | 0.3° |
| CD | CD2 | CE2 | CE4 | 179.8° | 180.0° |
| CD | CD2 | CE2 | HE2 | 179.6° | 179.7° |
| CD | CD2 | CE4 | HE4 | 89.9° | 84.2° |
| CD | CD2 | CE4 | HE4A | 150.1° | 155.8° |
| CD | CD2 | CE4 | HE4B | 30.1° | 35.8° |
| OH | CZ | CE1 | CE2 | 179.6° | 179.7° |
| OH | CZ | CE1 | CD1 | 179.6° | 180.0° |
| OH | CZ | CE2 | CD2 | 179.5° | 180.0° |
| OH | CZ | CE1 | HE1 | 0.4° | 0.1° |
| OH | CZ | CE2 | HE2 | 0.5° | 0.3° |
| HOH | OH | CZ | CE1 | 180.0° | 90.3° |
| HOH | OH | CZ | CE2 | 0.4° | 90.0° |
| CZ | CE1 | CD1 | CE3 | 179.5° | 180.0° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.3° |
| CE1 | CZ | CE2 | HE2 | 179.9° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.0° | 0.3° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.7° |
| CZ | CE2 | CD2 | CE4 | 179.8° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 180.0° | 179.7° |
| CE3 | CD1 | CE1 | HE1 | 0.5° | 0.0° |
| CD1 | CE3 | HE3 | HE3A | 120.0° | 120.1° |
| CD1 | CE3 | HE3 | HE3B | 120.0° | 120.0° |
| CD1 | CE3 | HE3A | HE3B | 120.0° | 120.0° |
| CE1 | CD1 | CE3 | HE3 | 90.1° | 95.2° |
| CE1 | CD1 | CE3 | HE3A | 29.9° | 24.9° |
| CE1 | CD1 | CE3 | HE3B | 149.9° | 144.9° |
| CE2 | CD2 | CE4 | HE4 | 89.9° | 95.8° |
| CE2 | CD2 | CE4 | HE4A | 30.1° | 24.2° |
| CE2 | CD2 | CE4 | HE4B | 150.1° | 144.2° |
| CE4 | CD2 | CE2 | HE2 | 0.2° | 0.3° |
| CD2 | CE4 | HE4 | HE4A | 120.0° | 120.0° |
| CD2 | CE4 | HE4 | HE4B | 120.0° | 120.0° |
| CD2 | CE4 | HE4A | HE4B | 120.0° | 120.0° |
| HE3 | CE3 | HE3A | HE3B | 120.0° | 119.9° |
| HE4 | CE4 | HE4A | HE4B | 120.0° | 120.0° |
