DJD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.19Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CD2 | CG | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | doub | 1.39Å | 1.38Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ | CE1 | sing | 1.39Å | 1.40Å | Aromatic |
| CZ | C07 | sing | 1.48Å | 1.53Å | |
| N04 | N03 | doub | 1.29Å | 1.37Å | Aromatic |
| N04 | C07 | sing | 1.33Å | 1.33Å | Aromatic |
| N03 | C02 | sing | 1.32Å | 1.33Å | Aromatic |
| C07 | N06 | doub | 1.33Å | 1.33Å | Aromatic |
| C02 | N05 | doub | 1.32Å | 1.33Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| N06 | N05 | sing | 1.29Å | 1.37Å | Aromatic |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 119.2° | 120.0° |
| O | C | OXT | 122.8° | 120.0° |
| C | CA | N | 112.7° | 109.5° |
| C | CA | CB | 110.9° | 109.5° |
| C | CA | HA | 107.6° | 109.5° |
| CA | C | OXT | 118.0° | 120.0° |
| N | CA | CB | 109.4° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.5° | 109.5° |
| CA | CB | CG | 107.4° | 109.5° |
| CB | CA | HA | 107.5° | 109.5° |
| CA | CB | HB3 | 110.0° | 109.5° |
| CA | CB | HB2 | 110.0° | 109.4° |
| CB | CG | CD2 | 118.5° | 119.9° |
| CB | CG | CD1 | 122.0° | 119.9° |
| CG | CB | HB3 | 110.0° | 109.5° |
| CG | CB | HB2 | 110.0° | 109.5° |
| CG | CD2 | CE2 | 121.1° | 120.1° |
| CD2 | CG | CD1 | 119.4° | 120.3° |
| CG | CD2 | HD2 | 119.4° | 119.9° |
| CD2 | CE2 | CZ | 119.8° | 119.9° |
| CE2 | CD2 | HD2 | 119.4° | 119.9° |
| CD2 | CE2 | HE2 | 120.1° | 120.1° |
| CG | CD1 | CE1 | 119.7° | 120.1° |
| CG | CD1 | HD1 | 120.2° | 120.0° |
| CE2 | CZ | CE1 | 119.8° | 119.8° |
| CE2 | CZ | C07 | 117.4° | 120.1° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CD1 | CE1 | CZ | 120.1° | 119.9° |
| CE1 | CD1 | HD1 | 120.2° | 119.9° |
| CD1 | CE1 | HE1 | 120.0° | 120.1° |
| CE1 | CZ | C07 | 122.7° | 120.1° |
| CZ | CE1 | HE1 | 120.0° | 120.1° |
| CZ | C07 | N04 | 114.0° | 120.1° |
| CZ | C07 | N06 | 117.3° | 120.1° |
| N03 | N04 | C07 | 122.1° | 119.9° |
| N04 | N03 | C02 | 119.3° | 120.1° |
| N04 | C07 | N06 | 117.6° | 119.8° |
| N03 | C02 | N05 | 119.9° | 120.2° |
| N03 | C02 | C01 | 119.9° | 119.9° |
| C07 | N06 | N05 | 121.0° | 119.9° |
| N05 | C02 | C01 | 120.2° | 119.9° |
| C02 | N05 | N06 | 120.0° | 120.1° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| HB3 | CB | HB2 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.9° | 180.0° |
| O | C | CA | N | 146.0° | 20.0° |
| O | C | CA | CB | 90.9° | 100.0° |
| O | C | CA | HA | 26.4° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | CB | 123.9° | 120.0° |
| C | CA | N | HA | 119.1° | 120.0° |
| C | CA | CB | HA | 117.4° | 120.0° |
| C | CA | CB | CG | 159.9° | 175.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | CB | HB3 | 80.5° | 64.9° |
| C | CA | CB | HB2 | 40.2° | 55.0° |
| CA | C | OXT | HXT | 179.9° | 180.0° |
| N | CA | CB | HA | 117.7° | 120.0° |
| N | CA | CB | CG | 75.2° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB3 | 44.5° | 55.1° |
| N | CA | CB | HB2 | 165.1° | 175.0° |
| N | CA | C | OXT | 34.0° | 160.0° |
| CA | CB | CG | HB3 | 119.7° | 120.1° |
| CA | CB | CG | HB2 | 119.7° | 120.0° |
| CA | CB | CG | CD2 | 63.1° | 90.2° |
| CA | CB | CG | CD1 | 115.4° | 90.0° |
| CB | CA | N | H | 56.1° | 60.0° |
| CB | CA | N | H2 | 176.1° | 64.0° |
| CA | CB | HB3 | HB2 | 120.9° | 119.9° |
| CB | CA | C | OXT | 89.0° | 80.0° |
| CB | CG | CD2 | CD1 | 178.6° | 179.8° |
| CB | CG | CD2 | CE2 | 179.0° | 180.0° |
| CB | CG | CD1 | CE1 | 179.0° | 180.0° |
| CG | CB | CA | HA | 42.4° | 55.0° |
| CG | CB | HB3 | HB2 | 121.0° | 120.0° |
| CB | CG | CD1 | HD1 | 1.1° | 0.1° |
| CB | CG | CD2 | HD2 | 1.0° | 0.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.4° | 0.0° |
| CD2 | CG | CD1 | CE1 | 0.4° | 0.2° |
| CD2 | CG | CB | HB3 | 177.2° | 149.7° |
| CD2 | CG | CB | HB2 | 56.5° | 29.8° |
| CD2 | CG | CD1 | HD1 | 179.6° | 179.7° |
| CG | CD2 | CE2 | HE2 | 179.5° | 179.9° |
| CE2 | CD2 | CG | CD1 | 0.4° | 0.2° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.5° | 0.3° |
| CD2 | CE2 | CZ | C07 | 178.9° | 180.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.5° | 0.1° |
| CD1 | CG | CB | HB3 | 4.2° | 30.1° |
| CD1 | CG | CB | HB2 | 124.9° | 150.0° |
| CD1 | CG | CD2 | HD2 | 179.6° | 179.8° |
| CG | CD1 | CE1 | HE1 | 179.5° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.5° | 0.3° |
| CE2 | CZ | CE1 | C07 | 179.4° | 179.7° |
| CE2 | CZ | C07 | N04 | 12.6° | 0.5° |
| CE2 | CZ | C07 | N06 | 155.8° | 180.0° |
| CZ | CE2 | CD2 | HD2 | 179.6° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.5° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | C07 | 178.8° | 180.0° |
| CE1 | CZ | C07 | N04 | 166.8° | 179.8° |
| CE1 | CZ | C07 | N06 | 23.6° | 0.3° |
| CZ | CE1 | CD1 | HD1 | 179.6° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 179.5° | 179.7° |
| CZ | C07 | N04 | N03 | 143.2° | 179.7° |
| CZ | C07 | N04 | N06 | 143.1° | 179.5° |
| CZ | C07 | N06 | N05 | 141.6° | 179.9° |
| C07 | CZ | CE1 | HE1 | 1.1° | 0.0° |
| C07 | CZ | CE2 | HE2 | 1.1° | 0.0° |
| N03 | N04 | C07 | N06 | 0.1° | 0.2° |
| N04 | N03 | C02 | N05 | 0.3° | 0.0° |
| N04 | N03 | C02 | C01 | 177.9° | 179.7° |
| C07 | N04 | N03 | C02 | 0.5° | 0.0° |
| N04 | C07 | N06 | N05 | 0.3° | 0.4° |
| N03 | C02 | N05 | C01 | 177.6° | 179.7° |
| N03 | C02 | N05 | N06 | 0.2° | 0.2° |
| N03 | C02 | C01 | H011 | 0.0° | 89.7° |
| N03 | C02 | C01 | H013 | 120.0° | 30.3° |
| N03 | C02 | C01 | H012 | 120.0° | 150.3° |
| C07 | N06 | N05 | C02 | 0.5° | 0.4° |
| N05 | C02 | C01 | H011 | 177.6° | 90.0° |
| N05 | C02 | C01 | H013 | 62.4° | 150.0° |
| N05 | C02 | C01 | H012 | 57.6° | 30.0° |
| C01 | C02 | N05 | N06 | 177.4° | 179.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| H | N | CA | HA | 60.8° | 180.0° |
| H2 | N | CA | HA | 59.2° | 56.0° |
| HA | CA | CB | HB3 | 162.1° | 175.0° |
| HA | CA | CB | HB2 | 77.2° | 65.1° |
| HA | CA | C | OXT | 153.7° | 40.0° |
| HD1 | CD1 | CE1 | HE1 | 0.4° | 0.1° |
| HD2 | CD2 | CE2 | HE2 | 0.5° | 0.1° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
