1JM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAL | doub | 1.21Å | 1.25Å | |
| CE2 | CD2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CZ | sing | 1.40Å | 1.39Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CZ | sing | 1.48Å | 1.39Å | |
| CAL | OAB | sing | 1.35Å | 1.25Å | |
| CZ | CE1 | doub | 1.40Å | 1.39Å | Aromatic |
| C | CA | sing | 1.51Å | 1.56Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| CA | N | sing | 1.47Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CG | CB | sing | 1.51Å | 1.41Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| N | CAA | sing | 1.47Å | 1.49Å | |
| CE1 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H4 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| CB | H11 | sing | 1.09Å | 1.10Å | |
| CD1 | H12 | sing | 1.08Å | 1.08Å | |
| CE1 | H13 | sing | 1.08Å | 1.08Å | |
| OAB | H14 | sing | 0.97Å | 0.95Å | |
| CE2 | H15 | sing | 1.08Å | 1.08Å | |
| CD2 | H16 | sing | 1.08Å | 1.08Å | |
| C | O | doub | 1.21Å | 86.36Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAL | CZ | 119.4° | 120.0° |
| OAD | CAL | OAB | 120.0° | 120.0° |
| CD2 | CE2 | CZ | 120.2° | 119.8° |
| CE2 | CD2 | CG | 120.3° | 120.2° |
| CD2 | CE2 | H15 | 119.9° | 120.1° |
| CE2 | CD2 | H16 | 119.8° | 119.9° |
| CE2 | CZ | CAL | 120.0° | 120.2° |
| CE2 | CZ | CE1 | 119.8° | 119.7° |
| CZ | CE2 | H15 | 119.9° | 120.1° |
| CD2 | CG | CB | 121.8° | 119.9° |
| CD2 | CG | CD1 | 119.2° | 120.3° |
| CG | CD2 | H16 | 119.8° | 119.9° |
| CZ | CAL | OAB | 120.6° | 120.0° |
| CAL | CZ | CE1 | 120.2° | 120.1° |
| CAL | OAB | H14 | 109.5° | 117.0° |
| CZ | CE1 | CD1 | 120.1° | 119.9° |
| CZ | CE1 | H13 | 120.0° | 120.0° |
| CA | C | OXT | 114.7° | 120.0° |
| C | CA | N | 110.4° | 109.5° |
| C | CA | CB | 111.6° | 109.4° |
| C | CA | HA | 107.2° | 109.5° |
| CA | C | O | 98.8° | 119.9° |
| OXT | C | O | 145.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CA | CB | 112.3° | 109.5° |
| CA | N | CAA | 125.1° | 111.0° |
| CA | N | H | 105.5° | 111.0° |
| N | CA | HA | 107.9° | 109.5° |
| CA | CB | CG | 113.0° | 109.5° |
| CB | CA | HA | 107.2° | 109.4° |
| CA | CB | H10 | 108.6° | 109.5° |
| CA | CB | H11 | 108.6° | 109.5° |
| CB | CG | CD1 | 119.0° | 119.8° |
| CG | CB | H10 | 108.6° | 109.5° |
| CG | CB | H11 | 108.6° | 109.5° |
| CG | CD1 | CE1 | 120.5° | 120.1° |
| CG | CD1 | H12 | 119.8° | 119.9° |
| N | CAA | H1 | 109.5° | 109.4° |
| N | CAA | H4 | 109.5° | 109.5° |
| N | CAA | H3 | 109.5° | 109.5° |
| CAA | N | H | 105.4° | 111.0° |
| CE1 | CD1 | H12 | 119.8° | 119.9° |
| CD1 | CE1 | H13 | 120.0° | 120.1° |
| H1 | CAA | H4 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAA | H3 | 109.5° | 109.5° |
| H10 | CB | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAL | CZ | CE2 | 46.6° | 179.9° |
| OAD | CAL | CZ | OAB | 179.4° | 180.0° |
| OAD | CAL | CZ | CE1 | 132.9° | 0.0° |
| OAD | CAL | OAB | H14 | 0.0° | 0.1° |
| CD2 | CE2 | CZ | H15 | 180.0° | 179.6° |
| CE2 | CD2 | CG | H16 | 180.0° | 179.5° |
| CD2 | CE2 | CZ | CAL | 179.7° | 179.7° |
| CD2 | CE2 | CZ | CE1 | 0.2° | 0.2° |
| CE2 | CD2 | CG | CB | 180.0° | 179.7° |
| CE2 | CD2 | CG | CD1 | 0.4° | 0.5° |
| CZ | CE2 | CD2 | CG | 0.2° | 0.5° |
| CE2 | CZ | CAL | CE1 | 179.5° | 179.9° |
| CE2 | CZ | CAL | OAB | 134.0° | 0.0° |
| CE2 | CZ | CE1 | CD1 | 0.3° | 0.1° |
| CE2 | CZ | CE1 | H13 | 179.7° | 180.0° |
| CZ | CE2 | CD2 | H16 | 179.8° | 180.0° |
| CD2 | CG | CB | CA | 50.3° | 90.3° |
| CD2 | CG | CB | CD1 | 179.6° | 179.8° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.3° |
| CD2 | CG | CB | H10 | 170.8° | 149.8° |
| CD2 | CG | CB | H11 | 70.2° | 29.7° |
| CD2 | CG | CD1 | H12 | 179.7° | 179.8° |
| CG | CD2 | CE2 | H15 | 179.9° | 180.0° |
| CAL | CZ | CE1 | CD1 | 179.8° | 180.0° |
| CAL | CZ | CE1 | H13 | 0.2° | 0.1° |
| CZ | CAL | OAB | H14 | 179.4° | 180.0° |
| CAL | CZ | CE2 | H15 | 0.3° | 0.2° |
| OAB | CAL | CZ | CE1 | 46.5° | 179.9° |
| CZ | CE1 | CD1 | CG | 0.0° | 0.0° |
| CZ | CE1 | CD1 | H13 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | H12 | 180.0° | 179.9° |
| CE1 | CZ | CE2 | H15 | 179.8° | 179.7° |
| CA | C | OXT | O | 161.9° | 180.0° |
| C | CA | N | CB | 125.2° | 120.0° |
| C | CA | N | HA | 116.8° | 120.1° |
| C | CA | CB | HA | 117.1° | 120.0° |
| C | CA | CB | CG | 45.7° | 175.0° |
| C | CA | N | CAA | 31.8° | 85.1° |
| C | CA | N | H | 90.3° | 151.1° |
| C | CA | CB | H10 | 74.8° | 55.0° |
| C | CA | CB | H11 | 166.3° | 65.0° |
| CA | C | OXT | HXT | 161.8° | 180.0° |
| OXT | C | CA | N | 79.1° | 180.0° |
| OXT | C | CA | CB | 46.5° | 60.0° |
| OXT | C | CA | HA | 163.6° | 59.9° |
| N | CA | CB | HA | 118.4° | 120.0° |
| N | CA | CB | CG | 170.3° | 65.0° |
| CA | N | CAA | H | 122.1° | 123.9° |
| CA | N | CAA | H1 | 180.0° | 60.0° |
| CA | N | CAA | H4 | 60.0° | 59.9° |
| CA | N | CAA | H3 | 60.0° | 180.0° |
| N | CA | CB | H10 | 49.8° | 175.0° |
| N | CA | CB | H11 | 69.2° | 55.0° |
| N | CA | C | O | 111.3° | 0.0° |
| CA | CB | CG | H10 | 120.5° | 120.0° |
| CA | CB | CG | H11 | 120.5° | 120.0° |
| CA | CB | CG | CD1 | 130.1° | 90.0° |
| CB | CA | N | CAA | 93.4° | 155.0° |
| CB | CA | N | H | 144.5° | 31.1° |
| CA | CB | H10 | H11 | 118.4° | 120.0° |
| CB | CA | C | O | 123.1° | 120.0° |
| CB | CG | CD1 | CE1 | 179.9° | 180.0° |
| CG | CB | CA | HA | 71.3° | 55.0° |
| CG | CB | H10 | H11 | 118.4° | 120.0° |
| CB | CG | CD1 | H12 | 0.1° | 0.0° |
| CB | CG | CD2 | H16 | 0.0° | 0.2° |
| CG | CD1 | CE1 | H12 | 180.0° | 180.0° |
| CD1 | CG | CB | H10 | 9.6° | 30.0° |
| CD1 | CG | CB | H11 | 109.3° | 150.0° |
| CG | CD1 | CE1 | H13 | 180.0° | 180.0° |
| CD1 | CG | CD2 | H16 | 179.6° | 180.0° |
| N | CAA | H1 | H4 | 120.0° | 120.0° |
| N | CAA | H1 | H3 | 120.0° | 119.9° |
| N | CAA | H4 | H3 | 120.0° | 120.0° |
| CAA | N | CA | HA | 148.6° | 35.0° |
| H1 | CAA | H4 | H3 | 120.0° | 120.0° |
| H1 | CAA | N | H | 57.9° | 176.0° |
| H4 | CAA | N | H | 177.8° | 64.0° |
| H3 | CAA | N | H | 62.2° | 56.1° |
| H | N | CA | HA | 26.5° | 88.9° |
| HA | CA | CB | H10 | 168.2° | 65.0° |
| HA | CA | CB | H11 | 49.2° | 175.0° |
| HA | CA | C | O | 6.0° | 120.1° |
| H12 | CD1 | CE1 | H13 | 0.0° | 0.0° |
| H15 | CE2 | CD2 | H16 | 0.2° | 0.5° |
| O | C | OXT | HXT | 0.0° | 0.0° |
