QCN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.22Å | |
| CB | CG | sing | 1.51Å | 1.48Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| C | CA | sing | 1.51Å | 1.51Å | |
| CD1 | CG | doub | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | CZ | doub | 1.39Å | 1.41Å | Aromatic |
| CA | N | sing | 1.47Å | 1.44Å | |
| CD2 | CE2 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| CZ | CE2 | sing | 1.39Å | 1.41Å | Aromatic |
| CZ | OH | sing | 1.36Å | 1.35Å | |
| CE2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| CD1 | H16 | sing | 1.08Å | 1.08Å | |
| CE1 | H17 | sing | 1.08Å | 1.08Å | |
| OH | H18 | sing | 0.97Å | 0.95Å | |
| CD2 | H19 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 36.95Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 119.4° | 120.0° |
| O | C | OXT | 123.6° | 120.0° |
| CG | CB | CA | 109.4° | 109.5° |
| CB | CG | CD1 | 120.9° | 119.9° |
| CB | CG | CD2 | 116.5° | 120.0° |
| CG | CB | H14 | 109.5° | 109.5° |
| CG | CB | H15 | 109.5° | 109.5° |
| CB | CA | C | 99.2° | 109.5° |
| CB | CA | N | 113.7° | 109.5° |
| CB | CA | HA | 111.4° | 109.4° |
| CA | CB | H14 | 109.5° | 109.4° |
| CA | CB | H15 | 109.5° | 109.5° |
| C | CA | N | 107.5° | 109.4° |
| C | CA | HA | 111.6° | 109.5° |
| CA | C | OXT | 56.8° | 120.0° |
| CG | CD1 | CE1 | 118.2° | 120.0° |
| CD1 | CG | CD2 | 122.6° | 120.1° |
| CG | CD1 | H16 | 120.9° | 120.0° |
| CD1 | CE1 | CZ | 119.0° | 120.0° |
| CE1 | CD1 | H16 | 120.9° | 120.0° |
| CD1 | CE1 | H17 | 120.5° | 120.1° |
| CG | CD2 | CE2 | 120.1° | 120.1° |
| CG | CD2 | H19 | 120.0° | 120.0° |
| CE1 | CZ | CE2 | 121.5° | 119.9° |
| CE1 | CZ | OH | 117.8° | 120.1° |
| CZ | CE1 | H17 | 120.5° | 120.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 112.6° | 109.5° |
| CD2 | CE2 | CZ | 118.6° | 119.9° |
| CD2 | CE2 | C1 | 117.9° | 120.1° |
| CE2 | CD2 | H19 | 120.0° | 119.9° |
| C2 | C1 | CE2 | 107.2° | 109.5° |
| C2 | C1 | C4 | 108.2° | 109.4° |
| C2 | C1 | C3 | 110.5° | 109.5° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H22 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| CE2 | CZ | OH | 120.7° | 120.0° |
| CZ | CE2 | C1 | 123.2° | 120.0° |
| CZ | OH | H18 | 109.5° | 114.1° |
| CE2 | C1 | C4 | 110.5° | 109.4° |
| CE2 | C1 | C3 | 111.9° | 109.5° |
| C4 | C1 | C3 | 108.5° | 109.5° |
| C1 | C4 | H7 | 109.5° | 109.5° |
| C1 | C4 | H8 | 109.5° | 109.5° |
| C1 | C4 | H9 | 109.4° | 109.5° |
| C1 | C3 | H4 | 109.5° | 109.5° |
| C1 | C3 | H5 | 109.4° | 109.4° |
| C1 | C3 | H6 | 109.5° | 109.5° |
| H1 | C2 | H22 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.5° | 109.5° |
| H22 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H9 | 109.4° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H14 | CB | H15 | 109.5° | 109.4° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | CB | 28.5° | 100.0° |
| O | C | CA | OXT | 112.9° | 180.0° |
| O | C | CA | N | 147.0° | 20.0° |
| O | C | CA | HA | 89.0° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| CG | CB | CA | H14 | 120.0° | 120.0° |
| CG | CB | CA | H15 | 120.0° | 120.0° |
| CG | CB | CA | C | 162.6° | 175.0° |
| CB | CG | CD1 | CD2 | 179.1° | 179.7° |
| CB | CG | CD1 | CE1 | 179.5° | 180.0° |
| CG | CB | CA | N | 83.6° | 65.0° |
| CB | CG | CD2 | CE2 | 178.6° | 179.8° |
| CG | CB | CA | HA | 45.0° | 55.0° |
| CG | CB | H14 | H15 | 120.0° | 120.0° |
| CB | CG | CD1 | H16 | 0.5° | 0.1° |
| CB | CG | CD2 | H19 | 1.4° | 0.0° |
| CB | CA | C | N | 118.5° | 120.0° |
| CB | CA | C | HA | 117.5° | 120.0° |
| CA | CB | CG | CD1 | 89.4° | 89.7° |
| CA | CB | CG | CD2 | 91.4° | 90.0° |
| CB | CA | N | HA | 127.9° | 120.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| CA | CB | H14 | H15 | 120.0° | 119.9° |
| CB | CA | C | OXT | 84.4° | 80.0° |
| C | CA | N | HA | 123.3° | 120.0° |
| C | CA | N | H | 71.3° | 60.0° |
| C | CA | N | H2 | 48.8° | 176.1° |
| C | CA | CB | H14 | 42.6° | 64.9° |
| C | CA | CB | H15 | 77.4° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| CG | CD1 | CE1 | H16 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.7° | 0.0° |
| CD1 | CG | CD2 | CE2 | 2.3° | 0.5° |
| CD1 | CG | CB | H14 | 30.6° | 150.3° |
| CD1 | CG | CB | H15 | 150.6° | 30.3° |
| CG | CD1 | CE1 | H17 | 179.3° | 180.0° |
| CD1 | CG | CD2 | H19 | 177.7° | 179.7° |
| CE1 | CD1 | CG | CD2 | 0.5° | 0.3° |
| CD1 | CE1 | CZ | H17 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.1° | 0.0° |
| CD1 | CE1 | CZ | OH | 179.6° | 179.9° |
| CG | CD2 | CE2 | H19 | 180.0° | 179.8° |
| CG | CD2 | CE2 | CZ | 2.8° | 0.5° |
| CG | CD2 | CE2 | C1 | 177.3° | 179.7° |
| CD2 | CG | CB | H14 | 148.6° | 30.0° |
| CD2 | CG | CB | H15 | 28.6° | 150.0° |
| CD2 | CG | CD1 | H16 | 179.6° | 179.8° |
| CE1 | CZ | CE2 | CD2 | 1.7° | 0.2° |
| CE1 | CZ | CE2 | OH | 179.5° | 179.9° |
| CE1 | CZ | CE2 | C1 | 175.8° | 180.0° |
| CZ | CE1 | CD1 | H16 | 179.2° | 180.0° |
| CE1 | CZ | OH | H18 | 180.0° | 90.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H14 | 156.5° | 55.1° |
| N | CA | CB | H15 | 36.4° | 175.0° |
| N | CA | C | OXT | 34.1° | 159.9° |
| CD2 | CE2 | C1 | C2 | 94.8° | 119.8° |
| CD2 | CE2 | CZ | C1 | 174.2° | 179.8° |
| CD2 | CE2 | CZ | OH | 177.8° | 179.7° |
| CD2 | CE2 | C1 | C4 | 22.8° | 0.2° |
| CD2 | CE2 | C1 | C3 | 143.8° | 120.2° |
| C2 | C1 | CE2 | CZ | 79.4° | 60.1° |
| C2 | C1 | CE2 | C4 | 117.7° | 120.0° |
| C2 | C1 | CE2 | C3 | 121.3° | 120.1° |
| C2 | C1 | C4 | C3 | 119.9° | 120.0° |
| C1 | C2 | H1 | H22 | 120.0° | 120.0° |
| C1 | C2 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H22 | H3 | 120.0° | 120.0° |
| C2 | C1 | C3 | H4 | 180.0° | 180.0° |
| C2 | C1 | C3 | H5 | 60.0° | 60.0° |
| C2 | C1 | C3 | H6 | 60.0° | 60.0° |
| C2 | C1 | C4 | H7 | 180.0° | 60.0° |
| C2 | C1 | C4 | H8 | 60.0° | 60.0° |
| C2 | C1 | C4 | H9 | 60.0° | 180.0° |
| CZ | CE2 | C1 | C4 | 163.0° | 180.0° |
| CZ | CE2 | C1 | C3 | 42.0° | 60.0° |
| CE2 | CZ | CE1 | H17 | 179.9° | 180.0° |
| CE2 | CZ | OH | H18 | 0.5° | 89.9° |
| CZ | CE2 | CD2 | H19 | 177.2° | 179.8° |
| OH | CZ | CE2 | C1 | 3.7° | 0.1° |
| OH | CZ | CE1 | H17 | 0.4° | 0.0° |
| CE2 | C1 | C4 | C3 | 123.0° | 120.0° |
| CE2 | C1 | C2 | H1 | 180.0° | 180.0° |
| CE2 | C1 | C2 | H22 | 60.0° | 60.1° |
| CE2 | C1 | C2 | H3 | 60.0° | 59.9° |
| CE2 | C1 | C3 | H4 | 60.6° | 59.9° |
| CE2 | C1 | C3 | H5 | 179.4° | 60.1° |
| CE2 | C1 | C3 | H6 | 59.4° | 180.0° |
| CE2 | C1 | C4 | H7 | 63.0° | 180.0° |
| CE2 | C1 | C4 | H8 | 57.1° | 60.0° |
| CE2 | C1 | C4 | H9 | 177.1° | 60.0° |
| C1 | CE2 | CD2 | H19 | 2.7° | 0.1° |
| C4 | C1 | C2 | H1 | 60.9° | 60.0° |
| C4 | C1 | C2 | H22 | 59.2° | 180.0° |
| C4 | C1 | C2 | H3 | 179.1° | 60.0° |
| C4 | C1 | C3 | H4 | 61.5° | 60.0° |
| C4 | C1 | C3 | H5 | 58.5° | 180.0° |
| C4 | C1 | C3 | H6 | 178.4° | 60.0° |
| C1 | C4 | H7 | H8 | 120.0° | 120.0° |
| C1 | C4 | H7 | H9 | 120.0° | 120.0° |
| C1 | C4 | H8 | H9 | 120.0° | 120.0° |
| C3 | C1 | C2 | H1 | 57.8° | 60.0° |
| C3 | C1 | C2 | H22 | 177.8° | 60.0° |
| C3 | C1 | C2 | H3 | 62.2° | 180.0° |
| C1 | C3 | H4 | H5 | 120.0° | 120.0° |
| C1 | C3 | H4 | H6 | 120.0° | 120.0° |
| C1 | C3 | H5 | H6 | 120.0° | 120.0° |
| C3 | C1 | C4 | H7 | 60.1° | 60.0° |
| C3 | C1 | C4 | H8 | 179.9° | 180.0° |
| C3 | C1 | C4 | H9 | 59.9° | 60.0° |
| H1 | C2 | H22 | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H7 | C4 | H8 | H9 | 120.0° | 120.0° |
| H | N | CA | HA | 52.1° | 180.0° |
| H2 | N | CA | HA | 172.1° | 56.1° |
| HA | CA | CB | H14 | 75.0° | 175.0° |
| HA | CA | CB | H15 | 165.0° | 65.0° |
| HA | CA | C | OXT | 158.1° | 40.0° |
| H16 | CD1 | CE1 | H17 | 0.7° | 0.1° |
