KYN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.48Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CD2 | C1 | sing | 1.47Å | 1.50Å | |
| O2 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | CB | sing | 1.51Å | 1.51Å | |
| CG | N1 | sing | 1.39Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD1 | CG | doub | 1.39Å | 1.39Å | Aromatic |
| CD2 | CG | sing | 1.41Å | 1.38Å | Aromatic |
| CZ | CE1 | doub | 1.39Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE1 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE2 | CD2 | doub | 1.40Å | 1.38Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 122.5° | 120.0° |
| CA | C | OXT | 118.5° | 120.0° |
| C | CA | N | 105.0° | 109.5° |
| C | CA | CB | 110.1° | 109.5° |
| C | CA | HA | 110.6° | 109.4° |
| O | C | OXT | 119.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.1° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 110.1° | 109.5° |
| N | CA | HA | 111.1° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CD2 | C1 | O2 | 118.4° | 120.0° |
| CD2 | C1 | CB | 121.6° | 120.0° |
| C1 | CD2 | CG | 120.5° | 120.2° |
| C1 | CD2 | CE2 | 119.7° | 120.3° |
| O2 | C1 | CB | 120.0° | 120.0° |
| C1 | CB | CA | 110.3° | 109.4° |
| C1 | CB | HB | 109.2° | 109.5° |
| C1 | CB | HBA | 109.2° | 109.5° |
| CG | N1 | HN1 | 109.5° | 120.0° |
| CG | N1 | HN1A | 109.5° | 120.0° |
| N1 | CG | CD1 | 120.2° | 120.2° |
| N1 | CG | CD2 | 119.4° | 120.2° |
| HN1 | N1 | HN1A | 109.4° | 120.0° |
| CB | CA | HA | 109.9° | 109.5° |
| CA | CB | HB | 109.3° | 109.5° |
| CA | CB | HBA | 109.3° | 109.4° |
| HB | CB | HBA | 109.5° | 109.5° |
| CD1 | CG | CD2 | 120.4° | 119.6° |
| CG | CD1 | CE1 | 120.0° | 120.1° |
| CG | CD1 | HD1 | 120.0° | 119.9° |
| CG | CD2 | CE2 | 119.8° | 119.5° |
| CE1 | CZ | CE2 | 119.9° | 120.4° |
| CE1 | CZ | HZ | 120.1° | 119.8° |
| CZ | CE1 | CD1 | 119.6° | 120.5° |
| CZ | CE1 | HE1 | 120.2° | 119.7° |
| CE2 | CZ | HZ | 120.0° | 119.8° |
| CZ | CE2 | CD2 | 120.3° | 119.9° |
| CZ | CE2 | HE2 | 119.8° | 120.1° |
| CE1 | CD1 | HD1 | 120.0° | 120.0° |
| CD1 | CE1 | HE1 | 120.2° | 119.8° |
| CD2 | CE2 | HE2 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 176.8° | 179.8° |
| C | CA | N | CB | 118.5° | 120.0° |
| C | CA | N | HA | 119.6° | 120.0° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| CA | C | OXT | HXT | 177.0° | 180.0° |
| C | CA | CB | C1 | 161.2° | 175.0° |
| C | CA | CB | HA | 122.0° | 120.0° |
| C | CA | CB | HB | 41.1° | 55.0° |
| C | CA | CB | HBA | 78.7° | 65.0° |
| O | C | CA | N | 40.8° | 19.7° |
| O | C | OXT | HXT | 0.0° | 0.2° |
| O | C | CA | CB | 77.6° | 100.3° |
| O | C | CA | HA | 160.8° | 139.8° |
| OXT | C | CA | N | 136.0° | 160.0° |
| OXT | C | CA | CB | 105.5° | 80.0° |
| OXT | C | CA | HA | 16.1° | 40.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | C1 | 83.5° | 65.0° |
| N | CA | CB | HA | 122.7° | 120.0° |
| N | CA | CB | HB | 156.3° | 175.0° |
| N | CA | CB | HBA | 36.6° | 55.0° |
| H | N | CA | CB | 61.5° | 176.1° |
| H | N | CA | HA | 60.4° | 56.0° |
| H2 | N | CA | CB | 178.5° | 60.0° |
| H2 | N | CA | HA | 59.6° | 180.0° |
| CD2 | C1 | O2 | CB | 179.8° | 180.0° |
| C1 | CD2 | CG | N1 | 0.2° | 0.0° |
| CD2 | C1 | CB | CA | 166.8° | 180.0° |
| CD2 | C1 | CB | HB | 46.7° | 60.0° |
| CD2 | C1 | CB | HBA | 73.0° | 60.0° |
| C1 | CD2 | CG | CD1 | 179.8° | 179.7° |
| C1 | CD2 | CG | CE2 | 179.8° | 180.0° |
| C1 | CD2 | CE2 | CZ | 179.9° | 180.0° |
| C1 | CD2 | CE2 | HE2 | 0.1° | 0.3° |
| O2 | C1 | CB | CA | 13.0° | 0.0° |
| O2 | C1 | CB | HB | 133.1° | 120.0° |
| O2 | C1 | CB | HBA | 107.1° | 120.0° |
| O2 | C1 | CD2 | CG | 177.2° | 5.7° |
| O2 | C1 | CD2 | CE2 | 2.6° | 174.2° |
| C1 | CB | CA | HB | 120.1° | 120.0° |
| C1 | CB | CA | HBA | 120.1° | 120.0° |
| C1 | CB | CA | HA | 39.2° | 55.0° |
| C1 | CB | HB | HBA | 119.6° | 120.0° |
| CB | C1 | CD2 | CG | 2.6° | 174.3° |
| CB | C1 | CD2 | CE2 | 177.6° | 5.8° |
| CG | N1 | HN1 | HN1A | 120.0° | 179.9° |
| N1 | CG | CD1 | CD2 | 180.0° | 179.8° |
| N1 | CG | CD1 | CE1 | 179.9° | 180.0° |
| N1 | CG | CD1 | HD1 | 0.1° | 0.0° |
| N1 | CG | CD2 | CE2 | 180.0° | 180.0° |
| HN1 | N1 | CG | CD1 | 180.0° | 5.3° |
| HN1 | N1 | CG | CD2 | 0.0° | 174.9° |
| HN1A | N1 | CG | CD1 | 60.0° | 174.6° |
| HN1A | N1 | CG | CD2 | 119.9° | 5.2° |
| CA | CB | HB | HBA | 119.7° | 120.0° |
| HA | CA | CB | HB | 80.9° | 65.0° |
| HA | CA | CB | HBA | 159.3° | 175.0° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.0° | 0.2° |
| CG | CD1 | CE1 | HE1 | 179.9° | 179.8° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.0° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.2° |
| CD2 | CG | CD1 | HD1 | 179.8° | 179.8° |
| CG | CD2 | CE2 | HE2 | 179.9° | 179.7° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.7° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.7° |
| CZ | CE1 | CD1 | HD1 | 179.8° | 180.0° |
| 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° |
| CE2 | CZ | CE1 | HE1 | 180.0° | 180.0° |
| HZ | CZ | CE1 | CD1 | 180.0° | 180.0° |
| HZ | CZ | CE2 | CD2 | 179.9° | 180.0° |
| HZ | CZ | CE1 | HE1 | 0.0° | 0.2° |
| HZ | CZ | CE2 | HE2 | 0.1° | 0.3° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.2° |
