KY1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | CB | sing | 1.53Å | 1.50Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | HAC1 | sing | 1.09Å | 1.10Å | |
| CA | HAC2 | sing | 1.09Å | 1.10Å | |
| CB | C1 | sing | 1.51Å | 1.50Å | |
| CB | HBC1 | sing | 1.09Å | 1.10Å | |
| CB | HBC2 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.39Å | 1.41Å | Aromatic |
| CG | CD2 | sing | 1.41Å | 1.42Å | Aromatic |
| CG | N1 | sing | 1.39Å | 1.37Å | |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE2 | CD2 | doub | 1.40Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CD2 | C1 | sing | 1.47Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C1 | O2 | doub | 1.21Å | 1.23Å | |
| N1 | H1N1 | sing | 0.97Å | 1.00Å | |
| N1 | H1N2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | CA | C | 108.9° | 109.5° |
| CB | CA | HAC1 | 109.8° | 109.5° |
| CB | CA | HAC2 | 109.7° | 109.4° |
| CA | CB | C1 | 109.0° | 109.5° |
| CA | CB | HBC1 | 109.7° | 109.5° |
| CA | CB | HBC2 | 109.6° | 109.5° |
| C | CA | HAC1 | 109.8° | 109.5° |
| C | CA | HAC2 | 109.7° | 109.5° |
| CA | C | O | 119.8° | 120.0° |
| CA | C | OXT | 119.1° | 120.0° |
| HAC1 | CA | HAC2 | 109.0° | 109.4° |
| C1 | CB | HBC1 | 109.7° | 109.5° |
| C1 | CB | HBC2 | 109.6° | 109.5° |
| CB | C1 | CD2 | 121.8° | 120.0° |
| CB | C1 | O2 | 119.2° | 120.1° |
| HBC1 | CB | HBC2 | 109.1° | 109.5° |
| CD1 | CG | CD2 | 118.4° | 119.6° |
| CD1 | CG | N1 | 119.9° | 120.1° |
| CG | CD1 | CE1 | 120.8° | 120.1° |
| CG | CD1 | HD1 | 119.6° | 120.0° |
| CD2 | CG | N1 | 121.7° | 120.2° |
| CG | CD2 | CE2 | 119.3° | 119.5° |
| CG | CD2 | C1 | 120.4° | 120.2° |
| CG | N1 | H1N1 | 109.5° | 120.1° |
| CG | N1 | H1N2 | 109.5° | 120.0° |
| CE1 | CD1 | HD1 | 119.6° | 119.9° |
| CD1 | CE1 | CZ | 121.0° | 120.5° |
| CD1 | CE1 | HE1 | 119.5° | 119.8° |
| CZ | CE1 | HE1 | 119.5° | 119.7° |
| CE1 | CZ | CE2 | 118.3° | 120.4° |
| CE1 | CZ | HZ | 120.9° | 119.8° |
| CE2 | CZ | HZ | 120.8° | 119.8° |
| CZ | CE2 | CD2 | 122.2° | 119.9° |
| CZ | CE2 | HE2 | 118.9° | 120.0° |
| CD2 | CE2 | HE2 | 118.9° | 120.1° |
| CE2 | CD2 | C1 | 120.3° | 120.2° |
| CD2 | C1 | O2 | 119.0° | 120.0° |
| O | C | OXT | 121.1° | 120.0° |
| C | OXT | HXT | 109.5° | 120.0° |
| H1N1 | N1 | H1N2 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | CA | C | HAC1 | 120.2° | 120.0° |
| CB | CA | C | HAC2 | 120.0° | 120.0° |
| CB | CA | HAC1 | HAC2 | 120.2° | 120.0° |
| CA | CB | C1 | HBC1 | 120.2° | 120.0° |
| CA | CB | C1 | HBC2 | 120.0° | 120.0° |
| CA | CB | HBC1 | HBC2 | 120.2° | 120.0° |
| CA | CB | C1 | CD2 | 119.8° | 180.0° |
| CB | CA | C | O | 109.6° | 0.0° |
| CB | CA | C | OXT | 70.8° | 179.9° |
| CA | CB | C1 | O2 | 59.2° | 0.0° |
| C | CA | HAC1 | HAC2 | 120.1° | 120.0° |
| C | CA | CB | C1 | 56.4° | 180.0° |
| C | CA | CB | HBC1 | 63.7° | 60.0° |
| C | CA | CB | HBC2 | 176.4° | 60.0° |
| CA | C | O | OXT | 179.5° | 180.0° |
| CA | C | OXT | HXT | 179.6° | 180.0° |
| HAC1 | CA | CB | C1 | 63.8° | 60.0° |
| HAC1 | CA | CB | HBC1 | 176.1° | 180.0° |
| HAC1 | CA | CB | HBC2 | 56.2° | 60.0° |
| HAC1 | CA | C | O | 130.2° | 120.0° |
| HAC1 | CA | C | OXT | 49.4° | 60.0° |
| HAC2 | CA | CB | C1 | 176.5° | 60.0° |
| HAC2 | CA | CB | HBC1 | 56.3° | 60.0° |
| HAC2 | CA | CB | HBC2 | 63.5° | 180.0° |
| HAC2 | CA | C | O | 10.4° | 120.0° |
| HAC2 | CA | C | OXT | 169.2° | 60.0° |
| C1 | CB | HBC1 | HBC2 | 120.1° | 120.0° |
| CB | C1 | CD2 | CG | 180.0° | 174.8° |
| CB | C1 | CD2 | CE2 | 0.5° | 5.8° |
| CB | C1 | CD2 | O2 | 179.0° | 180.0° |
| HBC1 | CB | C1 | CD2 | 0.4° | 60.0° |
| HBC1 | CB | C1 | O2 | 179.4° | 120.0° |
| HBC2 | CB | C1 | CD2 | 120.2° | 60.0° |
| HBC2 | CB | C1 | O2 | 60.8° | 120.0° |
| CD1 | CG | CD2 | N1 | 179.1° | 179.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.7° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.3° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.5° | 0.6° |
| CD1 | CG | CD2 | C1 | 179.0° | 180.0° |
| CD1 | CG | N1 | H1N1 | 132.8° | 5.7° |
| CD1 | CG | N1 | H1N2 | 107.1° | 174.0° |
| CD2 | CG | CD1 | CE1 | 0.6° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.4° | 179.7° |
| CG | CD2 | CE2 | CZ | 0.5° | 0.6° |
| CG | CD2 | CE2 | C1 | 179.5° | 179.5° |
| CG | CD2 | CE2 | HE2 | 179.5° | 179.7° |
| CG | CD2 | C1 | O2 | 1.0° | 5.2° |
| CD2 | CG | N1 | H1N1 | 46.3° | 174.1° |
| CD2 | CG | N1 | H1N2 | 73.7° | 6.2° |
| N1 | CG | CD1 | CE1 | 179.8° | 180.0° |
| N1 | CG | CD1 | HD1 | 0.2° | 0.0° |
| N1 | CG | CD2 | CE2 | 179.6° | 179.7° |
| N1 | CG | CD2 | C1 | 0.1° | 0.2° |
| CG | N1 | H1N1 | H1N2 | 120.0° | 179.7° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.7° | 0.0° |
| CD1 | CE1 | CZ | HZ | 179.3° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.3° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.7° | 0.0° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.6° | 0.3° |
| CE1 | CZ | CE2 | HE2 | 179.4° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.3° | 180.0° |
| HE1 | CE1 | CZ | HZ | 0.7° | 0.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.7° |
| CZ | CE2 | CD2 | C1 | 179.0° | 179.9° |
| HZ | CZ | CE2 | CD2 | 179.4° | 179.7° |
| HZ | CZ | CE2 | HE2 | 0.6° | 0.0° |
| CE2 | CD2 | C1 | O2 | 179.5° | 174.2° |
| HE2 | CE2 | CD2 | C1 | 1.0° | 0.2° |
| O | C | OXT | HXT | 0.0° | 0.1° |
