LKE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NY | NX | doub | 1.12Å | 1.23Å | |
| N1 | CA1 | sing | 1.47Å | 1.43Å | |
| CA1 | C1 | sing | 1.51Å | 1.49Å | |
| NX | NW | doub | 1.13Å | 1.44Å | |
| CE1 | CD1 | doub | 1.35Å | 1.39Å | Aromatic |
| CE1 | CZ | sing | 1.47Å | 1.39Å | Aromatic |
| NW | CZ | sing | 1.32Å | 1.36Å | |
| C1 | N2 | doub | 1.30Å | 1.34Å | |
| C1 | N3 | sing | 1.36Å | 1.34Å | |
| N2 | CA2 | sing | 1.35Å | 1.35Å | |
| CD1 | CG2 | sing | 1.41Å | 1.36Å | Aromatic |
| CZ | CE2 | doub | 1.47Å | 1.39Å | Aromatic |
| N3 | CA3 | sing | 1.47Å | 1.43Å | |
| N3 | C2 | sing | 1.35Å | 1.27Å | |
| O3 | C3 | doub | 1.21Å | 1.36Å | |
| CA2 | C2 | sing | 1.48Å | 1.43Å | |
| CA2 | CB2 | doub | 1.39Å | 1.45Å | |
| CG2 | CB2 | sing | 1.41Å | 1.46Å | |
| CG2 | CD2 | doub | 1.41Å | 1.38Å | Aromatic |
| CA3 | C3 | sing | 1.51Å | 1.52Å | |
| CE2 | CD2 | sing | 1.35Å | 1.39Å | Aromatic |
| C2 | O2 | doub | 1.22Å | 1.48Å | |
| C3 | OXT | sing | 1.34Å | 1.45Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| CA1 | HA2 | sing | 1.09Å | 1.10Å | |
| N1 | H | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| CB2 | H8 | sing | 1.08Å | 1.08Å | |
| CD2 | H9 | sing | 1.08Å | 1.08Å | |
| CE2 | H10 | sing | 1.08Å | 1.08Å | |
| CE1 | H11 | sing | 1.08Å | 1.08Å | |
| CD1 | H12 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NY | NX | NW | 178.4° | 179.9° |
| N1 | CA1 | C1 | 102.1° | 109.4° |
| N1 | CA1 | HA1 | 111.3° | 109.5° |
| N1 | CA1 | HA2 | 111.3° | 109.5° |
| CA1 | N1 | H | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.5° | 111.0° |
| CA1 | C1 | N2 | 123.4° | 124.4° |
| CA1 | C1 | N3 | 123.4° | 124.4° |
| C1 | CA1 | HA1 | 111.2° | 109.5° |
| C1 | CA1 | HA2 | 111.3° | 109.4° |
| NX | NW | CZ | 123.5° | 120.0° |
| CD1 | CE1 | CZ | 121.5° | 119.3° |
| CE1 | CD1 | CG2 | 119.6° | 120.7° |
| CD1 | CE1 | H11 | 119.2° | 120.4° |
| CE1 | CD1 | H12 | 120.2° | 119.7° |
| CE1 | CZ | NW | 123.7° | 120.7° |
| CE1 | CZ | CE2 | 117.2° | 118.7° |
| CZ | CE1 | H11 | 119.3° | 120.4° |
| NW | CZ | CE2 | 118.1° | 120.6° |
| N2 | C1 | N3 | 113.0° | 111.3° |
| C1 | N2 | CA2 | 104.9° | 109.6° |
| C1 | N3 | CA3 | 132.8° | 125.9° |
| C1 | N3 | C2 | 105.9° | 108.2° |
| N2 | CA2 | C2 | 105.6° | 105.8° |
| N2 | CA2 | CB2 | 136.4° | 127.1° |
| CD1 | CG2 | CB2 | 125.8° | 119.3° |
| CD1 | CG2 | CD2 | 120.5° | 121.4° |
| CG2 | CD1 | H12 | 120.2° | 119.6° |
| CZ | CE2 | CD2 | 121.2° | 119.3° |
| CZ | CE2 | H10 | 119.4° | 120.4° |
| CA3 | N3 | C2 | 121.1° | 125.9° |
| N3 | CA3 | C3 | 100.5° | 109.4° |
| N3 | CA3 | HA31 | 111.7° | 109.4° |
| N3 | CA3 | HA32 | 111.7° | 109.4° |
| N3 | C2 | CA2 | 110.3° | 105.1° |
| N3 | C2 | O2 | 122.3° | 127.4° |
| O3 | C3 | CA3 | 125.4° | 120.0° |
| O3 | C3 | OXT | 116.8° | 120.0° |
| C2 | CA2 | CB2 | 118.0° | 127.1° |
| CA2 | C2 | O2 | 127.0° | 127.5° |
| CA2 | CB2 | CG2 | 118.0° | 120.0° |
| CA2 | CB2 | H8 | 121.0° | 120.0° |
| CB2 | CG2 | CD2 | 113.7° | 119.3° |
| CG2 | CB2 | H8 | 121.0° | 120.0° |
| CG2 | CD2 | CE2 | 119.7° | 120.7° |
| CG2 | CD2 | H9 | 120.1° | 119.7° |
| CA3 | C3 | OXT | 117.5° | 120.0° |
| C3 | CA3 | HA31 | 111.7° | 109.5° |
| C3 | CA3 | HA32 | 111.6° | 109.5° |
| CE2 | CD2 | H9 | 120.1° | 119.7° |
| CD2 | CE2 | H10 | 119.4° | 120.3° |
| C3 | OXT | HXT | 109.5° | 117.0° |
| HA1 | CA1 | HA2 | 109.5° | 109.5° |
| H | N1 | H2 | 109.4° | 110.9° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NY | NX | NW | CZ | 130.6° | 99.5° |
| N1 | CA1 | C1 | HA1 | 118.8° | 120.0° |
| N1 | CA1 | C1 | HA2 | 118.8° | 120.0° |
| N1 | CA1 | C1 | N2 | 100.6° | 0.0° |
| N1 | CA1 | C1 | N3 | 74.1° | 179.7° |
| N1 | CA1 | HA1 | HA2 | 123.4° | 120.0° |
| CA1 | N1 | H | H2 | 120.0° | 124.0° |
| CA1 | C1 | N2 | N3 | 175.2° | 179.7° |
| CA1 | C1 | N2 | CA2 | 179.6° | 179.9° |
| CA1 | C1 | N3 | CA3 | 3.4° | 0.1° |
| CA1 | C1 | N3 | C2 | 178.7° | 180.0° |
| C1 | CA1 | HA1 | HA2 | 123.4° | 120.0° |
| C1 | CA1 | N1 | H | 180.0° | 56.0° |
| C1 | CA1 | N1 | H2 | 60.0° | 180.0° |
| NX | NW | CZ | CE1 | 23.0° | 0.0° |
| NX | NW | CZ | CE2 | 145.0° | 180.0° |
| CD1 | CE1 | CZ | H11 | 180.0° | 179.4° |
| CD1 | CE1 | CZ | NW | 173.1° | 179.7° |
| CE1 | CD1 | CG2 | H12 | 180.0° | 179.5° |
| CD1 | CE1 | CZ | CE2 | 5.0° | 0.3° |
| CE1 | CD1 | CG2 | CB2 | 178.5° | 179.7° |
| CE1 | CD1 | CG2 | CD2 | 0.2° | 0.6° |
| CE1 | CZ | NW | CE2 | 168.0° | 180.0° |
| CZ | CE1 | CD1 | CG2 | 2.4° | 0.6° |
| CE1 | CZ | CE2 | CD2 | 5.1° | 0.1° |
| CE1 | CZ | CE2 | H10 | 174.9° | 180.0° |
| CZ | CE1 | CD1 | H12 | 177.6° | 180.0° |
| NW | CZ | CE2 | CD2 | 173.9° | 180.0° |
| NW | CZ | CE2 | H10 | 6.1° | 0.0° |
| NW | CZ | CE1 | H11 | 6.9° | 0.3° |
| N2 | C1 | N3 | CA3 | 178.6° | 179.8° |
| N2 | C1 | N3 | C2 | 6.1° | 0.3° |
| C1 | N2 | CA2 | C2 | 1.1° | 0.1° |
| C1 | N2 | CA2 | CB2 | 178.1° | 180.0° |
| N2 | C1 | CA1 | HA1 | 140.6° | 120.0° |
| N2 | C1 | CA1 | HA2 | 18.2° | 120.0° |
| N3 | C1 | N2 | CA2 | 4.4° | 0.2° |
| C1 | N3 | CA3 | C2 | 174.7° | 179.9° |
| C1 | N3 | C2 | CA2 | 5.1° | 0.2° |
| C1 | N3 | CA3 | C3 | 76.2° | 90.0° |
| C1 | N3 | C2 | O2 | 178.7° | 180.0° |
| N3 | C1 | CA1 | HA1 | 44.7° | 59.7° |
| N3 | C1 | CA1 | HA2 | 167.1° | 60.3° |
| C1 | N3 | CA3 | HA31 | 165.3° | 150.0° |
| C1 | N3 | CA3 | HA32 | 42.3° | 30.0° |
| N2 | CA2 | C2 | N3 | 2.6° | 0.0° |
| N2 | CA2 | C2 | CB2 | 177.6° | 179.9° |
| N2 | CA2 | CB2 | CG2 | 2.3° | 6.5° |
| N2 | CA2 | C2 | O2 | 175.8° | 179.9° |
| N2 | CA2 | CB2 | H8 | 177.8° | 173.5° |
| CD1 | CG2 | CB2 | CA2 | 6.1° | 171.4° |
| CD1 | CG2 | CB2 | CD2 | 178.4° | 179.7° |
| CD1 | CG2 | CD2 | CE2 | 0.0° | 0.3° |
| CD1 | CG2 | CB2 | H8 | 173.9° | 8.6° |
| CD1 | CG2 | CD2 | H9 | 180.0° | 179.7° |
| CG2 | CD1 | CE1 | H11 | 177.6° | 180.0° |
| CZ | CE2 | CD2 | CG2 | 2.8° | 0.1° |
| CZ | CE2 | CD2 | H10 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | H9 | 177.2° | 180.0° |
| CE2 | CZ | CE1 | H11 | 175.0° | 179.7° |
| N3 | CA3 | C3 | O3 | 12.5° | 0.0° |
| CA3 | N3 | C2 | CA2 | 178.9° | 179.9° |
| N3 | CA3 | C3 | HA31 | 118.5° | 120.0° |
| N3 | CA3 | C3 | HA32 | 118.5° | 120.0° |
| CA3 | N3 | C2 | O2 | 5.3° | 0.1° |
| N3 | CA3 | C3 | OXT | 161.9° | 180.0° |
| N3 | CA3 | HA31 | HA32 | 124.2° | 120.0° |
| N3 | C2 | CA2 | O2 | 173.2° | 179.8° |
| N3 | C2 | CA2 | CB2 | 175.0° | 179.8° |
| C2 | N3 | CA3 | C3 | 98.5° | 90.0° |
| C2 | N3 | CA3 | HA31 | 20.0° | 30.0° |
| C2 | N3 | CA3 | HA32 | 143.0° | 150.0° |
| O3 | C3 | CA3 | OXT | 174.3° | 179.9° |
| O3 | C3 | CA3 | HA31 | 131.0° | 119.9° |
| O3 | C3 | CA3 | HA32 | 106.1° | 120.0° |
| O3 | C3 | OXT | HXT | 0.0° | 0.1° |
| C2 | CA2 | CB2 | CG2 | 178.9° | 173.3° |
| C2 | CA2 | CB2 | H8 | 1.1° | 6.7° |
| CA2 | CB2 | CG2 | H8 | 180.0° | 180.0° |
| CA2 | CB2 | CG2 | CD2 | 172.3° | 8.9° |
| CB2 | CA2 | C2 | O2 | 1.8° | 0.0° |
| CB2 | CG2 | CD2 | CE2 | 178.5° | 180.0° |
| CB2 | CG2 | CD2 | H9 | 1.5° | 0.0° |
| CB2 | CG2 | CD1 | H12 | 1.5° | 0.3° |
| CG2 | CD2 | CE2 | H9 | 180.0° | 179.9° |
| CD2 | CG2 | CB2 | H8 | 7.7° | 171.1° |
| CG2 | CD2 | CE2 | H10 | 177.3° | 180.0° |
| CD2 | CG2 | CD1 | H12 | 179.8° | 180.0° |
| C3 | CA3 | HA31 | HA32 | 124.1° | 120.1° |
| CA3 | C3 | OXT | HXT | 174.8° | 180.0° |
| OXT | C3 | CA3 | HA31 | 43.3° | 60.0° |
| OXT | C3 | CA3 | HA32 | 79.6° | 60.1° |
| HA1 | CA1 | N1 | H | 61.2° | 176.0° |
| HA1 | CA1 | N1 | H2 | 58.8° | 60.1° |
| HA2 | CA1 | N1 | H | 61.2° | 63.9° |
| HA2 | CA1 | N1 | H2 | 178.9° | 60.0° |
| H9 | CD2 | CE2 | H10 | 2.8° | 0.1° |
| H11 | CE1 | CD1 | H12 | 2.4° | 0.5° |
