EKO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | CB | sing | 1.43Å | 1.45Å | |
| O | CB2 | sing | 1.43Å | 1.41Å | |
| CL1 | CD1 | sing | 1.74Å | 1.79Å | |
| CL2 | CZ | sing | 1.74Å | 1.73Å | |
| CL3 | CZ2 | sing | 1.74Å | 1.78Å | |
| CB | CG | sing | 1.51Å | 1.52Å | |
| CB | CB3 | sing | 1.53Å | 1.55Å | |
| CG | CD1 | doub | 1.38Å | 1.42Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CZ | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| CB2 | CG2 | sing | 1.51Å | 1.51Å | |
| CB3 | CG4 | sing | 1.51Å | 1.50Å | |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| ND1 | CE5 | doub | 1.31Å | 1.38Å | Aromatic |
| ND1 | CG4 | sing | 1.34Å | 1.36Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.37Å | Aromatic |
| CD3 | CE3 | doub | 1.38Å | 1.39Å | Aromatic |
| CD3 | CG2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD4 | CE4 | sing | 1.38Å | 1.38Å | Aromatic |
| CD4 | CG2 | doub | 1.38Å | 1.37Å | Aromatic |
| CD5 | NE2 | sing | 1.37Å | 1.36Å | Aromatic |
| CD5 | CG4 | doub | 1.35Å | 1.36Å | Aromatic |
| NE2 | CE5 | sing | 1.35Å | 1.37Å | Aromatic |
| CE3 | CZ2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE4 | CZ2 | doub | 1.38Å | 1.39Å | Aromatic |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB2 | HB2 | sing | 1.09Å | 1.10Å | |
| CB2 | HB2A | sing | 1.09Å | 1.10Å | |
| CB3 | HB3 | sing | 1.09Å | 1.10Å | |
| CB3 | HB3A | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CD3 | HD3 | sing | 1.08Å | 1.08Å | |
| CD4 | HD4 | sing | 1.08Å | 1.08Å | |
| CD5 | HD5 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| NE2 | HNE2 | sing | 0.97Å | 1.00Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CE4 | HE4 | sing | 1.08Å | 1.08Å | |
| CE5 | HE5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | O | CB2 | 127.3° | 114.0° |
| O | CB | CG | 120.9° | 109.5° |
| O | CB | CB3 | 113.8° | 109.5° |
| O | CB | HB | 97.4° | 109.4° |
| O | CB2 | CG2 | 102.9° | 109.5° |
| O | CB2 | HB2 | 111.8° | 109.5° |
| O | CB2 | HB2A | 111.7° | 109.4° |
| CL1 | CD1 | CG | 126.3° | 120.0° |
| CL1 | CD1 | CE1 | 115.9° | 120.0° |
| CL2 | CZ | CE1 | 121.4° | 120.0° |
| CL2 | CZ | CE2 | 115.8° | 120.0° |
| CL3 | CZ2 | CE3 | 122.6° | 120.0° |
| CL3 | CZ2 | CE4 | 116.0° | 120.0° |
| CG | CB | CB3 | 111.8° | 109.5° |
| CB | CG | CD1 | 130.9° | 120.0° |
| CB | CG | CD2 | 109.5° | 120.0° |
| CG | CB | HB | 100.2° | 109.5° |
| CB | CB3 | CG4 | 110.3° | 109.4° |
| CB3 | CB | HB | 110.3° | 109.5° |
| CB | CB3 | HB3 | 109.2° | 109.5° |
| CB | CB3 | HB3A | 109.2° | 109.5° |
| CD1 | CG | CD2 | 119.5° | 120.0° |
| CG | CD1 | CE1 | 117.7° | 120.0° |
| CG | CD2 | CE2 | 123.2° | 120.0° |
| CG | CD2 | HD2 | 118.4° | 120.0° |
| CE1 | CZ | CE2 | 122.8° | 120.0° |
| CZ | CE1 | CD1 | 119.7° | 120.0° |
| CZ | CE1 | HE1 | 120.1° | 120.0° |
| CZ | CE2 | CD2 | 116.9° | 120.0° |
| CZ | CE2 | HE2 | 121.6° | 120.0° |
| CB2 | CG2 | CD3 | 122.1° | 120.0° |
| CB2 | CG2 | CD4 | 118.1° | 120.0° |
| CG2 | CB2 | HB2 | 111.7° | 109.5° |
| CG2 | CB2 | HB2A | 111.7° | 109.5° |
| CB3 | CG4 | ND1 | 133.9° | 126.0° |
| CB3 | CG4 | CD5 | 114.8° | 126.0° |
| CG4 | CB3 | HB3 | 109.2° | 109.4° |
| CG4 | CB3 | HB3A | 109.2° | 109.5° |
| CD1 | CE1 | HE1 | 120.1° | 120.0° |
| CE5 | ND1 | CG4 | 105.1° | 109.2° |
| ND1 | CE5 | NE2 | 109.2° | 108.7° |
| ND1 | CE5 | HE5 | 125.4° | 125.6° |
| ND1 | CG4 | CD5 | 111.3° | 108.0° |
| CE2 | CD2 | HD2 | 118.4° | 119.9° |
| CD2 | CE2 | HE2 | 121.6° | 120.0° |
| CE3 | CD3 | CG2 | 121.5° | 120.0° |
| CD3 | CE3 | CZ2 | 117.4° | 120.0° |
| CE3 | CD3 | HD3 | 119.2° | 120.0° |
| CD3 | CE3 | HE3 | 121.3° | 120.0° |
| CD3 | CG2 | CD4 | 119.8° | 120.0° |
| CG2 | CD3 | HD3 | 119.2° | 120.0° |
| CE4 | CD4 | CG2 | 119.7° | 120.0° |
| CD4 | CE4 | CZ2 | 120.2° | 120.0° |
| CE4 | CD4 | HD4 | 120.1° | 120.0° |
| CD4 | CE4 | HE4 | 119.9° | 119.9° |
| CG2 | CD4 | HD4 | 120.2° | 120.0° |
| NE2 | CD5 | CG4 | 106.7° | 106.8° |
| CD5 | NE2 | CE5 | 107.7° | 107.3° |
| NE2 | CD5 | HD5 | 126.7° | 126.7° |
| CD5 | NE2 | HNE2 | 126.1° | 126.4° |
| CG4 | CD5 | HD5 | 126.7° | 126.6° |
| CE5 | NE2 | HNE2 | 126.2° | 126.4° |
| NE2 | CE5 | HE5 | 125.4° | 125.7° |
| CE3 | CZ2 | CE4 | 121.4° | 120.0° |
| CZ2 | CE3 | HE3 | 121.3° | 120.1° |
| CZ2 | CE4 | HE4 | 119.9° | 120.1° |
| HB2 | CB2 | HB2A | 107.1° | 109.5° |
| HB3 | CB3 | HB3A | 109.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | CB | CG | CB3 | 138.1° | 120.0° |
| O | CB | CG | HB | 105.1° | 120.0° |
| O | CB | CB3 | HB | 108.2° | 120.0° |
| O | CB | CG | CD1 | 86.8° | 155.0° |
| O | CB | CG | CD2 | 97.6° | 24.7° |
| CB | O | CB2 | CG2 | 118.4° | 175.1° |
| O | CB | CB3 | CG4 | 30.5° | 57.6° |
| CB | O | CB2 | HB2 | 1.5° | 55.0° |
| CB | O | CB2 | HB2A | 121.5° | 64.9° |
| O | CB | CB3 | HB3 | 150.5° | 62.3° |
| O | CB | CB3 | HB3A | 89.5° | 177.6° |
| CB2 | O | CB | CG | 16.8° | 146.0° |
| CB2 | O | CB | CB3 | 120.5° | 94.0° |
| O | CB2 | CG2 | HB2 | 120.0° | 120.1° |
| O | CB2 | CG2 | HB2A | 120.0° | 119.9° |
| O | CB2 | CG2 | CD3 | 43.0° | 90.1° |
| O | CB2 | CG2 | CD4 | 135.8° | 90.0° |
| CB2 | O | CB | HB | 123.5° | 25.9° |
| O | CB2 | HB2 | HB2A | 122.7° | 120.0° |
| CL1 | CD1 | CG | CB | 4.7° | 0.0° |
| CL1 | CD1 | CG | CE1 | 177.4° | 179.9° |
| CL1 | CD1 | CG | CD2 | 180.0° | 179.7° |
| CL1 | CD1 | CE1 | CZ | 179.2° | 180.0° |
| CL1 | CD1 | CE1 | HE1 | 0.9° | 0.2° |
| CL2 | CZ | CE1 | CE2 | 178.5° | 179.7° |
| CL2 | CZ | CE1 | CD1 | 178.9° | 180.0° |
| CL2 | CZ | CE2 | CD2 | 179.8° | 180.0° |
| CL2 | CZ | CE1 | HE1 | 1.0° | 0.2° |
| CL2 | CZ | CE2 | HE2 | 0.2° | 0.3° |
| CL3 | CZ2 | CE3 | CD3 | 179.7° | 180.0° |
| CL3 | CZ2 | CE4 | CD4 | 179.6° | 180.0° |
| CL3 | CZ2 | CE3 | CE4 | 179.0° | 180.0° |
| CL3 | CZ2 | CE3 | HE3 | 0.3° | 0.0° |
| CL3 | CZ2 | CE4 | HE4 | 0.4° | 0.0° |
| CG | CB | CB3 | HB | 110.6° | 120.0° |
| CB | CG | CD1 | CD2 | 175.2° | 179.7° |
| CG | CB | CB3 | CG4 | 171.8° | 62.4° |
| CB | CG | CD1 | CE1 | 177.9° | 180.0° |
| CB | CG | CD2 | CE2 | 178.1° | 180.0° |
| CG | CB | CB3 | HB3 | 68.2° | 177.6° |
| CG | CB | CB3 | HB3A | 51.8° | 57.6° |
| CB | CG | CD2 | HD2 | 1.9° | 0.0° |
| CB3 | CB | CG | CD1 | 51.4° | 85.0° |
| CB3 | CB | CG | CD2 | 124.2° | 95.3° |
| CB | CB3 | CG4 | HB3 | 120.0° | 120.0° |
| CB | CB3 | CG4 | HB3A | 120.0° | 120.0° |
| CB | CB3 | CG4 | ND1 | 53.9° | 57.9° |
| CB | CB3 | CG4 | CD5 | 124.3° | 122.2° |
| CB | CB3 | HB3 | HB3A | 119.6° | 120.1° |
| CG | CD1 | CE1 | CZ | 1.5° | 0.0° |
| CD1 | CG | CD2 | CE2 | 1.9° | 0.3° |
| CD1 | CG | CB | HB | 168.2° | 35.0° |
| CD1 | CG | CD2 | HD2 | 178.1° | 179.7° |
| CG | CD1 | CE1 | HE1 | 178.5° | 179.8° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.0° |
| CD2 | CG | CD1 | CE1 | 2.6° | 0.3° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CD2 | CG | CB | HB | 7.4° | 144.7° |
| CG | CD2 | CE2 | HE2 | 180.0° | 179.7° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.8° |
| CE1 | CZ | CE2 | CD2 | 1.3° | 0.3° |
| CE1 | CZ | CE2 | HE2 | 178.7° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.5° | 0.3° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.7° |
| CZ | CE2 | CD2 | HD2 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.5° | 179.9° |
| CB2 | CG2 | CD3 | CE3 | 179.5° | 180.0° |
| CB2 | CG2 | CD3 | CD4 | 178.8° | 179.9° |
| CB2 | CG2 | CD4 | CE4 | 179.8° | 180.0° |
| CG2 | CB2 | HB2 | HB2A | 122.7° | 120.0° |
| CB2 | CG2 | CD3 | HD3 | 0.5° | 0.2° |
| CB2 | CG2 | CD4 | HD4 | 0.2° | 0.0° |
| CB3 | CG4 | ND1 | CE5 | 178.9° | 180.0° |
| CB3 | CG4 | ND1 | CD5 | 178.2° | 180.0° |
| CB3 | CG4 | CD5 | NE2 | 178.5° | 180.0° |
| CG4 | CB3 | CB | HB | 77.6° | 177.6° |
| CG4 | CB3 | HB3 | HB3A | 119.7° | 120.0° |
| CB3 | CG4 | CD5 | HD5 | 1.4° | 0.0° |
| ND1 | CE5 | NE2 | CD5 | 1.2° | 0.0° |
| CE5 | ND1 | CG4 | CD5 | 0.7° | 0.0° |
| ND1 | CE5 | NE2 | HE5 | 180.0° | 180.0° |
| ND1 | CE5 | NE2 | HNE2 | 178.8° | 180.0° |
| ND1 | CG4 | CD5 | NE2 | 0.0° | 0.0° |
| CG4 | ND1 | CE5 | NE2 | 1.2° | 0.0° |
| ND1 | CG4 | CB3 | HB3 | 66.1° | 177.8° |
| ND1 | CG4 | CB3 | HB3A | 173.9° | 62.2° |
| ND1 | CG4 | CD5 | HD5 | 180.0° | 180.0° |
| CG4 | ND1 | CE5 | HE5 | 178.8° | 180.0° |
| CE3 | CD3 | CG2 | HD3 | 180.0° | 179.8° |
| CE3 | CD3 | CG2 | CD4 | 0.8° | 0.0° |
| CD3 | CE3 | CZ2 | HE3 | 180.0° | 179.9° |
| CD3 | CE3 | CZ2 | CE4 | 0.8° | 0.0° |
| CD3 | CG2 | CD4 | CE4 | 1.4° | 0.0° |
| CG2 | CD3 | CE3 | CZ2 | 0.5° | 0.0° |
| CD3 | CG2 | CB2 | HB2 | 163.1° | 30.0° |
| CD3 | CG2 | CB2 | HB2A | 77.0° | 150.0° |
| CD3 | CG2 | CD4 | HD4 | 178.6° | 180.0° |
| CG2 | CD3 | CE3 | HE3 | 179.5° | 179.9° |
| CE4 | CD4 | CG2 | HD4 | 180.0° | 180.0° |
| CD4 | CE4 | CZ2 | CE3 | 1.4° | 0.0° |
| CD4 | CE4 | CZ2 | HE4 | 180.0° | 180.0° |
| CG2 | CD4 | CE4 | CZ2 | 1.7° | 0.0° |
| CD4 | CG2 | CB2 | HB2 | 15.7° | 149.9° |
| CD4 | CG2 | CB2 | HB2A | 104.3° | 29.9° |
| CD4 | CG2 | CD3 | HD3 | 179.2° | 179.7° |
| CG2 | CD4 | CE4 | HE4 | 178.3° | 180.0° |
| NE2 | CD5 | CG4 | HD5 | 180.0° | 180.0° |
| CD5 | NE2 | CE5 | HNE2 | 180.0° | 180.0° |
| CD5 | NE2 | CE5 | HE5 | 178.8° | 180.0° |
| CG4 | CD5 | NE2 | CE5 | 0.7° | 0.0° |
| CD5 | CG4 | CB3 | HB3 | 115.8° | 2.2° |
| CD5 | CG4 | CB3 | HB3A | 4.3° | 117.8° |
| CG4 | CD5 | NE2 | HNE2 | 179.3° | 180.0° |
| CE5 | NE2 | CD5 | HD5 | 179.3° | 180.0° |
| CZ2 | CE3 | CD3 | HD3 | 179.6° | 179.8° |
| CE3 | CZ2 | CE4 | HE4 | 178.6° | 180.0° |
| CZ2 | CE4 | CD4 | HD4 | 178.3° | 180.0° |
| CE4 | CZ2 | CE3 | HE3 | 179.2° | 180.0° |
| HB | CB | CB3 | HB3 | 42.3° | 57.6° |
| HB | CB | CB3 | HB3A | 162.4° | 62.4° |
| HD2 | CD2 | CE2 | HE2 | 0.0° | 0.3° |
| HD3 | CD3 | CE3 | HE3 | 0.4° | 0.3° |
| HD4 | CD4 | CE4 | HE4 | 1.7° | 0.0° |
| HD5 | CD5 | NE2 | HNE2 | 0.7° | 0.0° |
| HNE2 | NE2 | CE5 | HE5 | 1.2° | 0.0° |
