1ES
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | NAM | sing | 1.47Å | 1.39Å | |
| NAM | CAG | sing | 1.37Å | 1.37Å | Aromatic |
| NAM | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAJ | doub | 1.34Å | 1.41Å | Aromatic |
| CAF | CAL | doub | 1.39Å | 1.44Å | Aromatic |
| CAF | CAD | sing | 1.38Å | 1.37Å | Aromatic |
| CAL | CAK | sing | 1.41Å | 1.39Å | Aromatic |
| CAD | CAC | doub | 1.39Å | 1.42Å | Aromatic |
| CAJ | CAK | sing | 1.47Å | 1.48Å | Aromatic |
| CAJ | CAI | sing | 1.51Å | 1.51Å | |
| CAK | CAE | doub | 1.40Å | 1.41Å | Aromatic |
| CAH | CAI | sing | 1.53Å | 1.52Å | |
| CAH | NAB | sing | 1.47Å | 1.45Å | |
| CAC | CAE | sing | 1.37Å | 1.41Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAD | H6 | sing | 1.08Å | 1.08Å | |
| CAC | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| NAB | H13 | sing | 1.01Å | 1.00Å | |
| NAB | H14 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | NAM | CAG | 125.2° | 125.0° |
| CAA | NAM | CAL | 124.9° | 125.1° |
| NAM | CAA | H1 | 109.5° | 109.4° |
| NAM | CAA | H2 | 109.4° | 109.5° |
| NAM | CAA | H3 | 109.5° | 109.6° |
| CAG | NAM | CAL | 110.0° | 109.9° |
| NAM | CAG | CAJ | 108.1° | 109.9° |
| NAM | CAG | H4 | 126.0° | 125.0° |
| NAM | CAL | CAF | 131.5° | 133.5° |
| NAM | CAL | CAK | 109.1° | 107.1° |
| CAG | CAJ | CAK | 106.7° | 107.0° |
| CAG | CAJ | CAI | 127.7° | 126.5° |
| CAJ | CAG | H4 | 126.0° | 125.0° |
| CAL | CAF | CAD | 119.1° | 119.8° |
| CAF | CAL | CAK | 119.3° | 119.3° |
| CAL | CAF | H5 | 120.5° | 120.1° |
| CAF | CAD | CAC | 122.6° | 120.7° |
| CAD | CAF | H5 | 120.5° | 120.1° |
| CAF | CAD | H6 | 118.7° | 119.7° |
| CAL | CAK | CAJ | 106.2° | 106.0° |
| CAL | CAK | CAE | 120.7° | 119.9° |
| CAD | CAC | CAE | 118.0° | 120.5° |
| CAC | CAD | H6 | 118.7° | 119.6° |
| CAD | CAC | H7 | 121.0° | 119.8° |
| CAK | CAJ | CAI | 125.7° | 126.5° |
| CAJ | CAK | CAE | 133.2° | 134.0° |
| CAJ | CAI | CAH | 119.1° | 109.5° |
| CAJ | CAI | H9 | 107.0° | 109.5° |
| CAJ | CAI | H10 | 107.0° | 109.5° |
| CAK | CAE | CAC | 120.4° | 119.7° |
| CAK | CAE | H8 | 119.8° | 120.2° |
| CAI | CAH | NAB | 114.2° | 109.5° |
| CAH | CAI | H9 | 107.0° | 109.5° |
| CAH | CAI | H10 | 107.0° | 109.5° |
| CAI | CAH | H11 | 108.3° | 109.5° |
| CAI | CAH | H12 | 108.3° | 109.5° |
| NAB | CAH | H11 | 108.3° | 109.5° |
| NAB | CAH | H12 | 108.3° | 109.5° |
| CAH | NAB | H13 | 109.5° | 111.0° |
| CAH | NAB | H14 | 109.5° | 111.0° |
| CAE | CAC | H7 | 121.0° | 119.7° |
| CAC | CAE | H8 | 119.8° | 120.1° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H9 | CAI | H10 | 109.5° | 109.5° |
| H11 | CAH | H12 | 109.5° | 109.5° |
| H13 | NAB | H14 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | NAM | CAG | CAL | 179.8° | 179.7° |
| CAA | NAM | CAG | CAJ | 179.9° | 180.0° |
| CAA | NAM | CAL | CAF | 0.1° | 0.3° |
| CAA | NAM | CAL | CAK | 179.7° | 179.9° |
| NAM | CAA | H1 | H2 | 120.0° | 119.9° |
| NAM | CAA | H1 | H3 | 120.0° | 120.1° |
| NAM | CAA | H2 | H3 | 120.0° | 120.1° |
| CAA | NAM | CAG | H4 | 0.2° | 0.3° |
| NAM | CAG | CAJ | H4 | 180.0° | 179.8° |
| CAG | NAM | CAL | CAF | 179.7° | 180.0° |
| CAG | NAM | CAL | CAK | 0.1° | 0.5° |
| NAM | CAG | CAJ | CAK | 0.2° | 0.0° |
| NAM | CAG | CAJ | CAI | 179.7° | 180.0° |
| CAG | NAM | CAA | H1 | 180.0° | 90.1° |
| CAG | NAM | CAA | H2 | 60.0° | 150.0° |
| CAG | NAM | CAA | H3 | 60.0° | 30.0° |
| CAL | NAM | CAG | CAJ | 0.1° | 0.3° |
| NAM | CAL | CAF | CAK | 179.6° | 179.5° |
| NAM | CAL | CAF | CAD | 179.0° | 180.0° |
| NAM | CAL | CAK | CAJ | 0.2° | 0.5° |
| NAM | CAL | CAK | CAE | 179.9° | 179.8° |
| CAL | NAM | CAA | H1 | 0.3° | 90.3° |
| CAL | NAM | CAA | H2 | 119.7° | 29.6° |
| CAL | NAM | CAA | H3 | 120.3° | 149.7° |
| CAL | NAM | CAG | H4 | 179.9° | 180.0° |
| NAM | CAL | CAF | H5 | 1.0° | 0.0° |
| CAG | CAJ | CAK | CAL | 0.2° | 0.3° |
| CAG | CAJ | CAK | CAI | 179.5° | 180.0° |
| CAG | CAJ | CAK | CAE | 179.8° | 180.0° |
| CAG | CAJ | CAI | CAH | 95.8° | 95.0° |
| CAG | CAJ | CAI | H9 | 25.6° | 25.0° |
| CAG | CAJ | CAI | H10 | 142.9° | 145.0° |
| CAL | CAF | CAD | H5 | 180.0° | 180.0° |
| CAL | CAF | CAD | CAC | 1.2° | 0.0° |
| CAF | CAL | CAK | CAJ | 179.9° | 179.9° |
| CAF | CAL | CAK | CAE | 0.2° | 0.1° |
| CAL | CAF | CAD | H6 | 178.8° | 180.0° |
| CAD | CAF | CAL | CAK | 0.6° | 0.5° |
| CAF | CAD | CAC | H6 | 180.0° | 180.0° |
| CAF | CAD | CAC | CAE | 1.0° | 0.9° |
| CAF | CAD | CAC | H7 | 179.0° | 180.0° |
| CAL | CAK | CAJ | CAE | 179.9° | 179.8° |
| CAL | CAK | CAJ | CAI | 179.7° | 179.7° |
| CAL | CAK | CAE | CAC | 0.4° | 0.7° |
| CAK | CAL | CAF | H5 | 179.4° | 179.5° |
| CAL | CAK | CAE | H8 | 179.6° | 179.7° |
| CAD | CAC | CAE | CAK | 0.2° | 1.3° |
| CAD | CAC | CAE | H7 | 180.0° | 179.1° |
| CAC | CAD | CAF | H5 | 178.8° | 180.0° |
| CAD | CAC | CAE | H8 | 179.8° | 179.8° |
| CAK | CAJ | CAI | CAH | 84.9° | 85.0° |
| CAJ | CAK | CAE | CAC | 179.7° | 179.0° |
| CAK | CAJ | CAG | H4 | 179.8° | 179.7° |
| CAJ | CAK | CAE | H8 | 0.3° | 0.1° |
| CAK | CAJ | CAI | H9 | 153.8° | 155.0° |
| CAK | CAJ | CAI | H10 | 36.5° | 35.0° |
| CAI | CAJ | CAK | CAE | 0.3° | 0.0° |
| CAJ | CAI | CAH | H9 | 121.4° | 120.0° |
| CAJ | CAI | CAH | H10 | 121.4° | 120.0° |
| CAJ | CAI | CAH | NAB | 140.9° | 180.0° |
| CAI | CAJ | CAG | H4 | 0.3° | 0.3° |
| CAJ | CAI | H9 | H10 | 115.7° | 120.0° |
| CAJ | CAI | CAH | H11 | 20.3° | 60.0° |
| CAJ | CAI | CAH | H12 | 98.3° | 60.0° |
| CAK | CAE | CAC | H8 | 180.0° | 178.9° |
| CAK | CAE | CAC | H7 | 179.8° | 179.6° |
| CAI | CAH | NAB | H11 | 120.7° | 120.0° |
| CAI | CAH | NAB | H12 | 120.7° | 120.0° |
| CAH | CAI | H9 | H10 | 115.6° | 120.0° |
| CAI | CAH | H11 | H12 | 117.8° | 120.0° |
| CAI | CAH | NAB | H13 | 180.0° | 180.0° |
| CAI | CAH | NAB | H14 | 60.0° | 56.0° |
| NAB | CAH | CAI | H9 | 97.7° | 60.0° |
| NAB | CAH | CAI | H10 | 19.6° | 60.0° |
| NAB | CAH | H11 | H12 | 117.9° | 120.0° |
| CAH | NAB | H13 | H14 | 120.0° | 124.0° |
| CAE | CAC | CAD | H6 | 179.0° | 179.1° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H5 | CAF | CAD | H6 | 1.2° | 0.0° |
| H6 | CAD | CAC | H7 | 0.9° | 0.0° |
| H7 | CAC | CAE | H8 | 0.2° | 0.7° |
| H9 | CAI | CAH | H11 | 141.6° | 180.0° |
| H9 | CAI | CAH | H12 | 23.0° | 60.0° |
| H10 | CAI | CAH | H11 | 101.1° | 60.0° |
| H10 | CAI | CAH | H12 | 140.3° | 180.0° |
| H11 | CAH | NAB | H13 | 59.3° | 60.0° |
| H11 | CAH | NAB | H14 | 179.3° | 176.0° |
| H12 | CAH | NAB | H13 | 59.3° | 60.0° |
| H12 | CAH | NAB | H14 | 60.7° | 64.0° |
