3KN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SAA | CAB | sing | 1.76Å | 1.78Å | Aromatic |
| SAA | CAE | sing | 1.77Å | 1.74Å | Aromatic |
| CAJ | NAK | doub | 1.32Å | 1.42Å | Aromatic |
| CAJ | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| NAK | CAL | sing | 1.32Å | 1.42Å | Aromatic |
| NAF | CAB | sing | 1.39Å | 1.34Å | |
| CAB | NAC | doub | 1.30Å | 1.34Å | Aromatic |
| CAE | CAG | sing | 1.48Å | 1.34Å | |
| CAE | NAD | doub | 1.30Å | 1.34Å | Aromatic |
| CAG | CAI | doub | 1.41Å | 1.40Å | Aromatic |
| CAL | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| NAC | NAD | sing | 1.26Å | 1.38Å | Aromatic |
| CAI | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | NAM | sing | 1.39Å | 1.31Å | |
| NAM | H1 | sing | 0.97Å | 1.00Å | |
| NAM | H2 | sing | 0.97Å | 1.00Å | |
| CAH | H3 | sing | 1.08Å | 1.08Å | |
| CAL | H4 | sing | 1.08Å | 1.08Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| NAF | H6 | sing | 0.97Å | 1.00Å | |
| NAF | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | SAA | CAE | 92.0° | 88.9° |
| SAA | CAB | NAF | 127.0° | 126.0° |
| SAA | CAB | NAC | 108.7° | 107.8° |
| SAA | CAE | CAG | 128.0° | 126.1° |
| SAA | CAE | NAD | 108.7° | 107.8° |
| NAK | CAJ | CAG | 117.7° | 120.6° |
| CAJ | NAK | CAL | 122.8° | 122.1° |
| NAK | CAJ | H5 | 121.1° | 119.6° |
| CAJ | CAG | CAE | 121.2° | 120.6° |
| CAJ | CAG | CAI | 118.6° | 118.8° |
| CAG | CAJ | H5 | 121.1° | 119.7° |
| NAK | CAL | CAH | 118.8° | 121.1° |
| NAK | CAL | H4 | 120.6° | 119.4° |
| NAF | CAB | NAC | 124.3° | 126.1° |
| CAB | NAF | H6 | 109.5° | 120.1° |
| CAB | NAF | H7 | 109.5° | 120.0° |
| CAB | NAC | NAD | 114.3° | 117.7° |
| CAG | CAE | NAD | 123.2° | 126.1° |
| CAE | CAG | CAI | 120.0° | 120.6° |
| CAE | NAD | NAC | 116.3° | 117.7° |
| CAG | CAI | CAH | 124.3° | 118.1° |
| CAG | CAI | NAM | 115.6° | 120.9° |
| CAL | CAH | CAI | 117.7° | 119.2° |
| CAL | CAH | H3 | 121.1° | 120.4° |
| CAH | CAL | H4 | 120.6° | 119.4° |
| CAH | CAI | NAM | 120.1° | 120.9° |
| CAI | CAH | H3 | 121.2° | 120.4° |
| CAI | NAM | H1 | 109.5° | 120.0° |
| CAI | NAM | H2 | 109.5° | 120.0° |
| H1 | NAM | H2 | 109.5° | 120.0° |
| H6 | NAF | H7 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAA | CAB | NAF | NAC | 179.7° | 179.8° |
| CAB | SAA | CAE | CAG | 176.6° | 180.0° |
| CAB | SAA | CAE | NAD | 0.4° | 0.2° |
| SAA | CAB | NAC | NAD | 0.3° | 0.1° |
| SAA | CAB | NAF | H6 | 0.0° | 0.1° |
| SAA | CAB | NAF | H7 | 120.0° | 180.0° |
| SAA | CAE | CAG | CAJ | 1.5° | 0.3° |
| CAE | SAA | CAB | NAF | 179.7° | 180.0° |
| CAE | SAA | CAB | NAC | 0.0° | 0.2° |
| SAA | CAE | CAG | NAD | 175.7° | 179.7° |
| SAA | CAE | CAG | CAI | 176.9° | 179.7° |
| SAA | CAE | NAD | NAC | 0.6° | 0.2° |
| NAK | CAJ | CAG | H5 | 180.0° | 179.7° |
| NAK | CAJ | CAG | CAE | 177.2° | 180.0° |
| NAK | CAJ | CAG | CAI | 1.7° | 0.6° |
| CAJ | NAK | CAL | CAH | 0.1° | 0.1° |
| CAJ | NAK | CAL | H4 | 179.9° | 180.0° |
| CAG | CAJ | NAK | CAL | 0.5° | 0.2° |
| CAJ | CAG | CAE | CAI | 175.4° | 179.4° |
| CAJ | CAG | CAE | NAD | 174.2° | 180.0° |
| CAJ | CAG | CAI | CAH | 2.6° | 0.5° |
| CAJ | CAG | CAI | NAM | 178.7° | 179.7° |
| NAK | CAL | CAH | H4 | 180.0° | 179.9° |
| NAK | CAL | CAH | CAI | 0.6° | 0.1° |
| NAK | CAL | CAH | H3 | 179.4° | 179.9° |
| CAL | NAK | CAJ | H5 | 179.5° | 180.0° |
| NAF | CAB | NAC | NAD | 179.9° | 179.9° |
| CAB | NAF | H6 | H7 | 120.0° | 179.9° |
| CAB | NAC | NAD | CAE | 0.6° | 0.1° |
| NAC | CAB | NAF | H6 | 179.7° | 179.9° |
| NAC | CAB | NAF | H7 | 59.7° | 0.2° |
| CAG | CAE | NAD | NAC | 177.1° | 180.0° |
| CAE | CAG | CAI | CAH | 178.1° | 180.0° |
| CAE | CAG | CAI | NAM | 3.2° | 0.2° |
| CAE | CAG | CAJ | H5 | 2.8° | 0.3° |
| NAD | CAE | CAG | CAI | 1.2° | 0.6° |
| CAG | CAI | CAH | CAL | 1.9° | 0.2° |
| CAG | CAI | CAH | NAM | 178.7° | 179.8° |
| CAG | CAI | NAM | H1 | 180.0° | 179.7° |
| CAG | CAI | NAM | H2 | 60.0° | 0.5° |
| CAG | CAI | CAH | H3 | 178.1° | 179.8° |
| CAI | CAG | CAJ | H5 | 178.2° | 179.7° |
| CAL | CAH | CAI | H3 | 180.0° | 180.0° |
| CAL | CAH | CAI | NAM | 179.4° | 180.0° |
| CAH | CAI | NAM | H1 | 1.2° | 0.1° |
| CAH | CAI | NAM | H2 | 121.3° | 179.7° |
| CAI | CAH | CAL | H4 | 179.5° | 180.0° |
| CAI | NAM | H1 | H2 | 120.0° | 179.8° |
| NAM | CAI | CAH | H3 | 0.6° | 0.0° |
| H3 | CAH | CAL | H4 | 0.5° | 0.0° |
