1KN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAH | CAA | sing | 1.43Å | 1.44Å | |
| OAG | CAB | sing | 1.43Å | 1.45Å | |
| CAA | CAB | sing | 1.55Å | 1.57Å | |
| CAA | CAE | sing | 1.55Å | 1.59Å | |
| CAB | CAC | sing | 1.54Å | 1.51Å | |
| CAC | NAD | sing | 1.47Å | 1.54Å | |
| CAC | CAI | sing | 1.51Å | 1.42Å | |
| CAF | CAE | sing | 1.53Å | 1.51Å | |
| NAD | CAE | sing | 1.48Å | 1.47Å | |
| CAJ | CAI | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAK | sing | 1.38Å | 1.37Å | Aromatic |
| CAI | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAL | doub | 1.39Å | 1.38Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | OAO | sing | 1.36Å | 1.38Å | |
| OAO | CAP | sing | 1.43Å | 1.45Å | |
| CAP | H1 | sing | 1.09Å | 1.10Å | |
| CAP | H2 | sing | 1.09Å | 1.10Å | |
| CAP | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.08Å | 1.08Å | |
| CAJ | H7 | sing | 1.08Å | 1.08Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| NAD | H9 | sing | 1.01Å | 1.00Å | |
| CAE | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAF | H13 | sing | 1.09Å | 1.10Å | |
| CAF | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| OAH | H16 | sing | 0.97Å | 0.95Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| OAG | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAH | CAA | CAB | 117.3° | 111.0° |
| OAH | CAA | CAE | 111.0° | 111.0° |
| OAH | CAA | H15 | 112.5° | 110.9° |
| CAA | OAH | H16 | 109.5° | 114.0° |
| OAG | CAB | CAA | 116.6° | 110.7° |
| OAG | CAB | CAC | 113.6° | 110.7° |
| OAG | CAB | H17 | 109.1° | 110.7° |
| CAB | OAG | H18 | 109.5° | 114.0° |
| CAB | CAA | CAE | 93.8° | 101.6° |
| CAA | CAB | CAC | 101.3° | 103.0° |
| CAB | CAA | H15 | 110.5° | 111.0° |
| CAA | CAB | H17 | 107.6° | 110.7° |
| CAA | CAE | CAF | 113.0° | 110.5° |
| CAA | CAE | NAD | 102.7° | 104.8° |
| CAA | CAE | H11 | 107.7° | 110.4° |
| CAE | CAA | H15 | 110.2° | 111.0° |
| CAB | CAC | NAD | 105.6° | 107.2° |
| CAB | CAC | CAI | 115.2° | 109.9° |
| CAB | CAC | H8 | 108.7° | 110.0° |
| CAC | CAB | H17 | 108.2° | 110.7° |
| NAD | CAC | CAI | 108.9° | 109.9° |
| CAC | NAD | CAE | 104.3° | 108.6° |
| NAD | CAC | H8 | 108.4° | 109.9° |
| CAC | NAD | H9 | 110.8° | 111.0° |
| CAC | CAI | CAJ | 119.5° | 119.9° |
| CAC | CAI | CAN | 122.0° | 119.9° |
| CAI | CAC | H8 | 109.9° | 109.9° |
| CAF | CAE | NAD | 115.4° | 110.4° |
| CAF | CAE | H11 | 108.6° | 110.3° |
| CAE | CAF | H12 | 109.5° | 109.5° |
| CAE | CAF | H13 | 109.5° | 109.4° |
| CAE | CAF | H14 | 109.5° | 109.5° |
| CAE | NAD | H9 | 110.8° | 111.0° |
| NAD | CAE | H11 | 109.2° | 110.4° |
| CAI | CAJ | CAK | 120.6° | 120.0° |
| CAJ | CAI | CAN | 118.5° | 120.2° |
| CAI | CAJ | H7 | 119.7° | 120.0° |
| CAJ | CAK | CAL | 121.6° | 120.0° |
| CAJ | CAK | H6 | 119.2° | 120.0° |
| CAK | CAJ | H7 | 119.7° | 120.0° |
| CAI | CAN | CAM | 120.6° | 120.0° |
| CAI | CAN | H5 | 119.7° | 120.0° |
| CAK | CAL | CAM | 118.6° | 119.9° |
| CAK | CAL | OAO | 117.7° | 120.1° |
| CAL | CAK | H6 | 119.2° | 120.1° |
| CAN | CAM | CAL | 120.0° | 120.0° |
| CAN | CAM | H4 | 120.0° | 120.0° |
| CAM | CAN | H5 | 119.7° | 120.0° |
| CAM | CAL | OAO | 123.7° | 120.1° |
| CAL | CAM | H4 | 120.0° | 120.0° |
| CAL | OAO | CAP | 120.3° | 117.0° |
| OAO | CAP | H1 | 109.5° | 109.4° |
| OAO | CAP | H2 | 109.5° | 109.4° |
| OAO | CAP | H3 | 109.5° | 109.5° |
| H1 | CAP | H2 | 109.5° | 109.5° |
| H1 | CAP | H3 | 109.4° | 109.5° |
| H2 | CAP | H3 | 109.5° | 109.5° |
| H12 | CAF | H13 | 109.5° | 109.5° |
| H12 | CAF | H14 | 109.5° | 109.5° |
| H13 | CAF | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAH | CAA | CAB | OAG | 59.1° | 35.9° |
| OAH | CAA | CAB | CAE | 116.0° | 118.1° |
| OAH | CAA | CAB | H15 | 130.8° | 123.8° |
| OAH | CAA | CAE | H15 | 125.2° | 123.8° |
| OAH | CAA | CAB | CAC | 64.8° | 82.5° |
| OAH | CAA | CAE | CAF | 57.0° | 37.9° |
| OAH | CAA | CAE | NAD | 68.0° | 81.0° |
| OAH | CAA | CAE | H11 | 176.9° | 160.1° |
| OAH | CAA | CAB | H17 | 178.1° | 159.1° |
| OAG | CAB | CAA | CAC | 123.9° | 118.4° |
| OAG | CAB | CAA | H17 | 122.8° | 123.2° |
| OAG | CAB | CAA | CAE | 175.1° | 154.1° |
| OAG | CAB | CAC | H17 | 121.3° | 123.2° |
| OAG | CAB | CAC | NAD | 159.2° | 140.7° |
| OAG | CAB | CAC | CAI | 80.6° | 99.9° |
| OAG | CAB | CAC | H8 | 43.1° | 21.2° |
| OAG | CAB | CAA | H15 | 71.7° | 87.9° |
| CAB | CAA | CAE | H15 | 113.5° | 118.1° |
| CAA | CAB | CAC | H17 | 112.9° | 118.4° |
| CAA | CAB | CAC | NAD | 33.4° | 22.3° |
| CAA | CAB | CAC | CAI | 153.5° | 141.7° |
| CAB | CAA | CAE | CAF | 178.2° | 156.0° |
| CAB | CAA | CAE | NAD | 53.2° | 37.1° |
| CAA | CAB | CAC | H8 | 82.7° | 97.2° |
| CAB | CAA | CAE | H11 | 61.9° | 81.8° |
| CAB | CAA | OAH | H16 | 180.0° | 61.4° |
| CAA | CAB | OAG | H18 | 180.0° | 61.5° |
| CAE | CAA | CAB | CAC | 51.3° | 35.7° |
| CAA | CAE | NAD | CAC | 34.6° | 24.1° |
| CAA | CAE | CAF | NAD | 117.7° | 115.4° |
| CAA | CAE | CAF | H11 | 119.4° | 122.3° |
| CAA | CAE | NAD | H11 | 114.0° | 118.9° |
| CAA | CAE | NAD | H9 | 153.8° | 146.4° |
| CAA | CAE | CAF | H12 | 180.0° | 56.9° |
| CAA | CAE | CAF | H13 | 60.0° | 63.1° |
| CAA | CAE | CAF | H14 | 60.0° | 176.9° |
| CAE | CAA | OAH | H16 | 73.8° | 173.7° |
| CAE | CAA | CAB | H17 | 62.1° | 82.8° |
| CAB | CAC | NAD | CAI | 124.2° | 119.4° |
| CAB | CAC | NAD | H8 | 116.3° | 119.5° |
| CAB | CAC | CAI | H8 | 123.1° | 121.2° |
| CAB | CAC | NAD | CAE | 1.0° | 1.0° |
| CAB | CAC | CAI | CAJ | 125.5° | 100.8° |
| CAB | CAC | CAI | CAN | 57.8° | 80.0° |
| CAB | CAC | NAD | H9 | 120.2° | 123.3° |
| CAC | CAB | CAA | H15 | 164.5° | 153.8° |
| CAC | CAB | OAG | H18 | 62.7° | 175.1° |
| NAD | CAC | CAI | H8 | 118.5° | 121.0° |
| CAC | NAD | CAE | CAF | 158.0° | 143.0° |
| CAC | NAD | CAE | H9 | 119.2° | 122.3° |
| NAD | CAC | CAI | CAJ | 116.2° | 141.5° |
| NAD | CAC | CAI | CAN | 60.6° | 37.8° |
| CAC | NAD | CAE | H11 | 79.4° | 94.8° |
| NAD | CAC | CAB | H17 | 79.5° | 96.1° |
| CAI | CAC | NAD | CAE | 123.2° | 118.4° |
| CAC | CAI | CAJ | CAN | 176.9° | 179.2° |
| CAC | CAI | CAJ | CAK | 177.9° | 180.0° |
| CAC | CAI | CAN | CAM | 177.7° | 179.8° |
| CAC | CAI | CAN | H5 | 2.3° | 0.3° |
| CAC | CAI | CAJ | H7 | 2.1° | 0.8° |
| CAI | CAC | NAD | H9 | 4.0° | 3.9° |
| CAI | CAC | CAB | H17 | 40.6° | 23.3° |
| CAF | CAE | NAD | H11 | 122.6° | 122.2° |
| CAF | CAE | NAD | H9 | 82.9° | 94.7° |
| CAE | CAF | H12 | H13 | 120.0° | 120.0° |
| CAE | CAF | H12 | H14 | 120.0° | 120.0° |
| CAE | CAF | H13 | H14 | 120.0° | 120.0° |
| CAF | CAE | CAA | H15 | 68.3° | 86.0° |
| CAE | NAD | CAC | H8 | 117.3° | 120.5° |
| NAD | CAE | CAF | H12 | 62.3° | 58.5° |
| NAD | CAE | CAF | H13 | 57.7° | 178.5° |
| NAD | CAE | CAF | H14 | 177.7° | 61.5° |
| NAD | CAE | CAA | H15 | 166.8° | 155.2° |
| CAI | CAJ | CAK | H7 | 180.0° | 179.2° |
| CAI | CAJ | CAK | CAL | 1.8° | 0.5° |
| CAJ | CAI | CAN | CAM | 0.9° | 0.6° |
| CAJ | CAI | CAN | H5 | 179.1° | 179.5° |
| CAI | CAJ | CAK | H6 | 178.2° | 179.5° |
| CAJ | CAI | CAC | H8 | 2.4° | 20.4° |
| CAK | CAJ | CAI | CAN | 1.0° | 0.8° |
| CAJ | CAK | CAL | H6 | 180.0° | 180.0° |
| CAJ | CAK | CAL | CAM | 2.3° | 0.0° |
| CAJ | CAK | CAL | OAO | 179.6° | 179.7° |
| CAI | CAN | CAM | H5 | 180.0° | 179.9° |
| CAI | CAN | CAM | CAL | 1.5° | 0.1° |
| CAI | CAN | CAM | H4 | 178.5° | 180.0° |
| CAN | CAI | CAJ | H7 | 178.9° | 180.0° |
| CAN | CAI | CAC | H8 | 179.1° | 158.8° |
| CAK | CAL | CAM | CAN | 2.2° | 0.2° |
| CAK | CAL | CAM | OAO | 177.1° | 179.7° |
| CAK | CAL | OAO | CAP | 166.1° | 0.3° |
| CAK | CAL | CAM | H4 | 177.8° | 179.7° |
| CAL | CAK | CAJ | H7 | 178.2° | 179.7° |
| CAN | CAM | CAL | H4 | 180.0° | 180.0° |
| CAN | CAM | CAL | OAO | 179.2° | 179.9° |
| CAM | CAL | OAO | CAP | 16.8° | 180.0° |
| CAL | CAM | CAN | H5 | 178.5° | 180.0° |
| CAM | CAL | CAK | H6 | 177.7° | 180.0° |
| CAL | OAO | CAP | H1 | 180.0° | 60.0° |
| CAL | OAO | CAP | H2 | 60.0° | 180.0° |
| CAL | OAO | CAP | H3 | 60.0° | 60.0° |
| OAO | CAL | CAM | H4 | 0.7° | 0.0° |
| OAO | CAL | CAK | H6 | 0.4° | 0.3° |
| OAO | CAP | H1 | H2 | 120.0° | 119.9° |
| OAO | CAP | H1 | H3 | 120.0° | 120.0° |
| OAO | CAP | H2 | H3 | 120.0° | 120.0° |
| H1 | CAP | H2 | H3 | 119.9° | 120.0° |
| H4 | CAM | CAN | H5 | 1.5° | 0.0° |
| H6 | CAK | CAJ | H7 | 1.8° | 0.3° |
| H8 | CAC | NAD | H9 | 123.5° | 117.2° |
| H8 | CAC | CAB | H17 | 164.4° | 144.4° |
| H9 | NAD | CAE | H11 | 39.8° | 27.5° |
| H11 | CAE | CAF | H12 | 60.7° | 179.2° |
| H11 | CAE | CAF | H13 | 179.4° | 59.2° |
| H11 | CAE | CAF | H14 | 59.4° | 60.8° |
| H11 | CAE | CAA | H15 | 51.6° | 36.3° |
| H12 | CAF | H13 | H14 | 120.0° | 120.0° |
| H15 | CAA | OAH | H16 | 50.1° | 62.4° |
| H15 | CAA | CAB | H17 | 51.1° | 35.3° |
| H17 | CAB | OAG | H18 | 58.0° | 61.7° |
