K88
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | NAA | sing | 1.46Å | 1.47Å | |
| NAA | CAD | sing | 1.47Å | 1.48Å | |
| NAA | SAB | sing | 1.66Å | 1.72Å | |
| SAB | OAE | doub | 1.42Å | 1.48Å | |
| SAB | OAF | doub | 1.42Å | 1.48Å | |
| SAB | CAG | sing | 1.76Å | 1.80Å | |
| CAG | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.40Å | 1.41Å | Aromatic |
| CAI | CAM | sing | 1.48Å | 1.38Å | |
| CAL | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | NAO | sing | 1.39Å | 1.34Å | |
| NAO | CAN | sing | 1.34Å | 1.34Å | |
| CAN | OAZ | doub | 1.22Å | 1.23Å | |
| CAN | CAM | sing | 1.47Å | 1.41Å | |
| CAM | CAP | doub | 1.38Å | 1.39Å | |
| CAP | CAQ | sing | 1.41Å | 1.40Å | |
| CAQ | CAR | doub | 1.39Å | 1.36Å | Aromatic |
| CAQ | NAU | sing | 1.38Å | 1.35Å | Aromatic |
| CAR | CAS | sing | 1.39Å | 1.36Å | Aromatic |
| CAS | CAV | sing | 1.51Å | 1.54Å | |
| CAS | CAT | doub | 1.36Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.53Å | 1.55Å | |
| CAW | CAX | sing | 1.53Å | 1.55Å | |
| CAX | CAY | sing | 1.53Å | 1.55Å | |
| CAY | CAT | sing | 1.51Å | 1.53Å | |
| CAT | NAU | sing | 1.35Å | 1.34Å | Aromatic |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD3 | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| NAU | HAU | sing | 0.97Å | 1.00Å | |
| CAV | HAV1 | sing | 1.09Å | 1.10Å | |
| CAV | HAV2 | sing | 1.09Å | 1.10Å | |
| CAW | HAW1 | sing | 1.09Å | 1.10Å | |
| CAW | HAW2 | sing | 1.09Å | 1.10Å | |
| CAX | HAX1 | sing | 1.09Å | 1.10Å | |
| CAX | HAX2 | sing | 1.09Å | 1.10Å | |
| CAY | HAY1 | sing | 1.09Å | 1.10Å | |
| CAY | HAY2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | NAA | CAD | 109.3° | 120.0° |
| CAC | NAA | SAB | 111.8° | 120.0° |
| NAA | CAC | HAC1 | 109.5° | 109.5° |
| NAA | CAC | HAC2 | 109.5° | 109.5° |
| NAA | CAC | HAC3 | 109.5° | 109.5° |
| CAD | NAA | SAB | 110.7° | 120.0° |
| NAA | CAD | HAD1 | 109.5° | 109.4° |
| NAA | CAD | HAD2 | 109.5° | 109.5° |
| NAA | CAD | HAD3 | 109.5° | 109.5° |
| NAA | SAB | OAE | 112.3° | 106.4° |
| NAA | SAB | OAF | 108.8° | 106.4° |
| NAA | SAB | CAG | 107.7° | 107.2° |
| OAE | SAB | OAF | 113.4° | 123.1° |
| OAE | SAB | CAG | 104.0° | 106.4° |
| OAF | SAB | CAG | 110.4° | 106.4° |
| SAB | CAG | CAH | 119.5° | 119.9° |
| SAB | CAG | CAL | 120.3° | 119.9° |
| CAH | CAG | CAL | 120.2° | 120.1° |
| CAG | CAH | CAI | 118.9° | 119.7° |
| CAG | CAH | HAH | 120.5° | 120.2° |
| CAG | CAL | CAK | 120.9° | 120.6° |
| CAG | CAL | HAL | 119.5° | 119.7° |
| CAH | CAI | CAJ | 121.3° | 120.4° |
| CAH | CAI | CAM | 131.7° | 133.3° |
| CAI | CAH | HAH | 120.6° | 120.1° |
| CAJ | CAI | CAM | 107.0° | 106.3° |
| CAI | CAJ | CAK | 119.6° | 119.1° |
| CAI | CAJ | NAO | 108.8° | 109.2° |
| CAI | CAM | CAN | 105.8° | 105.1° |
| CAI | CAM | CAP | 122.4° | 127.4° |
| CAL | CAK | CAJ | 119.0° | 120.1° |
| CAK | CAL | HAL | 119.6° | 119.7° |
| CAL | CAK | HAK | 120.5° | 119.9° |
| CAK | CAJ | NAO | 131.6° | 131.7° |
| CAJ | CAK | HAK | 120.5° | 120.0° |
| CAJ | NAO | CAN | 108.8° | 111.3° |
| CAJ | NAO | HAO | 125.6° | 124.3° |
| NAO | CAN | OAZ | 123.3° | 126.0° |
| NAO | CAN | CAM | 109.6° | 108.1° |
| CAN | NAO | HAO | 125.6° | 124.3° |
| OAZ | CAN | CAM | 127.1° | 126.0° |
| CAN | CAM | CAP | 131.8° | 127.5° |
| CAM | CAP | CAQ | 124.7° | 120.0° |
| CAM | CAP | HAP | 117.7° | 120.0° |
| CAP | CAQ | CAR | 121.0° | 126.3° |
| CAP | CAQ | NAU | 129.9° | 126.2° |
| CAQ | CAP | HAP | 117.6° | 119.9° |
| CAR | CAQ | NAU | 109.2° | 107.4° |
| CAQ | CAR | CAS | 107.4° | 106.9° |
| CAQ | CAR | HAR | 126.3° | 126.5° |
| CAQ | NAU | CAT | 108.2° | 108.6° |
| CAQ | NAU | HAU | 125.9° | 125.6° |
| CAR | CAS | CAV | 128.7° | 127.6° |
| CAR | CAS | CAT | 107.4° | 108.1° |
| CAS | CAR | HAR | 126.3° | 126.6° |
| CAV | CAS | CAT | 123.8° | 124.3° |
| CAS | CAV | CAW | 112.5° | 108.4° |
| CAS | CAV | HAV1 | 108.5° | 109.6° |
| CAS | CAV | HAV2 | 107.8° | 109.7° |
| CAS | CAT | CAY | 125.2° | 123.8° |
| CAS | CAT | NAU | 107.7° | 108.9° |
| CAV | CAW | CAX | 118.6° | 109.5° |
| CAW | CAV | HAV1 | 108.5° | 109.7° |
| CAW | CAV | HAV2 | 107.8° | 109.7° |
| CAV | CAW | HAW1 | 106.5° | 109.5° |
| CAV | CAW | HAW2 | 104.4° | 109.5° |
| CAW | CAX | CAY | 116.0° | 109.5° |
| CAX | CAW | HAW1 | 106.6° | 109.4° |
| CAX | CAW | HAW2 | 104.4° | 109.4° |
| CAW | CAX | HAX1 | 107.3° | 109.4° |
| CAW | CAX | HAX2 | 105.9° | 109.5° |
| CAX | CAY | CAT | 109.3° | 108.4° |
| CAY | CAX | HAX1 | 107.4° | 109.5° |
| CAY | CAX | HAX2 | 105.8° | 109.4° |
| CAX | CAY | HAY1 | 109.5° | 109.7° |
| CAX | CAY | HAY2 | 109.6° | 109.7° |
| CAY | CAT | NAU | 127.1° | 127.3° |
| CAT | CAY | HAY1 | 109.5° | 109.7° |
| CAT | CAY | HAY2 | 109.6° | 109.6° |
| CAT | NAU | HAU | 125.9° | 125.8° |
| HAC1 | CAC | HAC2 | 109.5° | 109.4° |
| HAC1 | CAC | HAC3 | 109.4° | 109.5° |
| HAC2 | CAC | HAC3 | 109.5° | 109.5° |
| HAD1 | CAD | HAD2 | 109.4° | 109.5° |
| HAD1 | CAD | HAD3 | 109.5° | 109.4° |
| HAD2 | CAD | HAD3 | 109.5° | 109.5° |
| HAV1 | CAV | HAV2 | 111.9° | 109.7° |
| HAW1 | CAW | HAW2 | 117.0° | 109.5° |
| HAX1 | CAX | HAX2 | 114.7° | 109.5° |
| HAY1 | CAY | HAY2 | 109.3° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | NAA | CAD | SAB | 123.5° | 180.0° |
| CAC | NAA | SAB | OAE | 64.8° | 156.5° |
| CAC | NAA | SAB | OAF | 168.8° | 23.5° |
| CAC | NAA | SAB | CAG | 49.1° | 90.0° |
| NAA | CAC | HAC1 | HAC2 | 120.0° | 120.0° |
| NAA | CAC | HAC1 | HAC3 | 120.0° | 120.1° |
| NAA | CAC | HAC2 | HAC3 | 120.0° | 120.0° |
| CAC | NAA | CAD | HAD1 | 141.0° | 90.0° |
| CAC | NAA | CAD | HAD2 | 21.1° | 150.0° |
| CAC | NAA | CAD | HAD3 | 99.0° | 29.9° |
| CAD | NAA | SAB | OAE | 173.1° | 23.6° |
| CAD | NAA | SAB | OAF | 46.8° | 156.5° |
| CAD | NAA | SAB | CAG | 72.9° | 90.0° |
| CAD | NAA | CAC | HAC1 | 52.1° | 90.0° |
| CAD | NAA | CAC | HAC2 | 67.9° | 150.0° |
| CAD | NAA | CAC | HAC3 | 172.1° | 30.0° |
| NAA | CAD | HAD1 | HAD2 | 120.0° | 120.0° |
| NAA | CAD | HAD1 | HAD3 | 120.0° | 120.0° |
| NAA | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| NAA | SAB | OAE | OAF | 123.8° | 123.0° |
| NAA | SAB | OAE | CAG | 116.2° | 114.1° |
| NAA | SAB | OAF | CAG | 118.0° | 114.1° |
| NAA | SAB | CAG | CAH | 77.6° | 90.0° |
| NAA | SAB | CAG | CAL | 101.3° | 90.3° |
| SAB | NAA | CAC | HAC1 | 175.0° | 90.0° |
| SAB | NAA | CAC | HAC2 | 55.0° | 30.0° |
| SAB | NAA | CAC | HAC3 | 65.0° | 150.0° |
| SAB | NAA | CAD | HAD1 | 17.5° | 90.0° |
| SAB | NAA | CAD | HAD2 | 102.5° | 30.0° |
| SAB | NAA | CAD | HAD3 | 137.5° | 150.0° |
| OAE | SAB | OAF | CAG | 116.2° | 122.9° |
| OAE | SAB | CAG | CAH | 163.0° | 23.6° |
| OAE | SAB | CAG | CAL | 18.1° | 156.2° |
| OAF | SAB | CAG | CAH | 41.1° | 156.5° |
| OAF | SAB | CAG | CAL | 140.0° | 23.3° |
| SAB | CAG | CAH | CAL | 178.9° | 179.8° |
| SAB | CAG | CAH | CAI | 178.9° | 180.0° |
| SAB | CAG | CAL | CAK | 178.7° | 180.0° |
| SAB | CAG | CAH | HAH | 1.1° | 0.0° |
| SAB | CAG | CAL | HAL | 1.3° | 0.0° |
| CAG | CAH | CAI | HAH | 180.0° | 180.0° |
| CAG | CAH | CAI | CAJ | 0.1° | 0.0° |
| CAG | CAH | CAI | CAM | 178.6° | 180.0° |
| CAH | CAG | CAL | CAK | 0.2° | 0.2° |
| CAH | CAG | CAL | HAL | 179.8° | 179.8° |
| CAL | CAG | CAH | CAI | 0.0° | 0.2° |
| CAG | CAL | CAK | HAL | 180.0° | 180.0° |
| CAG | CAL | CAK | CAJ | 0.4° | 0.0° |
| CAL | CAG | CAH | HAH | 180.0° | 179.8° |
| CAG | CAL | CAK | HAK | 179.6° | 179.9° |
| CAH | CAI | CAJ | CAM | 178.9° | 180.0° |
| CAH | CAI | CAJ | CAK | 0.3° | 0.3° |
| CAH | CAI | CAJ | NAO | 178.8° | 180.0° |
| CAH | CAI | CAM | CAN | 178.2° | 180.0° |
| CAH | CAI | CAM | CAP | 2.0° | 0.0° |
| CAI | CAJ | CAK | CAL | 0.5° | 0.3° |
| CAI | CAJ | CAK | NAO | 178.9° | 179.7° |
| CAI | CAJ | NAO | CAN | 0.5° | 0.0° |
| CAJ | CAI | CAM | CAN | 0.5° | 0.0° |
| CAJ | CAI | CAM | CAP | 179.4° | 180.0° |
| CAJ | CAI | CAH | HAH | 179.9° | 180.0° |
| CAI | CAJ | CAK | HAK | 179.5° | 179.7° |
| CAI | CAJ | NAO | HAO | 179.5° | 179.9° |
| CAM | CAI | CAJ | CAK | 179.2° | 179.7° |
| CAM | CAI | CAJ | NAO | 0.0° | 0.0° |
| CAI | CAM | CAN | NAO | 0.9° | 0.0° |
| CAI | CAM | CAN | OAZ | 178.9° | 179.9° |
| CAI | CAM | CAN | CAP | 179.9° | 180.0° |
| CAI | CAM | CAP | CAQ | 168.7° | 172.7° |
| CAM | CAI | CAH | HAH | 1.4° | 0.0° |
| CAI | CAM | CAP | HAP | 11.3° | 7.3° |
| CAL | CAK | CAJ | HAK | 180.0° | 180.0° |
| CAL | CAK | CAJ | NAO | 178.4° | 179.9° |
| CAK | CAJ | NAO | CAN | 178.5° | 179.7° |
| CAJ | CAK | CAL | HAL | 179.6° | 180.0° |
| CAK | CAJ | NAO | HAO | 1.5° | 0.2° |
| CAJ | NAO | CAN | HAO | 180.0° | 179.9° |
| CAJ | NAO | CAN | OAZ | 178.9° | 180.0° |
| CAJ | NAO | CAN | CAM | 0.8° | 0.0° |
| NAO | CAJ | CAK | HAK | 1.6° | 0.0° |
| NAO | CAN | OAZ | CAM | 177.8° | 179.9° |
| NAO | CAN | CAM | CAP | 179.0° | 180.0° |
| OAZ | CAN | CAM | CAP | 1.0° | 0.1° |
| OAZ | CAN | NAO | HAO | 1.0° | 0.2° |
| CAN | CAM | CAP | CAQ | 11.2° | 7.3° |
| CAM | CAN | NAO | HAO | 179.1° | 179.9° |
| CAN | CAM | CAP | HAP | 168.8° | 172.7° |
| CAM | CAP | CAQ | HAP | 180.0° | 180.0° |
| CAM | CAP | CAQ | CAR | 169.1° | 143.1° |
| CAM | CAP | CAQ | NAU | 12.5° | 37.2° |
| CAP | CAQ | CAR | NAU | 178.8° | 179.7° |
| CAP | CAQ | CAR | CAS | 178.9° | 180.0° |
| CAP | CAQ | NAU | CAT | 178.0° | 179.8° |
| CAP | CAQ | CAR | HAR | 1.1° | 0.0° |
| CAP | CAQ | NAU | HAU | 2.0° | 0.0° |
| CAQ | CAR | CAS | HAR | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAV | 179.1° | 179.9° |
| CAQ | CAR | CAS | CAT | 0.8° | 0.0° |
| CAR | CAQ | NAU | CAT | 0.6° | 0.5° |
| CAR | CAQ | CAP | HAP | 10.9° | 36.8° |
| CAR | CAQ | NAU | HAU | 179.4° | 179.7° |
| NAU | CAQ | CAR | CAS | 0.2° | 0.3° |
| CAQ | NAU | CAT | CAS | 1.1° | 0.5° |
| CAQ | NAU | CAT | CAY | 179.5° | 179.7° |
| CAQ | NAU | CAT | HAU | 180.0° | 179.8° |
| NAU | CAQ | CAP | HAP | 167.5° | 142.8° |
| NAU | CAQ | CAR | HAR | 179.9° | 179.7° |
| CAR | CAS | CAV | CAT | 178.0° | 179.9° |
| CAR | CAS | CAV | CAW | 174.9° | 163.4° |
| CAR | CAS | CAT | CAY | 179.4° | 179.9° |
| CAR | CAS | CAT | NAU | 1.1° | 0.3° |
| CAR | CAS | CAV | HAV1 | 65.1° | 76.8° |
| CAR | CAS | CAV | HAV2 | 56.2° | 43.7° |
| CAS | CAV | CAW | HAV1 | 120.0° | 119.7° |
| CAS | CAV | CAW | HAV2 | 118.7° | 119.7° |
| CAS | CAV | CAW | CAX | 17.2° | 50.0° |
| CAV | CAS | CAT | CAY | 1.0° | 0.2° |
| CAV | CAS | CAT | NAU | 179.5° | 179.6° |
| CAV | CAS | CAR | HAR | 1.0° | 0.1° |
| CAS | CAV | HAV1 | HAV2 | 118.7° | 120.5° |
| CAS | CAV | CAW | HAW1 | 102.8° | 169.9° |
| CAS | CAV | CAW | HAW2 | 132.8° | 70.0° |
| CAT | CAS | CAV | CAW | 3.1° | 16.5° |
| CAS | CAT | CAY | CAX | 23.7° | 16.7° |
| CAS | CAT | CAY | NAU | 179.4° | 179.7° |
| CAT | CAS | CAR | HAR | 179.2° | 179.9° |
| CAS | CAT | NAU | HAU | 178.9° | 179.7° |
| CAT | CAS | CAV | HAV1 | 116.9° | 103.2° |
| CAT | CAS | CAV | HAV2 | 121.8° | 136.2° |
| CAS | CAT | CAY | HAY1 | 96.3° | 136.4° |
| CAS | CAT | CAY | HAY2 | 143.8° | 103.0° |
| CAV | CAW | CAX | HAW1 | 120.0° | 120.0° |
| CAV | CAW | CAX | HAW2 | 115.6° | 120.0° |
| CAV | CAW | CAX | CAY | 41.9° | 70.5° |
| CAW | CAV | HAV1 | HAV2 | 118.8° | 120.6° |
| CAV | CAW | HAW1 | HAW2 | 116.2° | 120.1° |
| CAV | CAW | CAX | HAX1 | 161.9° | 49.5° |
| CAV | CAW | CAX | HAX2 | 75.1° | 169.5° |
| CAW | CAX | CAY | HAX1 | 120.0° | 120.0° |
| CAW | CAX | CAY | HAX2 | 117.0° | 120.0° |
| CAW | CAX | CAY | CAT | 42.3° | 50.2° |
| CAX | CAW | CAV | HAV1 | 137.2° | 69.7° |
| CAX | CAW | CAV | HAV2 | 101.5° | 169.7° |
| CAX | CAW | HAW1 | HAW2 | 116.2° | 119.9° |
| CAW | CAX | HAX1 | HAX2 | 117.3° | 120.0° |
| CAW | CAX | CAY | HAY1 | 77.7° | 169.9° |
| CAW | CAX | CAY | HAY2 | 162.4° | 69.4° |
| CAX | CAY | CAT | HAY1 | 120.0° | 119.7° |
| CAX | CAY | CAT | HAY2 | 120.1° | 119.7° |
| CAX | CAY | CAT | NAU | 156.9° | 163.6° |
| CAY | CAX | CAW | HAW1 | 78.1° | 169.5° |
| CAY | CAX | CAW | HAW2 | 157.5° | 49.5° |
| CAY | CAX | HAX1 | HAX2 | 117.3° | 120.0° |
| CAX | CAY | HAY1 | HAY2 | 120.0° | 120.6° |
| CAY | CAT | NAU | HAU | 0.5° | 0.1° |
| CAT | CAY | CAX | HAX1 | 162.3° | 69.8° |
| CAT | CAY | CAX | HAX2 | 74.7° | 170.2° |
| CAT | CAY | HAY1 | HAY2 | 120.1° | 120.5° |
| NAU | CAT | CAY | HAY1 | 83.1° | 43.9° |
| NAU | CAT | CAY | HAY2 | 36.8° | 76.7° |
| HAC1 | CAC | HAC2 | HAC3 | 120.0° | 120.0° |
| HAD1 | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| HAL | CAL | CAK | HAK | 0.4° | 0.1° |
| HAV1 | CAV | CAW | HAW1 | 17.2° | 50.2° |
| HAV1 | CAV | CAW | HAW2 | 107.2° | 170.3° |
| HAV2 | CAV | CAW | HAW1 | 138.5° | 70.4° |
| HAV2 | CAV | CAW | HAW2 | 14.2° | 49.7° |
| HAW1 | CAW | CAX | HAX1 | 41.9° | 70.5° |
| HAW1 | CAW | CAX | HAX2 | 164.9° | 49.6° |
| HAW2 | CAW | CAX | HAX1 | 82.5° | 169.6° |
| HAW2 | CAW | CAX | HAX2 | 40.5° | 70.4° |
| HAX1 | CAX | CAY | HAY1 | 42.3° | 49.9° |
| HAX1 | CAX | CAY | HAY2 | 77.6° | 170.6° |
| HAX2 | CAX | CAY | HAY1 | 165.3° | 70.1° |
| HAX2 | CAX | CAY | HAY2 | 45.4° | 50.5° |
