7LK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAU | CAV | sing | 1.47Å | 1.48Å | |
| NAU | CAT | sing | 1.47Å | 1.48Å | |
| CAV | CAW | sing | 1.53Å | 1.53Å | |
| CAT | CAS | sing | 1.53Å | 1.52Å | |
| CAW | NAR | sing | 1.47Å | 1.47Å | |
| CAS | NAR | sing | 1.47Å | 1.47Å | |
| NAR | CAO | sing | 1.40Å | 1.34Å | |
| CAO | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAM | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAL | CAF | sing | 1.48Å | 1.34Å | |
| CAF | CAG | doub | 1.36Å | 1.33Å | Aromatic |
| CAF | NAE | sing | 1.38Å | 1.34Å | Aromatic |
| CAG | CAH | sing | 1.41Å | 1.33Å | Aromatic |
| NAE | CAX | sing | 1.47Å | 1.49Å | |
| NAE | CAI | sing | 1.38Å | 1.32Å | Aromatic |
| CAH | CAI | doub | 1.41Å | 1.34Å | Aromatic |
| CAH | CAD | sing | 1.41Å | 1.33Å | Aromatic |
| CAI | NAC | sing | 1.32Å | 1.34Å | Aromatic |
| NAK | CAJ | trip | 1.14Å | 1.12Å | |
| CAJ | CAD | sing | 1.43Å | 1.41Å | |
| CAD | CAA | doub | 1.40Å | 1.38Å | Aromatic |
| NAC | CAB | doub | 1.32Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.38Å | Aromatic |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAB | H2 | sing | 1.08Å | 1.08Å | |
| CAG | H3 | sing | 1.08Å | 1.08Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| CAN | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.08Å | 1.08Å | |
| CAQ | H7 | sing | 1.08Å | 1.08Å | |
| CAS | H8 | sing | 1.09Å | 1.10Å | |
| CAS | H9 | sing | 1.09Å | 1.10Å | |
| CAT | H10 | sing | 1.09Å | 1.10Å | |
| CAT | H11 | sing | 1.09Å | 1.10Å | |
| CAV | H12 | sing | 1.09Å | 1.10Å | |
| CAV | H13 | sing | 1.09Å | 1.10Å | |
| CAW | H14 | sing | 1.09Å | 1.10Å | |
| CAW | H15 | sing | 1.09Å | 1.10Å | |
| CAX | H16 | sing | 1.09Å | 1.10Å | |
| CAX | H17 | sing | 1.09Å | 1.10Å | |
| CAX | H18 | sing | 1.09Å | 1.10Å | |
| NAU | H19 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | NAU | CAT | 103.9° | 110.9° |
| NAU | CAV | CAW | 113.4° | 109.4° |
| NAU | CAV | H12 | 108.5° | 109.5° |
| NAU | CAV | H13 | 108.5° | 109.5° |
| CAV | NAU | H19 | 110.9° | 111.0° |
| NAU | CAT | CAS | 113.3° | 109.4° |
| NAU | CAT | H10 | 108.5° | 109.5° |
| NAU | CAT | H11 | 108.5° | 109.5° |
| CAT | NAU | H19 | 110.8° | 111.0° |
| CAV | CAW | NAR | 109.3° | 109.3° |
| CAW | CAV | H12 | 108.5° | 109.4° |
| CAW | CAV | H13 | 108.5° | 109.5° |
| CAV | CAW | H14 | 109.5° | 109.5° |
| CAV | CAW | H15 | 109.5° | 109.5° |
| CAT | CAS | NAR | 109.6° | 109.3° |
| CAT | CAS | H8 | 109.4° | 109.5° |
| CAT | CAS | H9 | 109.5° | 109.5° |
| CAS | CAT | H10 | 108.5° | 109.5° |
| CAS | CAT | H11 | 108.5° | 109.5° |
| CAW | NAR | CAS | 111.6° | 110.9° |
| CAW | NAR | CAO | 123.8° | 111.0° |
| NAR | CAW | H14 | 109.5° | 109.5° |
| NAR | CAW | H15 | 109.5° | 109.5° |
| CAS | NAR | CAO | 121.9° | 111.0° |
| NAR | CAS | H8 | 109.4° | 109.5° |
| NAR | CAS | H9 | 109.4° | 109.4° |
| NAR | CAO | CAP | 121.3° | 119.9° |
| NAR | CAO | CAN | 118.8° | 119.9° |
| CAP | CAO | CAN | 119.9° | 120.2° |
| CAO | CAP | CAQ | 119.9° | 120.1° |
| CAO | CAP | H6 | 120.0° | 120.0° |
| CAO | CAN | CAM | 119.8° | 120.1° |
| CAO | CAN | H5 | 120.1° | 120.0° |
| CAP | CAQ | CAL | 120.6° | 119.9° |
| CAQ | CAP | H6 | 120.1° | 119.9° |
| CAP | CAQ | H7 | 119.7° | 120.1° |
| CAN | CAM | CAL | 121.2° | 119.9° |
| CAN | CAM | H4 | 119.4° | 120.0° |
| CAM | CAN | H5 | 120.1° | 120.0° |
| CAQ | CAL | CAM | 118.6° | 119.8° |
| CAQ | CAL | CAF | 119.0° | 120.1° |
| CAL | CAQ | H7 | 119.7° | 120.0° |
| CAM | CAL | CAF | 122.4° | 120.0° |
| CAL | CAM | H4 | 119.4° | 120.1° |
| CAL | CAF | CAG | 122.2° | 125.3° |
| CAL | CAF | NAE | 128.8° | 125.4° |
| CAG | CAF | NAE | 109.0° | 109.2° |
| CAF | CAG | CAH | 107.4° | 107.6° |
| CAF | CAG | H3 | 126.3° | 126.2° |
| CAF | NAE | CAX | 138.4° | 125.5° |
| CAF | NAE | CAI | 106.9° | 108.9° |
| CAG | CAH | CAI | 108.0° | 107.1° |
| CAG | CAH | CAD | 131.3° | 133.8° |
| CAH | CAG | H3 | 126.3° | 126.2° |
| CAX | NAE | CAI | 114.7° | 125.6° |
| NAE | CAX | H16 | 109.5° | 109.4° |
| NAE | CAX | H17 | 109.5° | 109.5° |
| NAE | CAX | H18 | 109.5° | 109.5° |
| NAE | CAI | CAH | 108.7° | 107.0° |
| NAE | CAI | NAC | 129.5° | 132.9° |
| CAI | CAH | CAD | 120.6° | 119.1° |
| CAH | CAI | NAC | 121.8° | 120.0° |
| CAH | CAD | CAJ | 120.5° | 121.1° |
| CAH | CAD | CAA | 120.2° | 117.8° |
| CAI | NAC | CAB | 119.9° | 122.1° |
| NAK | CAJ | CAD | 179.6° | 180.0° |
| CAJ | CAD | CAA | 119.3° | 121.1° |
| CAD | CAA | CAB | 119.4° | 119.2° |
| CAD | CAA | H1 | 120.3° | 120.3° |
| NAC | CAB | CAA | 118.1° | 121.8° |
| NAC | CAB | H2 | 121.0° | 119.1° |
| CAB | CAA | H1 | 120.3° | 120.5° |
| CAA | CAB | H2 | 121.0° | 119.1° |
| H8 | CAS | H9 | 109.5° | 109.5° |
| H10 | CAT | H11 | 109.5° | 109.5° |
| H12 | CAV | H13 | 109.5° | 109.5° |
| H14 | CAW | H15 | 109.5° | 109.5° |
| H16 | CAX | H17 | 109.5° | 109.5° |
| H16 | CAX | H18 | 109.5° | 109.5° |
| H17 | CAX | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | NAU | CAT | H19 | 119.2° | 123.9° |
| NAU | CAV | CAW | H12 | 120.6° | 120.0° |
| NAU | CAV | CAW | H13 | 120.6° | 120.0° |
| CAV | NAU | CAT | CAS | 60.5° | 59.4° |
| NAU | CAV | CAW | NAR | 59.6° | 58.4° |
| CAV | NAU | CAT | H10 | 178.9° | 60.6° |
| CAV | NAU | CAT | H11 | 60.0° | 179.3° |
| NAU | CAV | H12 | H13 | 118.2° | 120.1° |
| NAU | CAV | CAW | H14 | 179.5° | 178.4° |
| NAU | CAV | CAW | H15 | 60.4° | 61.5° |
| CAT | NAU | CAV | CAW | 60.6° | 59.4° |
| NAU | CAT | CAS | H10 | 120.5° | 120.0° |
| NAU | CAT | CAS | H11 | 120.5° | 120.0° |
| NAU | CAT | CAS | NAR | 59.6° | 58.5° |
| NAU | CAT | CAS | H8 | 60.4° | 61.5° |
| NAU | CAT | CAS | H9 | 179.7° | 178.3° |
| NAU | CAT | H10 | H11 | 118.2° | 120.1° |
| CAT | NAU | CAV | H12 | 60.0° | 179.3° |
| CAT | NAU | CAV | H13 | 178.9° | 60.7° |
| CAV | CAW | NAR | H14 | 120.0° | 120.0° |
| CAV | CAW | NAR | H15 | 120.0° | 119.9° |
| CAV | CAW | NAR | CAS | 54.2° | 59.3° |
| CAV | CAW | NAR | CAO | 144.5° | 176.8° |
| CAW | CAV | H12 | H13 | 118.2° | 120.0° |
| CAV | CAW | H14 | H15 | 120.1° | 120.1° |
| CAW | CAV | NAU | H19 | 58.6° | 64.5° |
| CAT | CAS | NAR | CAW | 54.3° | 59.3° |
| CAT | CAS | NAR | H8 | 120.0° | 120.0° |
| CAT | CAS | NAR | H9 | 120.0° | 119.9° |
| CAT | CAS | NAR | CAO | 143.9° | 176.8° |
| CAT | CAS | H8 | H9 | 119.9° | 120.1° |
| CAS | CAT | H10 | H11 | 118.3° | 120.0° |
| CAS | CAT | NAU | H19 | 58.6° | 64.5° |
| CAW | NAR | CAS | CAO | 161.8° | 123.9° |
| CAW | NAR | CAO | CAP | 21.4° | 56.2° |
| CAW | NAR | CAO | CAN | 159.9° | 124.1° |
| CAW | NAR | CAS | H8 | 65.7° | 60.7° |
| CAW | NAR | CAS | H9 | 174.4° | 179.3° |
| NAR | CAW | CAV | H12 | 61.0° | 178.4° |
| NAR | CAW | CAV | H13 | 179.8° | 61.6° |
| NAR | CAW | H14 | H15 | 120.0° | 120.1° |
| CAS | NAR | CAO | CAP | 179.1° | 180.0° |
| CAS | NAR | CAO | CAN | 0.4° | 0.3° |
| NAR | CAS | H8 | H9 | 119.9° | 120.0° |
| NAR | CAS | CAT | H10 | 179.8° | 61.5° |
| NAR | CAS | CAT | H11 | 60.9° | 178.4° |
| CAS | NAR | CAW | H14 | 174.2° | 179.3° |
| CAS | NAR | CAW | H15 | 65.8° | 60.6° |
| NAR | CAO | CAP | CAN | 178.7° | 179.8° |
| NAR | CAO | CAP | CAQ | 179.3° | 180.0° |
| NAR | CAO | CAN | CAM | 179.3° | 179.7° |
| NAR | CAO | CAN | H5 | 0.7° | 0.2° |
| NAR | CAO | CAP | H6 | 0.8° | 0.2° |
| CAO | NAR | CAS | H8 | 96.1° | 63.2° |
| CAO | NAR | CAS | H9 | 23.8° | 56.8° |
| CAO | NAR | CAW | H14 | 24.5° | 56.8° |
| CAO | NAR | CAW | H15 | 95.5° | 63.3° |
| CAO | CAP | CAQ | H6 | 180.0° | 179.8° |
| CAP | CAO | CAN | CAM | 0.6° | 0.0° |
| CAO | CAP | CAQ | CAL | 0.1° | 0.5° |
| CAP | CAO | CAN | H5 | 179.4° | 180.0° |
| CAO | CAP | CAQ | H7 | 179.9° | 180.0° |
| CAN | CAO | CAP | CAQ | 0.6° | 0.2° |
| CAO | CAN | CAM | H5 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAL | 0.1° | 0.0° |
| CAO | CAN | CAM | H4 | 179.9° | 179.9° |
| CAN | CAO | CAP | H6 | 179.4° | 180.0° |
| CAP | CAQ | CAL | H7 | 180.0° | 179.4° |
| CAP | CAQ | CAL | CAM | 0.4° | 0.6° |
| CAP | CAQ | CAL | CAF | 179.6° | 179.8° |
| CAN | CAM | CAL | CAQ | 0.4° | 0.3° |
| CAN | CAM | CAL | H4 | 180.0° | 179.9° |
| CAN | CAM | CAL | CAF | 179.5° | 179.9° |
| CAQ | CAL | CAM | CAF | 179.1° | 179.6° |
| CAQ | CAL | CAF | CAG | 1.2° | 22.2° |
| CAQ | CAL | CAF | NAE | 179.9° | 157.8° |
| CAQ | CAL | CAM | H4 | 179.7° | 179.8° |
| CAL | CAQ | CAP | H6 | 179.9° | 179.7° |
| CAM | CAL | CAF | CAG | 177.9° | 158.2° |
| CAM | CAL | CAF | NAE | 1.0° | 21.8° |
| CAL | CAM | CAN | H5 | 179.9° | 179.9° |
| CAM | CAL | CAQ | H7 | 179.6° | 180.0° |
| CAL | CAF | CAG | NAE | 179.1° | 180.0° |
| CAL | CAF | CAG | CAH | 179.5° | 179.9° |
| CAL | CAF | NAE | CAX | 1.0° | 0.1° |
| CAL | CAF | NAE | CAI | 179.4° | 179.9° |
| CAL | CAF | CAG | H3 | 0.5° | 0.0° |
| CAF | CAL | CAM | H4 | 0.5° | 0.2° |
| CAF | CAL | CAQ | H7 | 0.4° | 0.4° |
| CAF | CAG | CAH | H3 | 180.0° | 179.9° |
| CAG | CAF | NAE | CAX | 180.0° | 180.0° |
| CAG | CAF | NAE | CAI | 0.4° | 0.0° |
| CAF | CAG | CAH | CAI | 0.3° | 0.0° |
| CAF | CAG | CAH | CAD | 179.8° | 180.0° |
| NAE | CAF | CAG | CAH | 0.4° | 0.0° |
| CAF | NAE | CAX | CAI | 179.6° | 180.0° |
| CAF | NAE | CAI | CAH | 0.2° | 0.0° |
| CAF | NAE | CAI | NAC | 179.7° | 179.7° |
| NAE | CAF | CAG | H3 | 179.6° | 180.0° |
| CAF | NAE | CAX | H16 | 180.0° | 84.2° |
| CAF | NAE | CAX | H17 | 60.0° | 155.9° |
| CAF | NAE | CAX | H18 | 60.0° | 35.9° |
| CAG | CAH | CAI | NAE | 0.0° | 0.0° |
| CAG | CAH | CAI | CAD | 179.9° | 180.0° |
| CAG | CAH | CAI | NAC | 180.0° | 179.8° |
| CAG | CAH | CAD | CAJ | 0.0° | 0.0° |
| CAG | CAH | CAD | CAA | 180.0° | 180.0° |
| CAX | NAE | CAI | CAH | 180.0° | 180.0° |
| CAX | NAE | CAI | NAC | 0.0° | 0.3° |
| NAE | CAX | H16 | H17 | 120.0° | 119.9° |
| NAE | CAX | H16 | H18 | 120.0° | 120.0° |
| NAE | CAX | H17 | H18 | 120.0° | 120.0° |
| NAE | CAI | CAH | NAC | 179.9° | 179.8° |
| NAE | CAI | CAH | CAD | 180.0° | 180.0° |
| NAE | CAI | NAC | CAB | 179.9° | 179.8° |
| CAI | NAE | CAX | H16 | 0.4° | 95.8° |
| CAI | NAE | CAX | H17 | 119.6° | 24.1° |
| CAI | NAE | CAX | H18 | 120.4° | 144.1° |
| CAI | CAH | CAD | CAJ | 179.9° | 180.0° |
| CAI | CAH | CAD | CAA | 0.1° | 0.0° |
| CAH | CAI | NAC | CAB | 0.0° | 0.5° |
| CAI | CAH | CAG | H3 | 179.7° | 179.9° |
| CAD | CAH | CAI | NAC | 0.1° | 0.2° |
| CAH | CAD | CAJ | NAK | 179.6° | 50.9° |
| CAH | CAD | CAJ | CAA | 180.0° | 180.0° |
| CAH | CAD | CAA | CAB | 0.0° | 0.0° |
| CAH | CAD | CAA | H1 | 179.9° | 179.7° |
| CAD | CAH | CAG | H3 | 0.2° | 0.1° |
| CAI | NAC | CAB | CAA | 0.1° | 0.5° |
| CAI | NAC | CAB | H2 | 179.9° | 179.5° |
| NAK | CAJ | CAD | CAA | 0.4° | 129.0° |
| CAJ | CAD | CAA | CAB | 179.9° | 180.0° |
| CAJ | CAD | CAA | H1 | 0.1° | 0.2° |
| CAD | CAA | CAB | NAC | 0.2° | 0.2° |
| CAD | CAA | CAB | H1 | 180.0° | 179.8° |
| CAD | CAA | CAB | H2 | 179.9° | 179.8° |
| NAC | CAB | CAA | H2 | 180.0° | 180.0° |
| NAC | CAB | CAA | H1 | 179.8° | 180.0° |
| H1 | CAA | CAB | H2 | 0.2° | 0.0° |
| H4 | CAM | CAN | H5 | 0.1° | 0.0° |
| H6 | CAP | CAQ | H7 | 0.1° | 0.2° |
| H8 | CAS | CAT | H10 | 60.2° | 178.5° |
| H8 | CAS | CAT | H11 | 179.1° | 58.4° |
| H9 | CAS | CAT | H10 | 59.8° | 58.4° |
| H9 | CAS | CAT | H11 | 59.1° | 61.7° |
| H10 | CAT | NAU | H19 | 61.9° | 175.5° |
| H11 | CAT | NAU | H19 | 179.2° | 55.4° |
| H12 | CAV | CAW | H14 | 59.0° | 61.7° |
| H12 | CAV | CAW | H15 | 179.0° | 58.4° |
| H12 | CAV | NAU | H19 | 179.2° | 55.4° |
| H13 | CAV | CAW | H14 | 59.9° | 58.3° |
| H13 | CAV | CAW | H15 | 60.2° | 178.4° |
| H13 | CAV | NAU | H19 | 62.0° | 175.5° |
| H16 | CAX | H17 | H18 | 120.0° | 120.1° |
