5KP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAO | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAM | doub | 1.39Å | 1.41Å | Aromatic |
| CAQ | CAR | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAG | sing | 1.51Å | 1.53Å | |
| CAM | CAR | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | NAH | sing | 1.40Å | 1.35Å | |
| NAH | CAG | sing | 1.35Å | 1.35Å | Aromatic |
| NAH | NAI | sing | 1.29Å | 1.18Å | Aromatic |
| CAG | CAD | doub | 1.37Å | 1.32Å | Aromatic |
| NAI | CAE | doub | 1.31Å | 1.33Å | Aromatic |
| CAD | CAC | sing | 1.46Å | 1.35Å | |
| CAD | CAE | sing | 1.48Å | 1.31Å | Aromatic |
| CAL | CAC | sing | 1.51Å | 1.40Å | |
| CAC | NAB | doub | 1.30Å | 1.35Å | |
| CAE | CAF | sing | 1.47Å | 1.31Å | |
| CAF | NAA | sing | 1.35Å | 1.36Å | |
| CAF | OAJ | doub | 1.22Å | 1.24Å | |
| NAB | NAA | sing | 1.39Å | 1.19Å | |
| NAA | CAS | sing | 1.46Å | 1.47Å | |
| CAS | CAT | sing | 1.53Å | 1.48Å | |
| CAT | CAU | sing | 1.53Å | 1.52Å | |
| OAX | CAV | doub | 1.21Å | 1.24Å | |
| CBE | CAZ | sing | 1.51Å | 1.40Å | |
| CAU | CAV | sing | 1.51Å | 1.52Å | |
| CAV | NAW | sing | 1.35Å | 1.35Å | |
| CL1 | CBA | sing | 1.74Å | 1.67Å | |
| CAZ | CBA | doub | 1.38Å | 1.40Å | Aromatic |
| CAZ | CAY | sing | 1.39Å | 1.40Å | Aromatic |
| NAW | CAY | sing | 1.40Å | 1.33Å | |
| CBA | CBB | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CBD | doub | 1.39Å | 1.40Å | Aromatic |
| CBB | CBC | doub | 1.38Å | 1.39Å | Aromatic |
| CBD | CBC | sing | 1.38Å | 1.39Å | Aromatic |
| CBE | H1 | sing | 1.09Å | 1.10Å | |
| CBE | H2 | sing | 1.09Å | 1.10Å | |
| CBE | H3 | sing | 1.09Å | 1.10Å | |
| CBB | H4 | sing | 1.08Å | 1.08Å | |
| CBC | H5 | sing | 1.08Å | 1.08Å | |
| CBD | H6 | sing | 1.08Å | 1.08Å | |
| NAW | H7 | sing | 0.97Å | 1.00Å | |
| CAU | H8 | sing | 1.09Å | 1.10Å | |
| CAU | H9 | sing | 1.09Å | 1.10Å | |
| CAT | H10 | sing | 1.09Å | 1.10Å | |
| CAT | H11 | sing | 1.09Å | 1.10Å | |
| CAS | H12 | sing | 1.09Å | 1.10Å | |
| CAS | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAL | H15 | sing | 1.09Å | 1.10Å | |
| CAL | H16 | sing | 1.09Å | 1.10Å | |
| CAK | H17 | sing | 1.09Å | 1.10Å | |
| CAK | H18 | sing | 1.09Å | 1.10Å | |
| CAK | H19 | sing | 1.09Å | 1.10Å | |
| CAN | H20 | sing | 1.08Å | 1.08Å | |
| CAO | H21 | sing | 1.08Å | 1.08Å | |
| CAP | H22 | sing | 1.08Å | 1.08Å | |
| CAQ | H23 | sing | 1.08Å | 1.08Å | |
| CAR | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAP | CAO | CAN | 119.8° | 120.0° |
| CAO | CAP | CAQ | 119.7° | 120.2° |
| CAP | CAO | H21 | 120.1° | 120.0° |
| CAO | CAP | H22 | 120.2° | 119.9° |
| CAO | CAN | CAM | 120.5° | 119.9° |
| CAO | CAN | H20 | 119.7° | 120.0° |
| CAN | CAO | H21 | 120.1° | 120.0° |
| CAP | CAQ | CAR | 121.1° | 120.1° |
| CAQ | CAP | H22 | 120.1° | 119.9° |
| CAP | CAQ | H23 | 119.5° | 119.9° |
| CAN | CAM | CAR | 119.2° | 119.9° |
| CAN | CAM | NAH | 120.8° | 120.1° |
| CAM | CAN | H20 | 119.8° | 120.0° |
| CAQ | CAR | CAM | 119.8° | 119.9° |
| CAR | CAQ | H23 | 119.4° | 120.0° |
| CAQ | CAR | H24 | 120.1° | 120.1° |
| CAK | CAG | NAH | 125.6° | 126.6° |
| CAK | CAG | CAD | 125.1° | 126.6° |
| CAG | CAK | H17 | 109.5° | 109.5° |
| CAG | CAK | H18 | 109.4° | 109.5° |
| CAG | CAK | H19 | 109.4° | 109.5° |
| CAR | CAM | NAH | 120.0° | 120.0° |
| CAM | CAR | H24 | 120.1° | 120.0° |
| CAM | NAH | CAG | 126.7° | 124.1° |
| CAM | NAH | NAI | 124.8° | 124.1° |
| CAG | NAH | NAI | 108.4° | 111.8° |
| NAH | CAG | CAD | 109.3° | 106.8° |
| NAH | NAI | CAE | 109.8° | 110.8° |
| CAG | CAD | CAC | 138.0° | 137.3° |
| CAG | CAD | CAE | 102.5° | 104.5° |
| NAI | CAE | CAD | 109.9° | 106.1° |
| NAI | CAE | CAF | 131.4° | 136.7° |
| CAC | CAD | CAE | 119.5° | 118.2° |
| CAD | CAC | CAL | 122.7° | 120.1° |
| CAD | CAC | NAB | 118.7° | 119.8° |
| CAD | CAE | CAF | 118.7° | 117.2° |
| CAL | CAC | NAB | 118.6° | 120.1° |
| CAC | CAL | H14 | 109.5° | 109.5° |
| CAC | CAL | H15 | 109.5° | 109.5° |
| CAC | CAL | H16 | 109.5° | 109.5° |
| CAC | NAB | NAA | 120.9° | 123.4° |
| CAE | CAF | NAA | 119.9° | 118.7° |
| CAE | CAF | OAJ | 118.3° | 120.7° |
| NAA | CAF | OAJ | 121.7° | 120.7° |
| CAF | NAA | NAB | 122.2° | 122.7° |
| CAF | NAA | CAS | 115.4° | 118.6° |
| NAB | NAA | CAS | 122.4° | 118.7° |
| NAA | CAS | CAT | 112.3° | 109.5° |
| NAA | CAS | H12 | 108.7° | 109.6° |
| NAA | CAS | H13 | 108.7° | 109.5° |
| CAS | CAT | CAU | 101.0° | 109.5° |
| CAS | CAT | H10 | 111.5° | 109.5° |
| CAS | CAT | H11 | 111.5° | 109.4° |
| CAT | CAS | H12 | 108.8° | 109.5° |
| CAT | CAS | H13 | 108.7° | 109.4° |
| CAT | CAU | CAV | 109.3° | 109.5° |
| CAT | CAU | H8 | 109.5° | 109.5° |
| CAT | CAU | H9 | 109.5° | 109.5° |
| CAU | CAT | H10 | 111.6° | 109.5° |
| CAU | CAT | H11 | 111.5° | 109.5° |
| OAX | CAV | CAU | 123.5° | 120.0° |
| OAX | CAV | NAW | 124.9° | 120.0° |
| CBE | CAZ | CBA | 120.1° | 120.1° |
| CBE | CAZ | CAY | 123.2° | 120.0° |
| CAZ | CBE | H1 | 109.5° | 109.5° |
| CAZ | CBE | H2 | 109.5° | 109.5° |
| CAZ | CBE | H3 | 109.5° | 109.5° |
| CAU | CAV | NAW | 111.4° | 120.1° |
| CAV | CAU | H8 | 109.5° | 109.4° |
| CAV | CAU | H9 | 109.5° | 109.5° |
| CAV | NAW | CAY | 120.0° | 120.0° |
| CAV | NAW | H7 | 120.0° | 119.9° |
| CL1 | CBA | CAZ | 120.5° | 119.9° |
| CL1 | CBA | CBB | 117.6° | 120.0° |
| CBA | CAZ | CAY | 116.7° | 119.9° |
| CAZ | CBA | CBB | 121.9° | 120.1° |
| CAZ | CAY | NAW | 120.4° | 120.1° |
| CAZ | CAY | CBD | 121.9° | 119.9° |
| NAW | CAY | CBD | 117.7° | 120.1° |
| CAY | NAW | H7 | 120.0° | 120.0° |
| CBA | CBB | CBC | 120.5° | 120.1° |
| CBA | CBB | H4 | 119.8° | 120.0° |
| CAY | CBD | CBC | 120.4° | 120.0° |
| CAY | CBD | H6 | 119.8° | 120.0° |
| CBB | CBC | CBD | 118.7° | 120.0° |
| CBC | CBB | H4 | 119.7° | 119.9° |
| CBB | CBC | H5 | 120.7° | 119.9° |
| CBD | CBC | H5 | 120.7° | 120.0° |
| CBC | CBD | H6 | 119.8° | 120.0° |
| H1 | CBE | H2 | 109.5° | 109.5° |
| H1 | CBE | H3 | 109.5° | 109.5° |
| H2 | CBE | H3 | 109.4° | 109.4° |
| H8 | CAU | H9 | 109.5° | 109.5° |
| H10 | CAT | H11 | 109.5° | 109.5° |
| H12 | CAS | H13 | 109.5° | 109.5° |
| H14 | CAL | H15 | 109.4° | 109.5° |
| H14 | CAL | H16 | 109.5° | 109.5° |
| H15 | CAL | H16 | 109.4° | 109.4° |
| H17 | CAK | H18 | 109.5° | 109.5° |
| H17 | CAK | H19 | 109.5° | 109.5° |
| H18 | CAK | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAP | CAO | CAN | H21 | 180.0° | 179.9° |
| CAO | CAP | CAQ | H22 | 180.0° | 179.9° |
| CAP | CAO | CAN | CAM | 0.4° | 0.0° |
| CAO | CAP | CAQ | CAR | 0.4° | 0.0° |
| CAP | CAO | CAN | H20 | 179.5° | 180.0° |
| CAO | CAP | CAQ | H23 | 179.6° | 179.9° |
| CAN | CAO | CAP | CAQ | 0.4° | 0.0° |
| CAO | CAN | CAM | H20 | 180.0° | 180.0° |
| CAO | CAN | CAM | CAR | 1.2° | 0.0° |
| CAO | CAN | CAM | NAH | 179.6° | 179.7° |
| CAN | CAO | CAP | H22 | 179.6° | 180.0° |
| CAP | CAQ | CAR | H23 | 180.0° | 180.0° |
| CAP | CAQ | CAR | CAM | 0.3° | 0.1° |
| CAQ | CAP | CAO | H21 | 179.6° | 180.0° |
| CAP | CAQ | CAR | H24 | 179.8° | 179.7° |
| CAN | CAM | CAR | CAQ | 1.1° | 0.1° |
| CAN | CAM | CAR | NAH | 179.3° | 179.7° |
| CAN | CAM | NAH | CAG | 43.8° | 35.8° |
| CAN | CAM | NAH | NAI | 136.9° | 144.4° |
| CAM | CAN | CAO | H21 | 179.6° | 180.0° |
| CAN | CAM | CAR | H24 | 179.0° | 179.7° |
| CAQ | CAR | CAM | H24 | 180.0° | 179.8° |
| CAQ | CAR | CAM | NAH | 179.6° | 179.7° |
| CAR | CAQ | CAP | H22 | 179.5° | 180.0° |
| CAK | CAG | NAH | CAM | 0.3° | 0.0° |
| CAK | CAG | NAH | CAD | 179.3° | 180.0° |
| CAK | CAG | NAH | NAI | 179.2° | 179.8° |
| CAK | CAG | CAD | CAC | 0.9° | 0.0° |
| CAK | CAG | CAD | CAE | 179.1° | 179.8° |
| CAG | CAK | H17 | H18 | 120.0° | 120.0° |
| CAG | CAK | H17 | H19 | 120.0° | 120.1° |
| CAG | CAK | H18 | H19 | 120.0° | 120.0° |
| CAR | CAM | NAH | CAG | 136.9° | 144.5° |
| CAR | CAM | NAH | NAI | 42.4° | 35.3° |
| CAR | CAM | CAN | H20 | 178.8° | 180.0° |
| CAM | CAR | CAQ | H23 | 179.7° | 179.9° |
| CAM | NAH | CAG | NAI | 179.4° | 179.9° |
| CAM | NAH | CAG | CAD | 179.6° | 180.0° |
| CAM | NAH | NAI | CAE | 179.5° | 179.9° |
| NAH | CAM | CAN | H20 | 0.5° | 0.3° |
| NAH | CAM | CAR | H24 | 0.3° | 0.0° |
| CAG | NAH | NAI | CAE | 0.0° | 0.0° |
| NAH | CAG | CAD | CAC | 179.8° | 180.0° |
| NAH | CAG | CAD | CAE | 0.2° | 0.2° |
| NAH | CAG | CAK | H17 | 89.6° | 85.0° |
| NAH | CAG | CAK | H18 | 150.4° | 35.0° |
| NAH | CAG | CAK | H19 | 30.4° | 155.0° |
| NAI | NAH | CAG | CAD | 0.1° | 0.1° |
| NAH | NAI | CAE | CAD | 0.1° | 0.1° |
| NAH | NAI | CAE | CAF | 179.3° | 179.8° |
| CAG | CAD | CAE | NAI | 0.2° | 0.2° |
| CAG | CAD | CAC | CAE | 179.9° | 179.8° |
| CAG | CAD | CAC | CAL | 0.7° | 0.0° |
| CAG | CAD | CAC | NAB | 179.2° | 180.0° |
| CAG | CAD | CAE | CAF | 179.5° | 179.9° |
| CAD | CAG | CAK | H17 | 89.6° | 95.0° |
| CAD | CAG | CAK | H18 | 30.4° | 145.0° |
| CAD | CAG | CAK | H19 | 150.4° | 25.0° |
| NAI | CAE | CAD | CAC | 179.8° | 180.0° |
| NAI | CAE | CAD | CAF | 179.3° | 179.7° |
| NAI | CAE | CAF | NAA | 179.6° | 179.6° |
| NAI | CAE | CAF | OAJ | 0.6° | 0.4° |
| CAD | CAC | CAL | NAB | 179.9° | 180.0° |
| CAC | CAD | CAE | CAF | 0.5° | 0.2° |
| CAD | CAC | NAB | NAA | 1.2° | 0.0° |
| CAD | CAC | CAL | H14 | 179.8° | 180.0° |
| CAD | CAC | CAL | H15 | 59.9° | 59.9° |
| CAD | CAC | CAL | H16 | 60.1° | 60.0° |
| CAE | CAD | CAC | CAL | 179.4° | 179.8° |
| CAE | CAD | CAC | NAB | 0.8° | 0.2° |
| CAD | CAE | CAF | NAA | 0.4° | 0.0° |
| CAD | CAE | CAF | OAJ | 179.7° | 180.0° |
| CAL | CAC | NAB | NAA | 179.0° | 179.9° |
| CAC | CAL | H14 | H15 | 120.0° | 120.0° |
| CAC | CAL | H14 | H16 | 120.0° | 120.0° |
| CAC | CAL | H15 | H16 | 120.0° | 120.0° |
| CAC | NAB | NAA | CAF | 1.2° | 0.4° |
| CAC | NAB | NAA | CAS | 179.2° | 180.0° |
| NAB | CAC | CAL | H14 | 0.0° | 0.0° |
| NAB | CAC | CAL | H15 | 120.0° | 120.1° |
| NAB | CAC | CAL | H16 | 120.0° | 120.0° |
| CAE | CAF | NAA | OAJ | 179.8° | 180.0° |
| CAE | CAF | NAA | NAB | 0.9° | 0.3° |
| CAE | CAF | NAA | CAS | 179.0° | 180.0° |
| CAF | NAA | NAB | CAS | 178.0° | 179.6° |
| CAF | NAA | CAS | CAT | 177.5° | 90.1° |
| CAF | NAA | CAS | H12 | 57.0° | 30.0° |
| CAF | NAA | CAS | H13 | 62.1° | 150.0° |
| OAJ | CAF | NAA | NAB | 179.3° | 179.7° |
| OAJ | CAF | NAA | CAS | 1.2° | 0.0° |
| NAB | NAA | CAS | CAT | 4.4° | 90.3° |
| NAB | NAA | CAS | H12 | 124.9° | 149.7° |
| NAB | NAA | CAS | H13 | 116.0° | 29.6° |
| NAA | CAS | CAT | H12 | 120.4° | 120.1° |
| NAA | CAS | CAT | H13 | 120.4° | 120.0° |
| NAA | CAS | CAT | CAU | 166.6° | 180.0° |
| NAA | CAS | CAT | H10 | 48.0° | 59.9° |
| NAA | CAS | CAT | H11 | 74.8° | 60.0° |
| NAA | CAS | H12 | H13 | 118.7° | 120.1° |
| CAS | CAT | CAU | H10 | 118.6° | 120.0° |
| CAS | CAT | CAU | H11 | 118.6° | 120.0° |
| CAS | CAT | CAU | CAV | 121.6° | 179.9° |
| CAS | CAT | CAU | H8 | 118.5° | 60.0° |
| CAS | CAT | CAU | H9 | 1.6° | 60.0° |
| CAS | CAT | H10 | H11 | 123.9° | 120.0° |
| CAT | CAS | H12 | H13 | 118.7° | 119.9° |
| CAT | CAU | CAV | OAX | 10.2° | 0.1° |
| CAT | CAU | CAV | H8 | 120.0° | 120.0° |
| CAT | CAU | CAV | H9 | 120.0° | 120.0° |
| CAT | CAU | CAV | NAW | 164.8° | 180.0° |
| CAT | CAU | H8 | H9 | 120.1° | 120.0° |
| CAU | CAT | H10 | H11 | 124.0° | 120.0° |
| CAU | CAT | CAS | H12 | 73.0° | 59.9° |
| CAU | CAT | CAS | H13 | 46.2° | 60.0° |
| OAX | CAV | CAU | NAW | 175.0° | 179.9° |
| OAX | CAV | NAW | CAY | 8.8° | 5.7° |
| OAX | CAV | NAW | H7 | 171.2° | 174.4° |
| OAX | CAV | CAU | H8 | 109.8° | 120.0° |
| OAX | CAV | CAU | H9 | 130.1° | 119.9° |
| CBE | CAZ | CBA | CL1 | 0.1° | 0.0° |
| CBE | CAZ | CBA | CAY | 179.8° | 179.7° |
| CBE | CAZ | CAY | NAW | 0.5° | 0.0° |
| CBE | CAZ | CBA | CBB | 179.6° | 180.0° |
| CBE | CAZ | CAY | CBD | 179.3° | 179.7° |
| CAZ | CBE | H1 | H2 | 120.0° | 120.0° |
| CAZ | CBE | H1 | H3 | 120.0° | 120.0° |
| CAZ | CBE | H2 | H3 | 120.0° | 120.0° |
| CAU | CAV | NAW | CAY | 176.3° | 174.3° |
| CAU | CAV | NAW | H7 | 3.7° | 5.7° |
| CAV | CAU | H8 | H9 | 120.1° | 120.0° |
| CAV | CAU | CAT | H10 | 3.0° | 60.0° |
| CAV | CAU | CAT | H11 | 119.8° | 60.0° |
| CAV | NAW | CAY | CAZ | 65.7° | 155.5° |
| CAV | NAW | CAY | H7 | 180.0° | 180.0° |
| CAV | NAW | CAY | CBD | 114.5° | 24.8° |
| NAW | CAV | CAU | H8 | 75.2° | 60.0° |
| NAW | CAV | CAU | H9 | 44.9° | 60.0° |
| CL1 | CBA | CAZ | CBB | 179.7° | 179.9° |
| CL1 | CBA | CAZ | CAY | 179.9° | 179.7° |
| CL1 | CBA | CBB | CBC | 179.4° | 180.0° |
| CL1 | CBA | CBB | H4 | 0.6° | 0.0° |
| CBA | CAZ | CAY | NAW | 179.7° | 179.7° |
| CBA | CAZ | CAY | CBD | 0.5° | 0.7° |
| CAZ | CBA | CBB | CBC | 0.3° | 0.0° |
| CBA | CAZ | CBE | H1 | 89.9° | 90.0° |
| CBA | CAZ | CBE | H2 | 150.1° | 149.9° |
| CBA | CAZ | CBE | H3 | 30.1° | 30.0° |
| CAZ | CBA | CBB | H4 | 179.7° | 180.0° |
| CAZ | CAY | NAW | CBD | 179.8° | 179.7° |
| CAY | CAZ | CBA | CBB | 0.3° | 0.4° |
| CAZ | CAY | CBD | CBC | 0.3° | 0.6° |
| CAY | CAZ | CBE | H1 | 89.9° | 90.3° |
| CAY | CAZ | CBE | H2 | 30.1° | 29.7° |
| CAY | CAZ | CBE | H3 | 150.1° | 149.7° |
| CAZ | CAY | CBD | H6 | 179.7° | 179.6° |
| CAZ | CAY | NAW | H7 | 114.3° | 24.5° |
| NAW | CAY | CBD | CBC | 179.9° | 179.7° |
| NAW | CAY | CBD | H6 | 0.1° | 0.0° |
| CBA | CBB | CBC | H4 | 180.0° | 180.0° |
| CBA | CBB | CBC | CBD | 0.6° | 0.0° |
| CBA | CBB | CBC | H5 | 179.4° | 180.0° |
| CAY | CBD | CBC | CBB | 0.3° | 0.3° |
| CAY | CBD | CBC | H6 | 180.0° | 179.7° |
| CAY | CBD | CBC | H5 | 179.7° | 179.7° |
| CBD | CAY | NAW | H7 | 65.5° | 155.2° |
| CBB | CBC | CBD | H5 | 180.0° | 180.0° |
| CBB | CBC | CBD | H6 | 179.7° | 180.0° |
| CBD | CBC | CBB | H4 | 179.4° | 180.0° |
| H1 | CBE | H2 | H3 | 120.0° | 120.0° |
| H4 | CBB | CBC | H5 | 0.6° | 0.0° |
| H5 | CBC | CBD | H6 | 0.3° | 0.0° |
| H8 | CAU | CAT | H10 | 122.9° | 180.0° |
| H8 | CAU | CAT | H11 | 0.1° | 60.0° |
| H9 | CAU | CAT | H10 | 117.0° | 60.0° |
| H9 | CAU | CAT | H11 | 120.2° | 180.0° |
| H10 | CAT | CAS | H12 | 168.4° | 180.0° |
| H10 | CAT | CAS | H13 | 72.4° | 60.0° |
| H11 | CAT | CAS | H12 | 45.6° | 60.0° |
| H11 | CAT | CAS | H13 | 164.8° | 180.0° |
| H14 | CAL | H15 | H16 | 120.0° | 120.0° |
| H17 | CAK | H18 | H19 | 120.0° | 120.0° |
| H20 | CAN | CAO | H21 | 0.5° | 0.1° |
| H21 | CAO | CAP | H22 | 0.4° | 0.1° |
| H22 | CAP | CAQ | H23 | 0.5° | 0.0° |
| H23 | CAQ | CAR | H24 | 0.3° | 0.3° |
