5VK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAL | sing | 1.53Å | 1.50Å | |
| CAL | OAO | sing | 1.45Å | 1.44Å | |
| CAG | CAE | doub | 1.38Å | 1.35Å | Aromatic |
| CAG | CAR | sing | 1.39Å | 1.42Å | Aromatic |
| OAO | CAP | sing | 1.34Å | 1.41Å | |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| OAC | CAR | sing | 1.36Å | 1.40Å | |
| CAR | CAT | doub | 1.40Å | 1.40Å | Aromatic |
| OAB | CAP | doub | 1.21Å | 1.21Å | |
| CAF | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAP | CAM | sing | 1.51Å | 1.57Å | |
| CAT | CAH | sing | 1.39Å | 1.36Å | Aromatic |
| CAT | CAU | sing | 1.48Å | 1.50Å | |
| CAU | CAJ | doub | 1.39Å | 1.41Å | Aromatic |
| CAU | CAS | sing | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.37Å | Aromatic |
| OAD | CAS | sing | 1.36Å | 1.41Å | |
| CAS | CAK | doub | 1.39Å | 1.41Å | Aromatic |
| CAI | CAQ | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAK | CAQ | sing | 1.38Å | 1.38Å | Aromatic |
| CAQ | CAN | sing | 1.51Å | 1.59Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| OAD | H11 | sing | 0.97Å | 0.95Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAH | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| CAE | H16 | sing | 1.08Å | 1.08Å | |
| CAG | H17 | sing | 1.08Å | 1.08Å | |
| OAC | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAL | OAO | 108.6° | 109.5° |
| CAL | CAA | H1 | 109.5° | 109.5° |
| CAL | CAA | H2 | 109.5° | 109.4° |
| CAL | CAA | H3 | 109.5° | 109.5° |
| CAA | CAL | H4 | 109.7° | 109.5° |
| CAA | CAL | H5 | 109.7° | 109.5° |
| CAL | OAO | CAP | 115.3° | 117.0° |
| OAO | CAL | H4 | 109.7° | 109.5° |
| OAO | CAL | H5 | 109.7° | 109.4° |
| CAE | CAG | CAR | 120.2° | 120.1° |
| CAG | CAE | CAF | 119.3° | 120.3° |
| CAG | CAE | H16 | 120.4° | 119.8° |
| CAE | CAG | H17 | 119.9° | 120.0° |
| CAG | CAR | OAC | 117.2° | 120.1° |
| CAG | CAR | CAT | 120.6° | 119.7° |
| CAR | CAG | H17 | 119.9° | 119.9° |
| OAO | CAP | OAB | 120.6° | 120.0° |
| OAO | CAP | CAM | 118.3° | 120.0° |
| CAE | CAF | CAH | 120.9° | 120.2° |
| CAE | CAF | H15 | 119.5° | 119.9° |
| CAF | CAE | H16 | 120.3° | 119.9° |
| OAC | CAR | CAT | 122.2° | 120.1° |
| CAR | OAC | H18 | 109.5° | 114.0° |
| CAR | CAT | CAH | 118.6° | 119.7° |
| CAR | CAT | CAU | 126.2° | 120.2° |
| OAB | CAP | CAM | 119.4° | 120.0° |
| CAF | CAH | CAT | 120.3° | 119.9° |
| CAF | CAH | H14 | 119.9° | 120.1° |
| CAH | CAF | H15 | 119.5° | 119.9° |
| CAP | CAM | CAN | 110.7° | 109.5° |
| CAP | CAM | H6 | 109.2° | 109.5° |
| CAP | CAM | H7 | 109.2° | 109.4° |
| CAH | CAT | CAU | 115.2° | 120.1° |
| CAT | CAH | H14 | 119.8° | 120.0° |
| CAT | CAU | CAJ | 117.0° | 120.2° |
| CAT | CAU | CAS | 124.3° | 120.1° |
| CAJ | CAU | CAS | 118.7° | 119.7° |
| CAU | CAJ | CAI | 121.1° | 120.0° |
| CAU | CAJ | H13 | 119.5° | 120.0° |
| CAU | CAS | OAD | 120.8° | 120.1° |
| CAU | CAS | CAK | 120.1° | 119.8° |
| CAJ | CAI | CAQ | 120.3° | 120.2° |
| CAJ | CAI | H12 | 119.8° | 119.9° |
| CAI | CAJ | H13 | 119.4° | 120.1° |
| OAD | CAS | CAK | 119.1° | 120.1° |
| CAS | OAD | H11 | 109.5° | 114.0° |
| CAS | CAK | CAQ | 120.4° | 120.0° |
| CAS | CAK | H10 | 119.8° | 120.0° |
| CAI | CAQ | CAK | 119.4° | 120.3° |
| CAI | CAQ | CAN | 120.2° | 119.9° |
| CAQ | CAI | H12 | 119.9° | 119.9° |
| CAM | CAN | CAQ | 112.9° | 109.5° |
| CAN | CAM | H6 | 109.1° | 109.5° |
| CAN | CAM | H7 | 109.2° | 109.5° |
| CAM | CAN | H8 | 108.6° | 109.4° |
| CAM | CAN | H9 | 108.6° | 109.4° |
| CAK | CAQ | CAN | 120.4° | 119.8° |
| CAQ | CAK | H10 | 119.8° | 120.0° |
| CAQ | CAN | H8 | 108.6° | 109.5° |
| CAQ | CAN | H9 | 108.6° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAL | H5 | 109.5° | 109.5° |
| H6 | CAM | H7 | 109.5° | 109.5° |
| H8 | CAN | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAL | OAO | H4 | 119.9° | 120.0° |
| CAA | CAL | OAO | H5 | 119.9° | 120.0° |
| CAA | CAL | OAO | CAP | 87.6° | 179.9° |
| CAL | CAA | H1 | H2 | 120.1° | 119.9° |
| CAL | CAA | H1 | H3 | 120.0° | 120.0° |
| CAL | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAL | H4 | H5 | 120.4° | 120.0° |
| CAL | OAO | CAP | OAB | 0.1° | 0.1° |
| CAL | OAO | CAP | CAM | 164.8° | 180.0° |
| OAO | CAL | CAA | H1 | 180.0° | 60.0° |
| OAO | CAL | CAA | H2 | 60.0° | 60.0° |
| OAO | CAL | CAA | H3 | 60.0° | 180.0° |
| OAO | CAL | H4 | H5 | 120.4° | 120.0° |
| CAE | CAG | CAR | H17 | 180.0° | 179.7° |
| CAG | CAE | CAF | H16 | 180.0° | 179.9° |
| CAE | CAG | CAR | OAC | 179.7° | 180.0° |
| CAE | CAG | CAR | CAT | 0.4° | 0.6° |
| CAG | CAE | CAF | CAH | 0.5° | 0.0° |
| CAG | CAE | CAF | H15 | 179.5° | 179.9° |
| CAR | CAG | CAE | CAF | 0.4° | 0.3° |
| CAG | CAR | OAC | CAT | 179.9° | 179.5° |
| CAG | CAR | CAT | CAH | 0.6° | 0.5° |
| CAG | CAR | CAT | CAU | 179.0° | 179.8° |
| CAR | CAG | CAE | H16 | 179.6° | 179.8° |
| CAG | CAR | OAC | H18 | 180.0° | 90.0° |
| OAO | CAP | OAB | CAM | 164.6° | 179.9° |
| OAO | CAP | CAM | CAN | 101.1° | 180.0° |
| CAP | OAO | CAL | H4 | 152.6° | 60.0° |
| CAP | OAO | CAL | H5 | 32.3° | 60.0° |
| OAO | CAP | CAM | H6 | 19.0° | 60.0° |
| OAO | CAP | CAM | H7 | 138.7° | 60.0° |
| CAE | CAF | CAH | H15 | 180.0° | 180.0° |
| CAE | CAF | CAH | CAT | 0.6° | 0.0° |
| CAE | CAF | CAH | H14 | 179.4° | 180.0° |
| CAF | CAE | CAG | H17 | 179.6° | 179.9° |
| OAC | CAR | CAT | CAH | 179.6° | 180.0° |
| OAC | CAR | CAT | CAU | 1.1° | 0.3° |
| OAC | CAR | CAG | H17 | 0.3° | 0.2° |
| CAR | CAT | CAH | CAF | 0.6° | 0.2° |
| CAR | CAT | CAH | CAU | 178.6° | 179.7° |
| CAR | CAT | CAU | CAJ | 153.5° | 115.3° |
| CAR | CAT | CAU | CAS | 29.6° | 64.5° |
| CAR | CAT | CAH | H14 | 179.3° | 179.8° |
| CAT | CAR | CAG | H17 | 179.5° | 179.7° |
| CAT | CAR | OAC | H18 | 0.1° | 90.5° |
| OAB | CAP | CAM | CAN | 63.8° | 0.0° |
| OAB | CAP | CAM | H6 | 176.0° | 120.0° |
| OAB | CAP | CAM | H7 | 56.4° | 120.0° |
| CAF | CAH | CAT | H14 | 180.0° | 180.0° |
| CAF | CAH | CAT | CAU | 179.3° | 180.0° |
| CAH | CAF | CAE | H16 | 179.5° | 179.9° |
| CAP | CAM | CAN | H6 | 120.2° | 120.0° |
| CAP | CAM | CAN | H7 | 120.2° | 120.0° |
| CAP | CAM | CAN | CAQ | 63.4° | 180.0° |
| CAP | CAM | H6 | H7 | 119.5° | 120.0° |
| CAP | CAM | CAN | H8 | 176.1° | 60.0° |
| CAP | CAM | CAN | H9 | 57.1° | 60.0° |
| CAH | CAT | CAU | CAJ | 28.0° | 65.0° |
| CAH | CAT | CAU | CAS | 148.9° | 115.2° |
| CAT | CAH | CAF | H15 | 179.4° | 180.0° |
| CAT | CAU | CAJ | CAS | 177.1° | 179.8° |
| CAT | CAU | CAJ | CAI | 178.3° | 180.0° |
| CAT | CAU | CAS | OAD | 2.9° | 0.0° |
| CAT | CAU | CAS | CAK | 178.5° | 180.0° |
| CAT | CAU | CAJ | H13 | 1.7° | 0.0° |
| CAU | CAT | CAH | H14 | 0.7° | 0.0° |
| CAU | CAJ | CAI | H13 | 180.0° | 180.0° |
| CAJ | CAU | CAS | OAD | 179.8° | 179.7° |
| CAJ | CAU | CAS | CAK | 1.6° | 0.2° |
| CAU | CAJ | CAI | CAQ | 0.5° | 0.0° |
| CAU | CAJ | CAI | H12 | 179.6° | 180.0° |
| CAS | CAU | CAJ | CAI | 1.2° | 0.2° |
| CAU | CAS | OAD | CAK | 178.6° | 179.9° |
| CAU | CAS | CAK | CAQ | 1.3° | 0.1° |
| CAU | CAS | CAK | H10 | 178.7° | 180.0° |
| CAU | CAS | OAD | H11 | 180.0° | 90.0° |
| CAS | CAU | CAJ | H13 | 178.8° | 179.7° |
| CAJ | CAI | CAQ | H12 | 180.0° | 180.0° |
| CAJ | CAI | CAQ | CAK | 0.1° | 0.3° |
| CAJ | CAI | CAQ | CAN | 180.0° | 180.0° |
| OAD | CAS | CAK | CAQ | 179.9° | 180.0° |
| OAD | CAS | CAK | H10 | 0.1° | 0.1° |
| CAS | CAK | CAQ | CAI | 0.6° | 0.3° |
| CAS | CAK | CAQ | H10 | 180.0° | 179.9° |
| CAS | CAK | CAQ | CAN | 179.6° | 180.0° |
| CAK | CAS | OAD | H11 | 1.4° | 89.9° |
| CAI | CAQ | CAN | CAM | 122.9° | 90.3° |
| CAI | CAQ | CAK | CAN | 179.8° | 179.7° |
| CAI | CAQ | CAN | H8 | 116.6° | 149.8° |
| CAI | CAQ | CAN | H9 | 2.4° | 29.7° |
| CAI | CAQ | CAK | H10 | 179.4° | 179.8° |
| CAQ | CAI | CAJ | H13 | 179.5° | 180.0° |
| CAM | CAN | CAQ | CAK | 56.9° | 90.0° |
| CAM | CAN | CAQ | H8 | 120.5° | 120.0° |
| CAM | CAN | CAQ | H9 | 120.5° | 120.0° |
| CAN | CAM | H6 | H7 | 119.4° | 120.0° |
| CAM | CAN | H8 | H9 | 118.5° | 120.0° |
| CAK | CAQ | CAN | H8 | 63.6° | 29.9° |
| CAK | CAQ | CAN | H9 | 177.4° | 150.0° |
| CAK | CAQ | CAI | H12 | 179.9° | 179.7° |
| CAQ | CAN | CAM | H6 | 56.8° | 60.0° |
| CAQ | CAN | CAM | H7 | 176.4° | 60.0° |
| CAQ | CAN | H8 | H9 | 118.5° | 120.1° |
| CAN | CAQ | CAK | H10 | 0.4° | 0.1° |
| CAN | CAQ | CAI | H12 | 0.0° | 0.0° |
| H1 | CAA | H2 | H3 | 119.9° | 120.1° |
| H1 | CAA | CAL | H4 | 60.2° | 60.0° |
| H1 | CAA | CAL | H5 | 60.1° | 180.0° |
| H2 | CAA | CAL | H4 | 59.9° | 180.0° |
| H2 | CAA | CAL | H5 | 179.8° | 60.0° |
| H3 | CAA | CAL | H4 | 179.9° | 60.0° |
| H3 | CAA | CAL | H5 | 59.8° | 60.0° |
| H6 | CAM | CAN | H8 | 63.7° | 180.0° |
| H6 | CAM | CAN | H9 | 177.3° | 60.0° |
| H7 | CAM | CAN | H8 | 55.9° | 60.0° |
| H7 | CAM | CAN | H9 | 63.1° | 180.0° |
| H12 | CAI | CAJ | H13 | 0.5° | 0.0° |
| H14 | CAH | CAF | H15 | 0.6° | 0.0° |
| H15 | CAF | CAE | H16 | 0.5° | 0.0° |
| H16 | CAE | CAG | H17 | 0.4° | 0.0° |
