HAK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | NAZ | doub | 1.32Å | 1.37Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| NAZ | CBA | sing | 1.32Å | 1.38Å | Aromatic |
| CBA | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| CAX | CAW | doub | 1.40Å | 1.40Å | Aromatic |
| CAV | CAW | sing | 1.41Å | 1.41Å | Aromatic |
| CAV | NAQ | sing | 1.39Å | 1.34Å | |
| CAW | CBB | sing | 1.48Å | 1.42Å | |
| NAQ | CAA | sing | 1.40Å | 1.35Å | |
| NBC | CBB | sing | 1.35Å | 1.34Å | |
| NBC | CBE | sing | 1.40Å | 1.33Å | |
| CBB | OBD | doub | 1.22Å | 1.22Å | |
| CAF | CAA | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | CAE | sing | 1.40Å | 1.40Å | Aromatic |
| NAM | CAE | doub | 1.34Å | 1.33Å | Aromatic |
| NAM | CAN | sing | 1.31Å | 1.40Å | Aromatic |
| CAA | CAB | sing | 1.40Å | 1.41Å | Aromatic |
| CAE | CAD | sing | 1.42Å | 1.42Å | Aromatic |
| CAN | CAO | doub | 1.40Å | 1.39Å | Aromatic |
| CAB | CAC | doub | 1.38Å | 1.41Å | Aromatic |
| CBE | CBF | doub | 1.39Å | 1.40Å | Aromatic |
| CBE | CBJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.42Å | 1.41Å | Aromatic |
| CAD | NAP | doub | 1.33Å | 1.36Å | Aromatic |
| CAO | NAP | sing | 1.31Å | 1.39Å | Aromatic |
| CAC | CAG | sing | 1.48Å | 1.41Å | |
| CAL | CAG | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | CAK | sing | 1.36Å | 1.39Å | Aromatic |
| CBF | NBG | sing | 1.32Å | 1.38Å | Aromatic |
| CBJ | NBI | doub | 1.32Å | 1.40Å | Aromatic |
| CAG | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | CAJ | doub | 1.40Å | 1.33Å | Aromatic |
| NBG | CBH | doub | 1.32Å | 1.40Å | Aromatic |
| NBI | CBH | sing | 1.32Å | 1.40Å | Aromatic |
| CAH | CAI | doub | 1.39Å | 1.35Å | Aromatic |
| CAJ | CAI | sing | 1.41Å | 1.35Å | Aromatic |
| CAJ | CAR | sing | 1.46Å | 1.33Å | Aromatic |
| CAI | NAT | sing | 1.38Å | 1.33Å | Aromatic |
| CAR | CAS | doub | 1.34Å | 1.34Å | Aromatic |
| NAT | CAS | sing | 1.37Å | 1.33Å | Aromatic |
| NAT | CAU | sing | 1.47Å | 1.46Å | |
| CAH | H1 | sing | 1.08Å | 1.08Å | |
| CAU | H2 | sing | 1.09Å | 1.10Å | |
| CAU | H3 | sing | 1.09Å | 1.10Å | |
| CAU | H4 | sing | 1.09Å | 1.10Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| CAR | H6 | sing | 1.08Å | 1.08Å | |
| CAK | H7 | sing | 1.08Å | 1.08Å | |
| CAL | H8 | sing | 1.08Å | 1.08Å | |
| CAB | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.08Å | 1.08Å | |
| CAN | H11 | sing | 1.08Å | 1.08Å | |
| CAF | H12 | sing | 1.08Å | 1.08Å | |
| NAQ | H13 | sing | 0.97Å | 1.00Å | |
| CBA | H14 | sing | 1.08Å | 1.08Å | |
| CAY | H15 | sing | 1.08Å | 1.08Å | |
| CAX | H16 | sing | 1.08Å | 1.08Å | |
| NBC | H17 | sing | 0.97Å | 1.00Å | |
| CBF | H18 | sing | 1.08Å | 1.08Å | |
| CBH | H19 | sing | 1.08Å | 1.08Å | |
| CBJ | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAZ | CAY | CAX | 119.9° | 121.1° |
| CAY | NAZ | CBA | 118.7° | 122.2° |
| NAZ | CAY | H15 | 120.0° | 119.5° |
| CAY | CAX | CAW | 123.2° | 119.1° |
| CAX | CAY | H15 | 120.1° | 119.4° |
| CAY | CAX | H16 | 118.4° | 120.4° |
| NAZ | CBA | CAV | 121.8° | 120.7° |
| NAZ | CBA | H14 | 119.1° | 119.6° |
| CBA | CAV | CAW | 120.4° | 118.8° |
| CBA | CAV | NAQ | 121.7° | 120.6° |
| CAV | CBA | H14 | 119.1° | 119.6° |
| CAX | CAW | CAV | 116.0° | 118.0° |
| CAX | CAW | CBB | 120.0° | 121.0° |
| CAW | CAX | H16 | 118.4° | 120.5° |
| CAW | CAV | NAQ | 117.8° | 120.6° |
| CAV | CAW | CBB | 124.0° | 121.0° |
| CAV | NAQ | CAA | 125.2° | 120.0° |
| CAV | NAQ | H13 | 117.4° | 120.0° |
| CAW | CBB | NBC | 117.7° | 119.9° |
| CAW | CBB | OBD | 120.6° | 120.0° |
| NAQ | CAA | CAF | 125.9° | 119.6° |
| NAQ | CAA | CAB | 115.7° | 119.6° |
| CAA | NAQ | H13 | 117.4° | 120.0° |
| CBB | NBC | CBE | 122.5° | 120.0° |
| NBC | CBB | OBD | 121.7° | 120.0° |
| CBB | NBC | H17 | 118.8° | 120.0° |
| NBC | CBE | CBF | 116.1° | 120.9° |
| NBC | CBE | CBJ | 124.0° | 120.9° |
| CBE | NBC | H17 | 118.8° | 120.0° |
| CAA | CAF | CAE | 118.9° | 120.0° |
| CAF | CAA | CAB | 118.2° | 120.8° |
| CAA | CAF | H12 | 120.5° | 120.0° |
| CAF | CAE | NAM | 118.2° | 120.9° |
| CAF | CAE | CAD | 122.7° | 119.6° |
| CAE | CAF | H12 | 120.6° | 120.0° |
| CAE | NAM | CAN | 120.6° | 119.7° |
| NAM | CAE | CAD | 119.1° | 119.5° |
| NAM | CAN | CAO | 120.2° | 120.7° |
| NAM | CAN | H11 | 119.9° | 119.7° |
| CAA | CAB | CAC | 123.7° | 120.6° |
| CAA | CAB | H9 | 118.2° | 119.7° |
| CAE | CAD | CAC | 118.6° | 119.4° |
| CAE | CAD | NAP | 121.5° | 119.6° |
| CAN | CAO | NAP | 119.2° | 120.6° |
| CAN | CAO | H10 | 120.4° | 119.6° |
| CAO | CAN | H11 | 119.9° | 119.6° |
| CAB | CAC | CAD | 117.9° | 119.6° |
| CAB | CAC | CAG | 117.9° | 120.2° |
| CAC | CAB | H9 | 118.2° | 119.7° |
| CBF | CBE | CBJ | 119.8° | 118.3° |
| CBE | CBF | NBG | 120.7° | 119.0° |
| CBE | CBF | H18 | 119.7° | 120.5° |
| CBE | CBJ | NBI | 120.3° | 119.0° |
| CBE | CBJ | H20 | 119.9° | 120.5° |
| CAC | CAD | NAP | 120.0° | 121.0° |
| CAD | CAC | CAG | 124.2° | 120.2° |
| CAD | NAP | CAO | 119.3° | 119.8° |
| NAP | CAO | H10 | 120.4° | 119.7° |
| CAC | CAG | CAL | 120.2° | 119.8° |
| CAC | CAG | CAH | 122.8° | 119.9° |
| CAG | CAL | CAK | 119.8° | 120.4° |
| CAL | CAG | CAH | 117.0° | 120.3° |
| CAG | CAL | H8 | 120.1° | 119.7° |
| CAL | CAK | CAJ | 120.7° | 119.9° |
| CAL | CAK | H7 | 119.7° | 120.0° |
| CAK | CAL | H8 | 120.1° | 119.8° |
| CBF | NBG | CBH | 119.4° | 120.9° |
| NBG | CBF | H18 | 119.6° | 120.5° |
| CBJ | NBI | CBH | 118.8° | 120.9° |
| NBI | CBJ | H20 | 119.9° | 120.5° |
| CAG | CAH | CAI | 120.9° | 119.7° |
| CAG | CAH | H1 | 119.5° | 120.1° |
| CAK | CAJ | CAI | 120.4° | 120.1° |
| CAK | CAJ | CAR | 130.8° | 133.9° |
| CAJ | CAK | H7 | 119.6° | 120.0° |
| NBG | CBH | NBI | 121.0° | 122.0° |
| NBG | CBH | H19 | 119.5° | 119.0° |
| NBI | CBH | H19 | 119.5° | 119.0° |
| CAH | CAI | CAJ | 121.1° | 119.5° |
| CAH | CAI | NAT | 131.6° | 133.4° |
| CAI | CAH | H1 | 119.6° | 120.2° |
| CAI | CAJ | CAR | 108.8° | 106.0° |
| CAJ | CAI | NAT | 107.3° | 107.1° |
| CAJ | CAR | CAS | 106.8° | 107.1° |
| CAJ | CAR | H6 | 126.6° | 126.4° |
| CAI | NAT | CAS | 108.0° | 109.9° |
| CAI | NAT | CAU | 126.1° | 125.1° |
| CAR | CAS | NAT | 109.2° | 109.9° |
| CAR | CAS | H5 | 125.4° | 125.0° |
| CAS | CAR | H6 | 126.6° | 126.5° |
| CAS | NAT | CAU | 125.9° | 125.0° |
| NAT | CAS | H5 | 125.4° | 125.1° |
| NAT | CAU | H2 | 109.5° | 109.4° |
| NAT | CAU | H3 | 109.5° | 109.5° |
| NAT | CAU | H4 | 109.5° | 109.5° |
| H2 | CAU | H3 | 109.5° | 109.5° |
| H2 | CAU | H4 | 109.5° | 109.5° |
| H3 | CAU | H4 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAZ | CAY | CAX | H15 | 180.0° | 179.9° |
| CAY | NAZ | CBA | CAV | 2.5° | 0.1° |
| NAZ | CAY | CAX | CAW | 0.5° | 0.0° |
| CAY | NAZ | CBA | H14 | 177.6° | 180.0° |
| NAZ | CAY | CAX | H16 | 179.5° | 179.9° |
| CAX | CAY | NAZ | CBA | 1.8° | 0.1° |
| CAY | CAX | CAW | H16 | 180.0° | 179.9° |
| CAY | CAX | CAW | CAV | 0.1° | 0.0° |
| CAY | CAX | CAW | CBB | 179.4° | 179.7° |
| NAZ | CBA | CAV | H14 | 180.0° | 179.9° |
| NAZ | CBA | CAV | CAW | 1.8° | 0.0° |
| NAZ | CBA | CAV | NAQ | 178.7° | 179.7° |
| CBA | NAZ | CAY | H15 | 178.2° | 180.0° |
| CBA | CAV | CAW | CAX | 0.5° | 0.0° |
| CBA | CAV | CAW | NAQ | 177.0° | 179.7° |
| CBA | CAV | CAW | CBB | 178.7° | 179.7° |
| CBA | CAV | NAQ | CAA | 19.7° | 103.1° |
| CBA | CAV | NAQ | H13 | 160.2° | 76.9° |
| CAX | CAW | CAV | CBB | 179.2° | 179.7° |
| CAX | CAW | CAV | NAQ | 177.5° | 179.7° |
| CAX | CAW | CBB | NBC | 12.7° | 5.8° |
| CAX | CAW | CBB | OBD | 166.4° | 174.3° |
| CAW | CAX | CAY | H15 | 179.5° | 180.0° |
| CAW | CAV | NAQ | CAA | 163.3° | 76.5° |
| CAV | CAW | CBB | NBC | 168.1° | 174.0° |
| CAV | CAW | CBB | OBD | 12.8° | 6.0° |
| CAW | CAV | NAQ | H13 | 16.7° | 103.4° |
| CAW | CAV | CBA | H14 | 178.2° | 179.9° |
| CAV | CAW | CAX | H16 | 179.9° | 179.9° |
| NAQ | CAV | CAW | CBB | 1.7° | 0.0° |
| CAV | NAQ | CAA | H13 | 180.0° | 180.0° |
| CAV | NAQ | CAA | CAF | 40.2° | 4.3° |
| CAV | NAQ | CAA | CAB | 145.4° | 175.9° |
| NAQ | CAV | CBA | H14 | 1.3° | 0.4° |
| CAW | CBB | NBC | OBD | 179.1° | 180.0° |
| CAW | CBB | NBC | CBE | 177.6° | 176.0° |
| CBB | CAW | CAX | H16 | 0.7° | 0.4° |
| CAW | CBB | NBC | H17 | 2.4° | 4.1° |
| NAQ | CAA | CAF | CAB | 174.2° | 179.8° |
| NAQ | CAA | CAF | CAE | 176.3° | 179.9° |
| NAQ | CAA | CAB | CAC | 175.8° | 179.7° |
| NAQ | CAA | CAB | H9 | 4.2° | 0.2° |
| NAQ | CAA | CAF | H12 | 3.7° | 0.3° |
| CBB | NBC | CBE | H17 | 180.0° | 179.9° |
| CBB | NBC | CBE | CBF | 133.0° | 34.7° |
| CBB | NBC | CBE | CBJ | 49.5° | 145.6° |
| CBE | NBC | CBB | OBD | 3.3° | 4.0° |
| NBC | CBE | CBF | CBJ | 177.6° | 179.7° |
| NBC | CBE | CBF | NBG | 178.0° | 180.0° |
| NBC | CBE | CBJ | NBI | 179.7° | 179.7° |
| NBC | CBE | CBF | H18 | 2.0° | 0.0° |
| NBC | CBE | CBJ | H20 | 0.3° | 0.1° |
| OBD | CBB | NBC | H17 | 176.6° | 176.0° |
| CAA | CAF | CAE | H12 | 180.0° | 179.7° |
| CAA | CAF | CAE | NAM | 177.2° | 179.8° |
| CAA | CAF | CAE | CAD | 1.8° | 0.3° |
| CAF | CAA | CAB | CAC | 1.0° | 0.1° |
| CAF | CAA | CAB | H9 | 179.1° | 180.0° |
| CAF | CAA | NAQ | H13 | 139.8° | 175.7° |
| CAF | CAE | NAM | CAD | 179.0° | 179.9° |
| CAF | CAE | NAM | CAN | 179.8° | 180.0° |
| CAE | CAF | CAA | CAB | 2.0° | 0.3° |
| CAF | CAE | CAD | CAC | 0.3° | 0.0° |
| CAF | CAE | CAD | NAP | 179.7° | 179.9° |
| CAE | NAM | CAN | CAO | 0.7° | 0.1° |
| NAM | CAE | CAD | CAC | 178.6° | 179.9° |
| NAM | CAE | CAD | NAP | 0.7° | 0.0° |
| CAE | NAM | CAN | H11 | 179.4° | 179.9° |
| NAM | CAE | CAF | H12 | 2.8° | 0.1° |
| CAN | NAM | CAE | CAD | 1.3° | 0.0° |
| NAM | CAN | CAO | H11 | 180.0° | 180.0° |
| NAM | CAN | CAO | NAP | 0.5° | 0.0° |
| NAM | CAN | CAO | H10 | 179.5° | 180.0° |
| CAA | CAB | CAC | H9 | 180.0° | 179.9° |
| CAA | CAB | CAC | CAD | 0.5° | 0.4° |
| CAA | CAB | CAC | CAG | 179.1° | 180.0° |
| CAB | CAA | CAF | H12 | 178.0° | 179.9° |
| CAB | CAA | NAQ | H13 | 34.5° | 4.1° |
| CAE | CAD | CAC | CAB | 0.8° | 0.4° |
| CAE | CAD | CAC | NAP | 179.4° | 179.9° |
| CAE | CAD | NAP | CAO | 0.4° | 0.1° |
| CAE | CAD | CAC | CAG | 179.3° | 180.0° |
| CAD | CAE | CAF | H12 | 178.2° | 180.0° |
| CAN | CAO | NAP | CAD | 1.0° | 0.1° |
| CAN | CAO | NAP | H10 | 180.0° | 180.0° |
| CAB | CAC | CAD | CAG | 178.5° | 179.6° |
| CAB | CAC | CAD | NAP | 178.6° | 179.8° |
| CAB | CAC | CAG | CAL | 121.3° | 130.0° |
| CAB | CAC | CAG | CAH | 57.7° | 50.4° |
| CBE | CBF | NBG | H18 | 180.0° | 180.0° |
| CBF | CBE | CBJ | NBI | 2.2° | 0.5° |
| CBE | CBF | NBG | CBH | 2.0° | 0.0° |
| CBF | CBE | NBC | H17 | 47.1° | 145.2° |
| CBF | CBE | CBJ | H20 | 177.7° | 179.7° |
| CBJ | CBE | CBF | NBG | 0.4° | 0.3° |
| CBE | CBJ | NBI | H20 | 180.0° | 179.8° |
| CBE | CBJ | NBI | CBH | 1.7° | 0.5° |
| CBJ | CBE | NBC | H17 | 130.5° | 34.5° |
| CBJ | CBE | CBF | H18 | 179.6° | 179.7° |
| CAC | CAD | NAP | CAO | 179.7° | 180.0° |
| CAD | CAC | CAG | CAL | 57.2° | 50.3° |
| CAD | CAC | CAG | CAH | 123.8° | 129.3° |
| CAD | CAC | CAB | H9 | 179.5° | 179.7° |
| NAP | CAD | CAC | CAG | 0.1° | 0.1° |
| CAD | NAP | CAO | H10 | 179.0° | 179.9° |
| NAP | CAO | CAN | H11 | 179.5° | 180.0° |
| CAC | CAG | CAL | CAH | 179.1° | 179.6° |
| CAC | CAG | CAL | CAK | 179.1° | 180.0° |
| CAC | CAG | CAH | CAI | 178.5° | 179.9° |
| CAC | CAG | CAH | H1 | 1.5° | 0.2° |
| CAC | CAG | CAL | H8 | 0.9° | 0.3° |
| CAG | CAC | CAB | H9 | 0.9° | 0.1° |
| CAG | CAL | CAK | H8 | 180.0° | 179.7° |
| CAG | CAL | CAK | CAJ | 1.5° | 0.1° |
| CAL | CAG | CAH | CAI | 0.6° | 0.4° |
| CAL | CAG | CAH | H1 | 179.5° | 179.8° |
| CAG | CAL | CAK | H7 | 178.5° | 179.8° |
| CAK | CAL | CAG | CAH | 0.0° | 0.4° |
| CAL | CAK | CAJ | H7 | 180.0° | 180.0° |
| CAL | CAK | CAJ | CAI | 2.5° | 0.0° |
| CAL | CAK | CAJ | CAR | 179.5° | 179.9° |
| CBF | NBG | CBH | NBI | 2.5° | 0.0° |
| CBF | NBG | CBH | H19 | 177.5° | 179.9° |
| CBJ | NBI | CBH | NBG | 0.7° | 0.2° |
| CBJ | NBI | CBH | H19 | 179.3° | 179.7° |
| CAG | CAH | CAI | H1 | 180.0° | 179.7° |
| CAG | CAH | CAI | CAJ | 0.4° | 0.3° |
| CAG | CAH | CAI | NAT | 178.7° | 179.7° |
| CAH | CAG | CAL | H8 | 180.0° | 179.9° |
| CAK | CAJ | CAI | CAH | 1.9° | 0.1° |
| CAK | CAJ | CAI | CAR | 178.4° | 179.9° |
| CAK | CAJ | CAI | NAT | 179.4° | 179.9° |
| CAK | CAJ | CAR | CAS | 179.3° | 180.0° |
| CAK | CAJ | CAR | H6 | 0.7° | 0.1° |
| CAJ | CAK | CAL | H8 | 178.5° | 179.8° |
| NBG | CBH | NBI | H19 | 180.0° | 179.9° |
| CBH | NBG | CBF | H18 | 178.0° | 180.0° |
| CBH | NBI | CBJ | H20 | 178.3° | 179.7° |
| CAH | CAI | CAJ | NAT | 178.7° | 180.0° |
| CAH | CAI | CAJ | CAR | 179.7° | 180.0° |
| CAH | CAI | NAT | CAS | 179.0° | 179.9° |
| CAH | CAI | NAT | CAU | 0.2° | 0.0° |
| CAI | CAJ | CAR | CAS | 1.1° | 0.1° |
| CAJ | CAI | NAT | CAS | 0.4° | 0.1° |
| CAJ | CAI | NAT | CAU | 178.7° | 180.0° |
| CAJ | CAI | CAH | H1 | 179.6° | 180.0° |
| CAI | CAJ | CAR | H6 | 178.9° | 180.0° |
| CAI | CAJ | CAK | H7 | 177.5° | 180.0° |
| CAR | CAJ | CAI | NAT | 0.9° | 0.0° |
| CAJ | CAR | CAS | H6 | 180.0° | 179.9° |
| CAJ | CAR | CAS | NAT | 0.8° | 0.1° |
| CAJ | CAR | CAS | H5 | 179.2° | 180.0° |
| CAR | CAJ | CAK | H7 | 0.5° | 0.1° |
| CAI | NAT | CAS | CAR | 0.2° | 0.1° |
| CAI | NAT | CAS | CAU | 179.1° | 179.9° |
| NAT | CAI | CAH | H1 | 1.3° | 0.0° |
| CAI | NAT | CAU | H2 | 180.0° | 90.0° |
| CAI | NAT | CAU | H3 | 60.0° | 150.0° |
| CAI | NAT | CAU | H4 | 60.0° | 30.0° |
| CAI | NAT | CAS | H5 | 179.8° | 180.0° |
| CAR | CAS | NAT | H5 | 180.0° | 179.9° |
| CAR | CAS | NAT | CAU | 179.4° | 180.0° |
| CAS | NAT | CAU | H2 | 1.0° | 90.1° |
| CAS | NAT | CAU | H3 | 119.0° | 29.9° |
| CAS | NAT | CAU | H4 | 121.0° | 149.9° |
| NAT | CAS | CAR | H6 | 179.2° | 180.0° |
| NAT | CAU | H2 | H3 | 120.0° | 120.0° |
| NAT | CAU | H2 | H4 | 120.0° | 120.0° |
| NAT | CAU | H3 | H4 | 120.0° | 120.0° |
| CAU | NAT | CAS | H5 | 0.6° | 0.1° |
| H2 | CAU | H3 | H4 | 120.0° | 120.0° |
| H5 | CAS | CAR | H6 | 0.8° | 0.1° |
| H7 | CAK | CAL | H8 | 1.5° | 0.1° |
| H10 | CAO | CAN | H11 | 0.5° | 0.0° |
| H15 | CAY | CAX | H16 | 0.6° | 0.0° |
