A1IXO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAB | sing | 1.38Å | 1.33Å | |
| SAV | CAB | sing | 1.76Å | 1.61Å | Aromatic |
| SAV | CAC | sing | 1.76Å | 1.65Å | Aromatic |
| CAB | NAE | doub | 1.29Å | 1.33Å | Aromatic |
| CAC | CAF | doub | 1.39Å | 1.33Å | Aromatic |
| CAC | CAD | sing | 1.40Å | 1.35Å | Aromatic |
| NAE | CAD | sing | 1.34Å | 1.34Å | Aromatic |
| CAF | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAD | CAI | doub | 1.41Å | 1.33Å | Aromatic |
| NAL | CAM | sing | 1.46Å | 1.47Å | |
| NAL | CAJ | sing | 1.35Å | 1.34Å | |
| CAG | CAJ | sing | 1.47Å | 1.39Å | |
| CAG | CAH | doub | 1.40Å | 1.38Å | Aromatic |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAJ | OAK | doub | 1.22Å | 1.23Å | |
| CAI | CAH | sing | 1.36Å | 1.38Å | Aromatic |
| CLAU | CAQ | sing | 1.74Å | 1.73Å | |
| CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAO | sing | 1.51Å | 1.39Å | |
| CAQ | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAT | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CLAW | sing | 1.74Å | 1.72Å | |
| CAR | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| NAA | H2 | sing | 0.97Å | 1.00Å | |
| NAA | H3 | sing | 0.97Å | 1.00Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| NAL | H6 | sing | 0.97Å | 1.00Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.08Å | 1.08Å | |
| CAS | H12 | sing | 1.08Å | 1.08Å | |
| CAT | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAB | SAV | 125.9° | 124.8° |
| NAA | CAB | NAE | 124.4° | 124.8° |
| CAB | NAA | H2 | 109.5° | 120.0° |
| CAB | NAA | H3 | 109.5° | 120.0° |
| CAB | SAV | CAC | 95.3° | 90.4° |
| SAV | CAB | NAE | 109.7° | 110.4° |
| SAV | CAC | CAF | 131.0° | 131.1° |
| SAV | CAC | CAD | 107.9° | 108.4° |
| CAB | NAE | CAD | 114.0° | 118.0° |
| CAF | CAC | CAD | 121.1° | 120.5° |
| CAC | CAF | CAG | 120.6° | 120.0° |
| CAC | CAF | H1 | 119.7° | 120.0° |
| CAC | CAD | NAE | 113.1° | 112.8° |
| CAC | CAD | CAI | 119.7° | 118.6° |
| NAE | CAD | CAI | 127.2° | 128.6° |
| CAF | CAG | CAJ | 121.1° | 120.2° |
| CAF | CAG | CAH | 118.7° | 119.6° |
| CAG | CAF | H1 | 119.7° | 120.0° |
| CAD | CAI | CAH | 122.2° | 120.8° |
| CAD | CAI | H4 | 118.9° | 119.6° |
| CAM | NAL | CAJ | 124.0° | 120.0° |
| NAL | CAM | CAN | 111.3° | 109.5° |
| CAM | NAL | H6 | 118.0° | 120.0° |
| NAL | CAM | H7 | 109.0° | 109.4° |
| NAL | CAM | H8 | 109.0° | 109.5° |
| NAL | CAJ | CAG | 114.5° | 120.0° |
| NAL | CAJ | OAK | 124.9° | 120.0° |
| CAJ | NAL | H6 | 118.0° | 120.0° |
| CAJ | CAG | CAH | 120.2° | 120.2° |
| CAG | CAJ | OAK | 120.6° | 120.0° |
| CAG | CAH | CAI | 117.6° | 120.6° |
| CAG | CAH | H5 | 121.2° | 119.7° |
| CAM | CAN | CAO | 110.9° | 109.5° |
| CAN | CAM | H7 | 109.0° | 109.5° |
| CAN | CAM | H8 | 109.0° | 109.5° |
| CAM | CAN | H9 | 109.1° | 109.4° |
| CAM | CAN | H10 | 109.1° | 109.5° |
| CAH | CAI | H4 | 118.9° | 119.6° |
| CAI | CAH | H5 | 121.2° | 119.7° |
| CLAU | CAQ | CAP | 120.8° | 120.0° |
| CLAU | CAQ | CAR | 119.1° | 120.0° |
| CAQ | CAP | CAO | 119.8° | 120.0° |
| CAP | CAQ | CAR | 120.0° | 119.9° |
| CAQ | CAP | H11 | 120.1° | 120.0° |
| CAP | CAO | CAN | 122.0° | 120.0° |
| CAP | CAO | CAT | 119.7° | 120.0° |
| CAO | CAP | H11 | 120.1° | 120.0° |
| CAN | CAO | CAT | 118.3° | 120.0° |
| CAO | CAN | H9 | 109.1° | 109.5° |
| CAO | CAN | H10 | 109.1° | 109.5° |
| CAQ | CAR | CLAW | 120.5° | 120.0° |
| CAQ | CAR | CAS | 119.9° | 120.0° |
| CAO | CAT | CAS | 120.7° | 120.0° |
| CAO | CAT | H13 | 119.6° | 119.9° |
| CLAW | CAR | CAS | 119.6° | 120.0° |
| CAR | CAS | CAT | 119.9° | 120.0° |
| CAR | CAS | H12 | 120.0° | 120.1° |
| CAT | CAS | H12 | 120.1° | 120.0° |
| CAS | CAT | H13 | 119.7° | 120.0° |
| H2 | NAA | H3 | 109.5° | 120.0° |
| H7 | CAM | H8 | 109.5° | 109.5° |
| H9 | CAN | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAB | SAV | NAE | 179.9° | 179.9° |
| NAA | CAB | SAV | CAC | 180.0° | 180.0° |
| NAA | CAB | NAE | CAD | 180.0° | 180.0° |
| CAB | NAA | H2 | H3 | 120.0° | 180.0° |
| CAB | SAV | CAC | CAF | 179.6° | 180.0° |
| CAB | SAV | CAC | CAD | 0.1° | 0.1° |
| SAV | CAB | NAE | CAD | 0.1° | 0.0° |
| SAV | CAB | NAA | H2 | 0.0° | 0.0° |
| SAV | CAB | NAA | H3 | 120.0° | 180.0° |
| CAC | SAV | CAB | NAE | 0.1° | 0.0° |
| SAV | CAC | CAF | CAD | 179.5° | 179.9° |
| SAV | CAC | CAD | NAE | 0.0° | 0.1° |
| SAV | CAC | CAF | CAG | 179.7° | 180.0° |
| SAV | CAC | CAD | CAI | 179.8° | 180.0° |
| SAV | CAC | CAF | H1 | 0.2° | 0.4° |
| CAB | NAE | CAD | CAC | 0.1° | 0.0° |
| CAB | NAE | CAD | CAI | 179.8° | 180.0° |
| NAE | CAB | NAA | H2 | 179.9° | 180.0° |
| NAE | CAB | NAA | H3 | 60.1° | 0.0° |
| CAF | CAC | CAD | NAE | 179.6° | 180.0° |
| CAC | CAF | CAG | H1 | 180.0° | 179.7° |
| CAF | CAC | CAD | CAI | 0.2° | 0.1° |
| CAC | CAF | CAG | CAJ | 179.5° | 179.7° |
| CAC | CAF | CAG | CAH | 0.5° | 0.1° |
| CAC | CAD | NAE | CAI | 179.8° | 179.9° |
| CAD | CAC | CAF | CAG | 0.3° | 0.1° |
| CAC | CAD | CAI | CAH | 0.3° | 0.0° |
| CAD | CAC | CAF | H1 | 179.7° | 179.7° |
| CAC | CAD | CAI | H4 | 179.7° | 180.0° |
| NAE | CAD | CAI | CAH | 179.4° | 180.0° |
| NAE | CAD | CAI | H4 | 0.6° | 0.1° |
| CAF | CAG | CAJ | NAL | 27.1° | 180.0° |
| CAF | CAG | CAJ | CAH | 180.0° | 179.7° |
| CAF | CAG | CAJ | OAK | 152.1° | 0.1° |
| CAF | CAG | CAH | CAI | 0.6° | 0.0° |
| CAF | CAG | CAH | H5 | 179.4° | 180.0° |
| CAD | CAI | CAH | CAG | 0.5° | 0.0° |
| CAD | CAI | CAH | H4 | 180.0° | 180.0° |
| CAD | CAI | CAH | H5 | 179.4° | 180.0° |
| CAM | NAL | CAJ | H6 | 180.0° | 179.9° |
| CAM | NAL | CAJ | CAG | 179.1° | 180.0° |
| NAL | CAM | CAN | H7 | 120.2° | 119.9° |
| NAL | CAM | CAN | H8 | 120.3° | 120.1° |
| CAM | NAL | CAJ | OAK | 0.1° | 0.1° |
| NAL | CAM | CAN | CAO | 75.5° | 180.0° |
| NAL | CAM | H7 | H8 | 119.2° | 120.0° |
| NAL | CAM | CAN | H9 | 44.7° | 60.1° |
| NAL | CAM | CAN | H10 | 164.2° | 60.0° |
| NAL | CAJ | CAG | OAK | 179.2° | 179.9° |
| NAL | CAJ | CAG | CAH | 153.0° | 0.3° |
| CAJ | NAL | CAM | CAN | 59.4° | 180.0° |
| CAJ | NAL | CAM | H7 | 60.8° | 60.1° |
| CAJ | NAL | CAM | H8 | 179.7° | 59.9° |
| CAJ | CAG | CAH | CAI | 179.4° | 179.7° |
| CAJ | CAG | CAF | H1 | 0.5° | 0.0° |
| CAJ | CAG | CAH | H5 | 0.7° | 0.3° |
| CAG | CAJ | NAL | H6 | 0.9° | 0.0° |
| CAH | CAG | CAJ | OAK | 27.8° | 179.7° |
| CAG | CAH | CAI | H5 | 180.0° | 180.0° |
| CAH | CAG | CAF | H1 | 179.5° | 179.7° |
| CAG | CAH | CAI | H4 | 179.4° | 180.0° |
| CAM | CAN | CAO | CAP | 15.4° | 89.7° |
| CAM | CAN | CAO | H9 | 120.2° | 120.0° |
| CAM | CAN | CAO | H10 | 120.2° | 120.0° |
| CAM | CAN | CAO | CAT | 164.9° | 90.0° |
| CAN | CAM | NAL | H6 | 120.6° | 0.1° |
| CAN | CAM | H7 | H8 | 119.2° | 120.0° |
| CAM | CAN | H9 | H10 | 119.3° | 120.0° |
| OAK | CAJ | NAL | H6 | 179.9° | 180.0° |
| CLAU | CAQ | CAP | CAR | 179.9° | 180.0° |
| CLAU | CAQ | CAP | CAO | 180.0° | 180.0° |
| CLAU | CAQ | CAR | CLAW | 0.0° | 0.0° |
| CLAU | CAQ | CAR | CAS | 179.9° | 180.0° |
| CLAU | CAQ | CAP | H11 | 0.1° | 0.1° |
| CAQ | CAP | CAO | H11 | 180.0° | 179.9° |
| CAQ | CAP | CAO | CAN | 179.9° | 180.0° |
| CAQ | CAP | CAO | CAT | 0.1° | 0.4° |
| CAP | CAQ | CAR | CLAW | 179.9° | 179.9° |
| CAP | CAQ | CAR | CAS | 0.0° | 0.0° |
| CAP | CAO | CAN | CAT | 179.7° | 179.7° |
| CAO | CAP | CAQ | CAR | 0.1° | 0.1° |
| CAP | CAO | CAT | CAS | 0.1° | 0.7° |
| CAP | CAO | CAN | H9 | 135.6° | 150.3° |
| CAP | CAO | CAN | H10 | 104.8° | 30.3° |
| CAP | CAO | CAT | H13 | 179.9° | 179.7° |
| CAN | CAO | CAT | CAS | 179.9° | 179.7° |
| CAO | CAN | CAM | H7 | 164.2° | 60.0° |
| CAO | CAN | CAM | H8 | 44.7° | 60.0° |
| CAO | CAN | H9 | H10 | 119.3° | 120.0° |
| CAN | CAO | CAP | H11 | 0.2° | 0.1° |
| CAN | CAO | CAT | H13 | 0.1° | 0.1° |
| CAQ | CAR | CLAW | CAS | 179.9° | 180.0° |
| CAQ | CAR | CAS | CAT | 0.0° | 0.3° |
| CAR | CAQ | CAP | H11 | 180.0° | 179.9° |
| CAQ | CAR | CAS | H12 | 180.0° | 180.0° |
| CAO | CAT | CAS | CAR | 0.0° | 0.6° |
| CAO | CAT | CAS | H13 | 180.0° | 179.6° |
| CAT | CAO | CAN | H9 | 44.7° | 30.0° |
| CAT | CAO | CAN | H10 | 74.9° | 150.1° |
| CAT | CAO | CAP | H11 | 179.9° | 179.7° |
| CAO | CAT | CAS | H12 | 180.0° | 179.6° |
| CLAW | CAR | CAS | CAT | 179.9° | 179.7° |
| CLAW | CAR | CAS | H12 | 0.1° | 0.1° |
| CAR | CAS | CAT | H12 | 180.0° | 179.8° |
| CAR | CAS | CAT | H13 | 179.9° | 179.8° |
| H4 | CAI | CAH | H5 | 0.6° | 0.0° |
| H6 | NAL | CAM | H7 | 119.2° | 120.0° |
| H6 | NAL | CAM | H8 | 0.3° | 120.0° |
| H7 | CAM | CAN | H9 | 75.6° | 180.0° |
| H7 | CAM | CAN | H10 | 44.0° | 59.9° |
| H8 | CAM | CAN | H9 | 164.9° | 60.0° |
| H8 | CAM | CAN | H10 | 75.5° | 180.0° |
| H12 | CAS | CAT | H13 | 0.0° | 0.0° |
