4YK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | OAS | sing | 1.43Å | 1.46Å | |
| OAS | CAQ | sing | 1.36Å | 1.40Å | |
| CAQ | CAR | doub | 1.38Å | 1.41Å | Aromatic |
| CAQ | CAP | sing | 1.39Å | 1.40Å | Aromatic |
| CAR | CAM | sing | 1.39Å | 1.42Å | Aromatic |
| CAM | NAC | sing | 1.38Å | 1.45Å | |
| CAM | CAN | doub | 1.40Å | 1.43Å | Aromatic |
| NAC | CAL | sing | 1.34Å | 1.44Å | |
| CAL | OAB | doub | 1.22Å | 1.26Å | |
| CAL | CAK | sing | 1.43Å | 1.37Å | |
| CAK | SAA | sing | 1.76Å | 1.67Å | Aromatic |
| CAK | CAD | doub | 1.37Å | 1.40Å | Aromatic |
| SAA | CAJ | sing | 1.76Å | 1.50Å | Aromatic |
| CAJ | CAI | sing | 1.40Å | 1.33Å | Aromatic |
| CAJ | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAH | doub | 1.37Å | 1.37Å | Aromatic |
| CAH | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAF | doub | 1.36Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.41Å | 1.33Å | Aromatic |
| CAE | CAD | sing | 1.47Å | 1.38Å | Aromatic |
| CAD | CAN | sing | 1.48Å | 1.38Å | |
| CAN | CAO | sing | 1.40Å | 1.41Å | Aromatic |
| CAO | CAP | doub | 1.37Å | 1.40Å | Aromatic |
| CAT | H1 | sing | 1.09Å | 1.10Å | |
| CAT | H2 | sing | 1.09Å | 1.10Å | |
| CAT | H3 | sing | 1.09Å | 1.10Å | |
| CAR | H4 | sing | 1.08Å | 1.08Å | |
| NAC | H5 | sing | 0.97Å | 1.00Å | |
| CAI | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAO | H11 | sing | 1.08Å | 1.08Å | |
| CAP | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | OAS | CAQ | 122.1° | 116.9° |
| OAS | CAT | H1 | 109.5° | 109.5° |
| OAS | CAT | H2 | 109.5° | 109.5° |
| OAS | CAT | H3 | 109.5° | 109.4° |
| OAS | CAQ | CAR | 119.8° | 119.7° |
| OAS | CAQ | CAP | 124.2° | 119.8° |
| CAR | CAQ | CAP | 116.0° | 120.6° |
| CAQ | CAR | CAM | 122.4° | 119.6° |
| CAQ | CAR | H4 | 118.8° | 120.2° |
| CAQ | CAP | CAO | 122.1° | 120.4° |
| CAQ | CAP | H12 | 118.9° | 119.8° |
| CAR | CAM | NAC | 118.9° | 120.8° |
| CAR | CAM | CAN | 121.3° | 119.5° |
| CAM | CAR | H4 | 118.8° | 120.2° |
| NAC | CAM | CAN | 119.7° | 119.8° |
| CAM | NAC | CAL | 119.7° | 121.3° |
| CAM | NAC | H5 | 120.2° | 119.4° |
| CAM | CAN | CAD | 119.6° | 119.3° |
| CAM | CAN | CAO | 115.2° | 120.2° |
| NAC | CAL | OAB | 121.6° | 119.0° |
| NAC | CAL | CAK | 116.5° | 122.0° |
| CAL | NAC | H5 | 120.2° | 119.3° |
| OAB | CAL | CAK | 121.9° | 119.0° |
| CAL | CAK | SAA | 126.7° | 129.6° |
| CAL | CAK | CAD | 125.7° | 119.6° |
| SAA | CAK | CAD | 107.7° | 110.7° |
| CAK | SAA | CAJ | 98.4° | 92.8° |
| CAK | CAD | CAE | 109.3° | 113.3° |
| CAK | CAD | CAN | 118.9° | 118.0° |
| SAA | CAJ | CAI | 123.2° | 130.0° |
| SAA | CAJ | CAE | 110.7° | 110.4° |
| CAI | CAJ | CAE | 126.1° | 119.6° |
| CAJ | CAI | CAH | 118.1° | 120.2° |
| CAJ | CAI | H6 | 120.9° | 119.9° |
| CAJ | CAE | CAF | 115.9° | 119.1° |
| CAJ | CAE | CAD | 114.0° | 112.6° |
| CAI | CAH | CAG | 118.1° | 120.2° |
| CAH | CAI | H6 | 121.0° | 119.9° |
| CAI | CAH | H7 | 121.0° | 119.9° |
| CAH | CAG | CAF | 120.9° | 120.5° |
| CAG | CAH | H7 | 121.0° | 119.9° |
| CAH | CAG | H9 | 119.6° | 119.8° |
| CAG | CAF | CAE | 120.9° | 120.4° |
| CAF | CAG | H9 | 119.5° | 119.7° |
| CAG | CAF | H10 | 119.5° | 119.8° |
| CAF | CAE | CAD | 130.1° | 128.3° |
| CAE | CAF | H10 | 119.5° | 119.8° |
| CAE | CAD | CAN | 131.8° | 128.7° |
| CAD | CAN | CAO | 125.2° | 120.4° |
| CAN | CAO | CAP | 122.9° | 119.7° |
| CAN | CAO | H11 | 118.5° | 120.2° |
| CAP | CAO | H11 | 118.6° | 120.1° |
| CAO | CAP | H12 | 118.9° | 119.8° |
| H1 | CAT | H2 | 109.5° | 109.5° |
| H1 | CAT | H3 | 109.4° | 109.5° |
| H2 | CAT | H3 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | OAS | CAQ | CAR | 173.4° | 180.0° |
| CAT | OAS | CAQ | CAP | 7.1° | 0.3° |
| OAS | CAT | H1 | H2 | 120.0° | 120.0° |
| OAS | CAT | H1 | H3 | 120.0° | 119.9° |
| OAS | CAT | H2 | H3 | 120.0° | 119.9° |
| OAS | CAQ | CAR | CAP | 179.5° | 179.7° |
| OAS | CAQ | CAR | CAM | 179.9° | 180.0° |
| OAS | CAQ | CAP | CAO | 179.6° | 179.8° |
| CAQ | OAS | CAT | H1 | 180.0° | 60.0° |
| CAQ | OAS | CAT | H2 | 60.0° | 60.1° |
| CAQ | OAS | CAT | H3 | 60.0° | 180.0° |
| OAS | CAQ | CAR | H4 | 0.1° | 0.0° |
| OAS | CAQ | CAP | H12 | 0.4° | 0.0° |
| CAQ | CAR | CAM | H4 | 180.0° | 180.0° |
| CAQ | CAR | CAM | NAC | 179.9° | 180.0° |
| CAQ | CAR | CAM | CAN | 0.1° | 0.0° |
| CAR | CAQ | CAP | CAO | 0.1° | 0.6° |
| CAR | CAQ | CAP | H12 | 179.9° | 179.7° |
| CAP | CAQ | CAR | CAM | 0.4° | 0.3° |
| CAQ | CAP | CAO | CAN | 0.6° | 0.5° |
| CAQ | CAP | CAO | H12 | 180.0° | 179.7° |
| CAP | CAQ | CAR | H4 | 179.6° | 179.7° |
| CAQ | CAP | CAO | H11 | 179.4° | 179.7° |
| CAR | CAM | NAC | CAN | 180.0° | 180.0° |
| CAR | CAM | NAC | CAL | 179.6° | 180.0° |
| CAR | CAM | CAN | CAD | 179.7° | 180.0° |
| CAR | CAM | CAN | CAO | 0.7° | 0.0° |
| CAR | CAM | NAC | H5 | 0.4° | 0.0° |
| CAM | NAC | CAL | H5 | 180.0° | 180.0° |
| CAM | NAC | CAL | OAB | 179.3° | 179.9° |
| CAM | NAC | CAL | CAK | 0.4° | 0.0° |
| NAC | CAM | CAN | CAD | 0.3° | 0.0° |
| NAC | CAM | CAN | CAO | 179.2° | 180.0° |
| NAC | CAM | CAR | H4 | 0.1° | 0.0° |
| CAN | CAM | NAC | CAL | 0.4° | 0.0° |
| CAM | CAN | CAD | CAK | 0.2° | 0.0° |
| CAM | CAN | CAD | CAE | 179.4° | 180.0° |
| CAM | CAN | CAD | CAO | 179.5° | 180.0° |
| CAM | CAN | CAO | CAP | 1.0° | 0.2° |
| CAN | CAM | CAR | H4 | 179.9° | 180.0° |
| CAN | CAM | NAC | H5 | 179.5° | 180.0° |
| CAM | CAN | CAO | H11 | 179.0° | 179.9° |
| NAC | CAL | OAB | CAK | 179.8° | 179.9° |
| NAC | CAL | CAK | SAA | 179.2° | 180.0° |
| NAC | CAL | CAK | CAD | 0.4° | 0.0° |
| OAB | CAL | CAK | SAA | 1.0° | 0.1° |
| OAB | CAL | CAK | CAD | 179.4° | 179.9° |
| OAB | CAL | NAC | H5 | 0.7° | 0.1° |
| CAL | CAK | SAA | CAD | 179.7° | 180.0° |
| CAL | CAK | SAA | CAJ | 179.6° | 180.0° |
| CAL | CAK | CAD | CAE | 179.6° | 180.0° |
| CAL | CAK | CAD | CAN | 0.2° | 0.0° |
| CAK | CAL | NAC | H5 | 179.5° | 180.0° |
| CAK | SAA | CAJ | CAI | 179.8° | 179.9° |
| CAK | SAA | CAJ | CAE | 0.0° | 0.1° |
| SAA | CAK | CAD | CAE | 0.0° | 0.0° |
| SAA | CAK | CAD | CAN | 179.4° | 180.0° |
| CAD | CAK | SAA | CAJ | 0.0° | 0.0° |
| CAK | CAD | CAE | CAJ | 0.1° | 0.0° |
| CAK | CAD | CAE | CAF | 179.9° | 180.0° |
| CAK | CAD | CAE | CAN | 179.3° | 180.0° |
| CAK | CAD | CAN | CAO | 179.3° | 180.0° |
| SAA | CAJ | CAI | CAE | 179.7° | 179.9° |
| SAA | CAJ | CAI | CAH | 180.0° | 179.9° |
| SAA | CAJ | CAE | CAF | 179.9° | 180.0° |
| SAA | CAJ | CAE | CAD | 0.0° | 0.1° |
| SAA | CAJ | CAI | H6 | 0.0° | 0.2° |
| CAJ | CAI | CAH | H6 | 180.0° | 179.9° |
| CAJ | CAI | CAH | CAG | 0.0° | 0.0° |
| CAI | CAJ | CAE | CAF | 0.2° | 0.1° |
| CAI | CAJ | CAE | CAD | 179.8° | 179.9° |
| CAJ | CAI | CAH | H7 | 180.0° | 180.0° |
| CAE | CAJ | CAI | CAH | 0.3° | 0.1° |
| CAJ | CAE | CAF | CAG | 0.2° | 0.0° |
| CAJ | CAE | CAF | CAD | 179.9° | 180.0° |
| CAJ | CAE | CAD | CAN | 179.3° | 180.0° |
| CAE | CAJ | CAI | H6 | 179.7° | 180.0° |
| CAJ | CAE | CAF | H10 | 179.8° | 180.0° |
| CAI | CAH | CAG | H7 | 180.0° | 180.0° |
| CAI | CAH | CAG | CAF | 0.3° | 0.0° |
| CAI | CAH | CAG | H9 | 179.7° | 180.0° |
| CAH | CAG | CAF | H9 | 180.0° | 180.0° |
| CAH | CAG | CAF | CAE | 0.4° | 0.0° |
| CAG | CAH | CAI | H6 | 179.9° | 179.9° |
| CAH | CAG | CAF | H10 | 179.6° | 180.0° |
| CAG | CAF | CAE | H10 | 180.0° | 180.0° |
| CAG | CAF | CAE | CAD | 179.9° | 180.0° |
| CAF | CAG | CAH | H7 | 179.7° | 180.0° |
| CAF | CAE | CAD | CAN | 0.6° | 0.0° |
| CAE | CAF | CAG | H9 | 179.6° | 180.0° |
| CAE | CAD | CAN | CAO | 0.1° | 0.0° |
| CAD | CAE | CAF | H10 | 0.1° | 0.0° |
| CAD | CAN | CAO | CAP | 179.4° | 179.8° |
| CAD | CAN | CAO | H11 | 0.6° | 0.1° |
| CAN | CAO | CAP | H11 | 180.0° | 179.8° |
| CAN | CAO | CAP | H12 | 179.4° | 179.8° |
| H1 | CAT | H2 | H3 | 120.0° | 120.0° |
| H6 | CAI | CAH | H7 | 0.0° | 0.1° |
| H7 | CAH | CAG | H9 | 0.3° | 0.0° |
| H9 | CAG | CAF | H10 | 0.4° | 0.0° |
| H11 | CAO | CAP | H12 | 0.6° | 0.1° |
