5WS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | SAR | sing | 1.81Å | 1.79Å | |
| OAF | SAR | doub | 1.42Å | 1.55Å | |
| SAR | OAE | doub | 1.42Å | 1.54Å | |
| SAR | NAK | sing | 1.66Å | 1.73Å | |
| NAK | CAM | sing | 1.39Å | 1.35Å | |
| CAM | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAM | CAG | sing | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAP | sing | 1.39Å | 1.42Å | Aromatic |
| CAG | CAH | doub | 1.36Å | 1.40Å | Aromatic |
| CAB | NAQ | sing | 1.46Å | 1.50Å | |
| CAP | NAQ | sing | 1.38Å | 1.39Å | |
| CAP | CAO | doub | 1.41Å | 1.43Å | Aromatic |
| CAH | CAO | sing | 1.40Å | 1.41Å | Aromatic |
| NAQ | CAN | sing | 1.35Å | 1.35Å | |
| CAO | CAL | sing | 1.42Å | 1.41Å | |
| CAN | OAD | doub | 1.22Å | 1.23Å | |
| CAN | CAI | sing | 1.41Å | 1.40Å | |
| CAL | CAI | doub | 1.36Å | 1.40Å | |
| CAL | CAA | sing | 1.51Å | 1.42Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAB | H6 | sing | 1.09Å | 1.10Å | |
| CAB | H7 | sing | 1.09Å | 1.10Å | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| NAK | H11 | sing | 0.97Å | 1.00Å | |
| CAC | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAC | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAC | SAR | OAF | 108.2° | 110.5° |
| CAC | SAR | OAE | 109.0° | 110.5° |
| CAC | SAR | NAK | 108.4° | 104.4° |
| SAR | CAC | H12 | 109.5° | 109.5° |
| SAR | CAC | H13 | 109.5° | 109.4° |
| SAR | CAC | H14 | 109.5° | 109.4° |
| OAF | SAR | OAE | 110.4° | 121.1° |
| OAF | SAR | NAK | 111.8° | 104.2° |
| OAE | SAR | NAK | 108.9° | 104.3° |
| SAR | NAK | CAM | 118.5° | 120.0° |
| SAR | NAK | H11 | 107.2° | 120.0° |
| NAK | CAM | CAJ | 120.2° | 119.8° |
| NAK | CAM | CAG | 120.7° | 119.8° |
| CAM | NAK | H11 | 107.2° | 120.0° |
| CAJ | CAM | CAG | 119.1° | 120.5° |
| CAM | CAJ | CAP | 122.0° | 119.7° |
| CAM | CAJ | H8 | 119.0° | 120.1° |
| CAM | CAG | CAH | 120.8° | 120.5° |
| CAM | CAG | H10 | 119.6° | 119.7° |
| CAJ | CAP | NAQ | 121.7° | 120.7° |
| CAJ | CAP | CAO | 117.9° | 119.6° |
| CAP | CAJ | H8 | 119.0° | 120.2° |
| CAG | CAH | CAO | 120.5° | 119.9° |
| CAG | CAH | H9 | 119.8° | 120.1° |
| CAH | CAG | H10 | 119.6° | 119.8° |
| CAB | NAQ | CAP | 121.9° | 119.8° |
| CAB | NAQ | CAN | 117.9° | 119.8° |
| NAQ | CAB | H5 | 109.5° | 109.4° |
| NAQ | CAB | H6 | 109.5° | 109.5° |
| NAQ | CAB | H7 | 109.5° | 109.5° |
| NAQ | CAP | CAO | 120.5° | 119.7° |
| CAP | NAQ | CAN | 120.2° | 120.4° |
| CAP | CAO | CAH | 119.8° | 119.8° |
| CAP | CAO | CAL | 119.0° | 119.4° |
| CAH | CAO | CAL | 121.2° | 120.8° |
| CAO | CAH | H9 | 119.8° | 120.0° |
| NAQ | CAN | OAD | 120.8° | 119.5° |
| NAQ | CAN | CAI | 120.8° | 121.0° |
| CAO | CAL | CAI | 118.1° | 119.2° |
| CAO | CAL | CAA | 122.8° | 120.4° |
| OAD | CAN | CAI | 118.4° | 119.5° |
| CAN | CAI | CAL | 121.4° | 120.4° |
| CAN | CAI | H4 | 119.3° | 119.8° |
| CAI | CAL | CAA | 119.1° | 120.4° |
| CAL | CAI | H4 | 119.3° | 119.8° |
| CAL | CAA | H1 | 109.5° | 109.5° |
| CAL | CAA | H2 | 109.5° | 109.5° |
| CAL | CAA | H3 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H5 | CAB | H6 | 109.4° | 109.5° |
| H5 | CAB | H7 | 109.5° | 109.5° |
| H6 | CAB | H7 | 109.5° | 109.5° |
| H12 | CAC | H13 | 109.5° | 109.5° |
| H12 | CAC | H14 | 109.5° | 109.5° |
| H13 | CAC | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAC | SAR | OAF | OAE | 119.2° | 131.5° |
| CAC | SAR | OAF | NAK | 119.4° | 111.7° |
| CAC | SAR | OAE | NAK | 118.1° | 111.7° |
| CAC | SAR | NAK | CAM | 148.0° | 63.4° |
| CAC | SAR | NAK | H11 | 26.8° | 116.6° |
| SAR | CAC | H12 | H13 | 120.0° | 120.0° |
| SAR | CAC | H12 | H14 | 120.0° | 120.0° |
| SAR | CAC | H13 | H14 | 120.0° | 120.0° |
| OAF | SAR | OAE | NAK | 123.1° | 116.7° |
| OAF | SAR | NAK | CAM | 92.7° | 52.6° |
| OAF | SAR | NAK | H11 | 146.0° | 127.4° |
| OAF | SAR | CAC | H12 | 180.0° | 72.1° |
| OAF | SAR | CAC | H13 | 60.0° | 47.9° |
| OAF | SAR | CAC | H14 | 60.0° | 167.9° |
| OAE | SAR | NAK | CAM | 29.6° | 179.5° |
| OAE | SAR | NAK | H11 | 91.7° | 0.5° |
| OAE | SAR | CAC | H12 | 59.9° | 64.7° |
| OAE | SAR | CAC | H13 | 60.1° | 175.3° |
| OAE | SAR | CAC | H14 | 179.9° | 55.3° |
| SAR | NAK | CAM | H11 | 121.3° | 180.0° |
| SAR | NAK | CAM | CAJ | 86.8° | 75.3° |
| SAR | NAK | CAM | CAG | 93.2° | 104.7° |
| NAK | SAR | CAC | H12 | 58.5° | 176.3° |
| NAK | SAR | CAC | H13 | 178.5° | 63.7° |
| NAK | SAR | CAC | H14 | 61.5° | 56.3° |
| NAK | CAM | CAJ | CAG | 180.0° | 179.9° |
| NAK | CAM | CAJ | CAP | 179.9° | 180.0° |
| NAK | CAM | CAG | CAH | 179.9° | 179.7° |
| NAK | CAM | CAJ | H8 | 0.2° | 0.0° |
| NAK | CAM | CAG | H10 | 0.1° | 0.1° |
| CAM | CAJ | CAP | H8 | 180.0° | 180.0° |
| CAJ | CAM | CAG | CAH | 0.2° | 0.2° |
| CAM | CAJ | CAP | NAQ | 179.6° | 180.0° |
| CAM | CAJ | CAP | CAO | 0.1° | 0.2° |
| CAJ | CAM | CAG | H10 | 179.9° | 180.0° |
| CAJ | CAM | NAK | H11 | 151.9° | 104.7° |
| CAG | CAM | CAJ | CAP | 0.1° | 0.0° |
| CAM | CAG | CAH | H10 | 180.0° | 179.8° |
| CAM | CAG | CAH | CAO | 0.5° | 0.2° |
| CAG | CAM | CAJ | H8 | 179.9° | 180.0° |
| CAM | CAG | CAH | H9 | 179.5° | 179.7° |
| CAG | CAM | NAK | H11 | 28.1° | 75.3° |
| CAJ | CAP | NAQ | CAB | 0.2° | 0.1° |
| CAJ | CAP | NAQ | CAO | 179.6° | 179.8° |
| CAJ | CAP | CAO | CAH | 0.3° | 0.3° |
| CAJ | CAP | NAQ | CAN | 179.7° | 180.0° |
| CAJ | CAP | CAO | CAL | 180.0° | 179.7° |
| CAG | CAH | CAO | CAP | 0.5° | 0.1° |
| CAG | CAH | CAO | H9 | 180.0° | 179.9° |
| CAG | CAH | CAO | CAL | 179.7° | 179.5° |
| CAB | NAQ | CAP | CAN | 179.9° | 180.0° |
| CAB | NAQ | CAP | CAO | 179.8° | 179.7° |
| CAB | NAQ | CAN | OAD | 0.0° | 0.0° |
| CAB | NAQ | CAN | CAI | 180.0° | 180.0° |
| NAQ | CAB | H5 | H6 | 120.0° | 120.0° |
| NAQ | CAB | H5 | H7 | 120.0° | 119.9° |
| NAQ | CAB | H6 | H7 | 120.0° | 120.0° |
| NAQ | CAP | CAO | CAH | 179.9° | 179.9° |
| NAQ | CAP | CAO | CAL | 0.4° | 0.5° |
| CAP | NAQ | CAN | OAD | 179.9° | 180.0° |
| CAP | NAQ | CAN | CAI | 0.1° | 0.0° |
| CAP | NAQ | CAB | H5 | 180.0° | 180.0° |
| CAP | NAQ | CAB | H6 | 60.0° | 60.0° |
| CAP | NAQ | CAB | H7 | 60.0° | 60.1° |
| NAQ | CAP | CAJ | H8 | 0.4° | 0.0° |
| CAP | CAO | CAH | CAL | 179.7° | 179.5° |
| CAO | CAP | NAQ | CAN | 0.1° | 0.2° |
| CAP | CAO | CAL | CAI | 0.4° | 0.5° |
| CAP | CAO | CAL | CAA | 179.9° | 179.8° |
| CAO | CAP | CAJ | H8 | 179.9° | 179.7° |
| CAP | CAO | CAH | H9 | 179.5° | 180.0° |
| CAH | CAO | CAL | CAI | 179.9° | 179.9° |
| CAH | CAO | CAL | CAA | 0.4° | 0.3° |
| CAO | CAH | CAG | H10 | 179.5° | 180.0° |
| NAQ | CAN | OAD | CAI | 180.0° | 180.0° |
| NAQ | CAN | CAI | CAL | 0.1° | 0.0° |
| NAQ | CAN | CAI | H4 | 179.9° | 180.0° |
| CAN | NAQ | CAB | H5 | 0.1° | 0.0° |
| CAN | NAQ | CAB | H6 | 119.9° | 120.0° |
| CAN | NAQ | CAB | H7 | 120.1° | 120.0° |
| CAO | CAL | CAI | CAN | 0.2° | 0.2° |
| CAO | CAL | CAI | CAA | 179.6° | 179.7° |
| CAO | CAL | CAA | H1 | 180.0° | 179.7° |
| CAO | CAL | CAA | H2 | 60.0° | 60.3° |
| CAO | CAL | CAA | H3 | 60.0° | 59.7° |
| CAO | CAL | CAI | H4 | 179.8° | 179.8° |
| CAL | CAO | CAH | H9 | 0.3° | 0.6° |
| OAD | CAN | CAI | CAL | 179.9° | 180.0° |
| OAD | CAN | CAI | H4 | 0.1° | 0.0° |
| CAN | CAI | CAL | H4 | 180.0° | 180.0° |
| CAN | CAI | CAL | CAA | 179.7° | 180.0° |
| CAI | CAL | CAA | H1 | 0.5° | 0.0° |
| CAI | CAL | CAA | H2 | 120.4° | 120.0° |
| CAI | CAL | CAA | H3 | 119.5° | 120.0° |
| CAL | CAA | H1 | H2 | 120.0° | 120.0° |
| CAL | CAA | H1 | H3 | 120.0° | 120.0° |
| CAL | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAL | CAI | H4 | 0.3° | 0.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H5 | CAB | H6 | H7 | 120.0° | 120.0° |
| H9 | CAH | CAG | H10 | 0.5° | 0.1° |
| H12 | CAC | H13 | H14 | 120.0° | 120.1° |
