5WT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | sing | 1.51Å | 1.55Å | |
| CAK | NAJ | sing | 1.35Å | 1.35Å | |
| CAK | OAD | doub | 1.21Å | 1.23Å | |
| NAJ | CAL | sing | 1.40Å | 1.35Å | |
| CAL | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAF | sing | 1.40Å | 1.41Å | Aromatic |
| CAI | CAP | sing | 1.39Å | 1.41Å | Aromatic |
| CAF | CAG | doub | 1.36Å | 1.38Å | Aromatic |
| CAC | NAQ | sing | 1.46Å | 1.49Å | |
| CAP | NAQ | sing | 1.38Å | 1.40Å | |
| CAP | CAO | doub | 1.41Å | 1.43Å | Aromatic |
| CAG | CAO | sing | 1.40Å | 1.42Å | Aromatic |
| NAQ | CAN | sing | 1.34Å | 1.33Å | |
| CAO | CAM | sing | 1.46Å | 1.40Å | |
| CAN | OAE | doub | 1.22Å | 1.24Å | |
| CAN | CAH | sing | 1.41Å | 1.41Å | |
| CAM | CAH | doub | 1.36Å | 1.40Å | |
| CAM | CAB | sing | 1.51Å | 1.43Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| NAJ | H11 | sing | 0.97Å | 1.00Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAK | NAJ | 113.3° | 120.0° |
| CAA | CAK | OAD | 121.0° | 119.9° |
| CAK | CAA | H12 | 109.5° | 109.5° |
| CAK | CAA | H13 | 109.4° | 109.5° |
| CAK | CAA | H14 | 109.5° | 109.5° |
| NAJ | CAK | OAD | 125.8° | 120.1° |
| CAK | NAJ | CAL | 122.4° | 120.0° |
| CAK | NAJ | H11 | 118.8° | 120.0° |
| NAJ | CAL | CAI | 115.5° | 119.7° |
| NAJ | CAL | CAF | 125.0° | 119.7° |
| CAL | NAJ | H11 | 118.8° | 120.0° |
| CAI | CAL | CAF | 119.4° | 120.5° |
| CAL | CAI | CAP | 122.7° | 119.7° |
| CAL | CAI | H8 | 118.7° | 120.1° |
| CAL | CAF | CAG | 120.3° | 120.5° |
| CAL | CAF | H10 | 119.9° | 119.8° |
| CAI | CAP | NAQ | 121.9° | 120.9° |
| CAI | CAP | CAO | 116.8° | 119.5° |
| CAP | CAI | H8 | 118.7° | 120.1° |
| CAF | CAG | CAO | 120.1° | 119.8° |
| CAF | CAG | H9 | 119.9° | 120.1° |
| CAG | CAF | H10 | 119.9° | 119.7° |
| CAC | NAQ | CAP | 124.4° | 119.6° |
| CAC | NAQ | CAN | 115.6° | 119.5° |
| NAQ | CAC | H5 | 109.5° | 109.5° |
| NAQ | CAC | H6 | 109.5° | 109.5° |
| NAQ | CAC | H7 | 109.5° | 109.5° |
| NAQ | CAP | CAO | 121.3° | 119.7° |
| CAP | NAQ | CAN | 120.0° | 120.9° |
| CAP | CAO | CAG | 120.8° | 120.0° |
| CAP | CAO | CAM | 118.6° | 119.0° |
| CAG | CAO | CAM | 120.6° | 121.0° |
| CAO | CAG | H9 | 119.9° | 120.1° |
| NAQ | CAN | OAE | 120.2° | 119.2° |
| NAQ | CAN | CAH | 120.2° | 121.6° |
| CAO | CAM | CAH | 117.7° | 118.5° |
| CAO | CAM | CAB | 122.3° | 120.7° |
| OAE | CAN | CAH | 119.6° | 119.2° |
| CAN | CAH | CAM | 122.2° | 120.3° |
| CAN | CAH | H4 | 118.9° | 119.9° |
| CAH | CAM | CAB | 120.0° | 120.8° |
| CAM | CAH | H4 | 118.9° | 119.8° |
| CAM | CAB | H1 | 109.5° | 109.5° |
| CAM | CAB | H2 | 109.5° | 109.5° |
| CAM | CAB | H3 | 109.5° | 109.4° |
| H1 | CAB | H2 | 109.4° | 109.5° |
| H1 | CAB | H3 | 109.5° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.5° |
| H5 | CAC | H6 | 109.4° | 109.5° |
| H5 | CAC | H7 | 109.5° | 109.5° |
| H6 | CAC | H7 | 109.5° | 109.4° |
| H12 | CAA | H13 | 109.4° | 109.4° |
| H12 | CAA | H14 | 109.5° | 109.5° |
| H13 | CAA | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAK | NAJ | OAD | 179.5° | 179.9° |
| CAA | CAK | NAJ | CAL | 179.8° | 174.8° |
| CAA | CAK | NAJ | H11 | 0.2° | 5.2° |
| CAK | CAA | H12 | H13 | 120.0° | 120.0° |
| CAK | CAA | H12 | H14 | 120.0° | 120.1° |
| CAK | CAA | H13 | H14 | 120.0° | 120.1° |
| CAK | NAJ | CAL | H11 | 180.0° | 180.0° |
| CAK | NAJ | CAL | CAI | 142.0° | 146.4° |
| CAK | NAJ | CAL | CAF | 40.6° | 33.7° |
| NAJ | CAK | CAA | H12 | 179.5° | 0.1° |
| NAJ | CAK | CAA | H13 | 59.5° | 120.0° |
| NAJ | CAK | CAA | H14 | 60.5° | 120.0° |
| OAD | CAK | NAJ | CAL | 0.7° | 5.3° |
| OAD | CAK | NAJ | H11 | 179.3° | 174.7° |
| OAD | CAK | CAA | H12 | 0.0° | 180.0° |
| OAD | CAK | CAA | H13 | 120.0° | 60.1° |
| OAD | CAK | CAA | H14 | 120.0° | 60.0° |
| NAJ | CAL | CAI | CAF | 177.6° | 179.9° |
| NAJ | CAL | CAI | CAP | 178.4° | 180.0° |
| NAJ | CAL | CAF | CAG | 179.0° | 179.8° |
| NAJ | CAL | CAI | H8 | 1.6° | 0.0° |
| NAJ | CAL | CAF | H10 | 1.1° | 0.0° |
| CAL | CAI | CAP | H8 | 180.0° | 179.9° |
| CAI | CAL | CAF | CAG | 1.6° | 0.1° |
| CAL | CAI | CAP | NAQ | 178.9° | 179.9° |
| CAL | CAI | CAP | CAO | 0.0° | 0.3° |
| CAI | CAL | CAF | H10 | 178.4° | 180.0° |
| CAI | CAL | NAJ | H11 | 38.0° | 33.7° |
| CAF | CAL | CAI | CAP | 0.8° | 0.1° |
| CAL | CAF | CAG | H10 | 180.0° | 179.9° |
| CAL | CAF | CAG | CAO | 1.6° | 0.1° |
| CAF | CAL | CAI | H8 | 179.2° | 180.0° |
| CAL | CAF | CAG | H9 | 178.4° | 179.8° |
| CAF | CAL | NAJ | H11 | 139.4° | 146.3° |
| CAI | CAP | NAQ | CAC | 1.4° | 0.1° |
| CAI | CAP | NAQ | CAO | 178.8° | 179.7° |
| CAI | CAP | CAO | CAG | 0.1° | 0.3° |
| CAI | CAP | NAQ | CAN | 179.7° | 179.9° |
| CAI | CAP | CAO | CAM | 179.7° | 179.8° |
| CAF | CAG | CAO | CAP | 0.7° | 0.1° |
| CAF | CAG | CAO | H9 | 180.0° | 179.9° |
| CAF | CAG | CAO | CAM | 178.9° | 179.6° |
| CAC | NAQ | CAP | CAN | 178.3° | 180.0° |
| CAC | NAQ | CAP | CAO | 179.8° | 179.7° |
| CAC | NAQ | CAN | OAE | 0.9° | 0.0° |
| CAC | NAQ | CAN | CAH | 179.5° | 180.0° |
| NAQ | CAC | H5 | H6 | 120.0° | 120.0° |
| NAQ | CAC | H5 | H7 | 120.0° | 120.0° |
| NAQ | CAC | H6 | H7 | 120.0° | 120.0° |
| NAQ | CAP | CAO | CAG | 179.0° | 179.9° |
| NAQ | CAP | CAO | CAM | 1.5° | 0.5° |
| CAP | NAQ | CAN | OAE | 179.3° | 180.0° |
| CAP | NAQ | CAN | CAH | 1.1° | 0.0° |
| CAP | NAQ | CAC | H5 | 180.0° | 180.0° |
| CAP | NAQ | CAC | H6 | 60.0° | 60.0° |
| CAP | NAQ | CAC | H7 | 60.0° | 60.0° |
| NAQ | CAP | CAI | H8 | 1.1° | 0.1° |
| CAP | CAO | CAG | CAM | 179.5° | 179.5° |
| CAO | CAP | NAQ | CAN | 1.5° | 0.3° |
| CAP | CAO | CAM | CAH | 1.1° | 0.5° |
| CAP | CAO | CAM | CAB | 179.4° | 179.7° |
| CAO | CAP | CAI | H8 | 180.0° | 179.8° |
| CAP | CAO | CAG | H9 | 179.3° | 180.0° |
| CAG | CAO | CAM | CAH | 179.4° | 179.9° |
| CAG | CAO | CAM | CAB | 1.0° | 0.2° |
| CAO | CAG | CAF | H10 | 178.4° | 180.0° |
| NAQ | CAN | OAE | CAH | 179.6° | 180.0° |
| NAQ | CAN | CAH | CAM | 0.7° | 0.1° |
| NAQ | CAN | CAH | H4 | 179.3° | 180.0° |
| CAN | NAQ | CAC | H5 | 1.6° | 0.0° |
| CAN | NAQ | CAC | H6 | 121.6° | 120.0° |
| CAN | NAQ | CAC | H7 | 118.4° | 120.0° |
| CAO | CAM | CAH | CAN | 0.7° | 0.3° |
| CAO | CAM | CAH | CAB | 178.4° | 179.8° |
| CAO | CAM | CAB | H1 | 180.0° | 179.7° |
| CAO | CAM | CAB | H2 | 60.0° | 60.2° |
| CAO | CAM | CAB | H3 | 60.0° | 59.7° |
| CAO | CAM | CAH | H4 | 179.3° | 179.7° |
| CAM | CAO | CAG | H9 | 1.1° | 0.5° |
| OAE | CAN | CAH | CAM | 179.7° | 180.0° |
| OAE | CAN | CAH | H4 | 0.3° | 0.0° |
| CAN | CAH | CAM | H4 | 180.0° | 180.0° |
| CAN | CAH | CAM | CAB | 179.1° | 179.9° |
| CAH | CAM | CAB | H1 | 1.7° | 0.0° |
| CAH | CAM | CAB | H2 | 121.7° | 120.0° |
| CAH | CAM | CAB | H3 | 118.3° | 120.0° |
| CAM | CAB | H1 | H2 | 120.0° | 120.0° |
| CAM | CAB | H1 | H3 | 120.0° | 119.9° |
| CAM | CAB | H2 | H3 | 120.0° | 120.0° |
| CAB | CAM | CAH | H4 | 0.9° | 0.0° |
| H1 | CAB | H2 | H3 | 120.0° | 120.0° |
| H5 | CAC | H6 | H7 | 120.0° | 120.0° |
| H9 | CAG | CAF | H10 | 1.6° | 0.1° |
| H12 | CAA | H13 | H14 | 120.0° | 120.0° |
