W87
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAZ | doub | 1.22Å | 1.24Å | |
| CAZ | NAQ | sing | 1.34Å | 1.38Å | |
| CAZ | NAR | sing | 1.34Å | 1.35Å | |
| NAQ | CAX | sing | 1.38Å | 1.42Å | |
| NAR | CBA | sing | 1.35Å | 1.41Å | |
| CAX | CAT | sing | 1.48Å | 1.47Å | |
| CAX | CAY | doub | 1.36Å | 1.37Å | |
| CAT | OAF | doub | 1.21Å | 1.22Å | |
| CAT | OAB | sing | 1.35Å | 1.30Å | |
| CBA | CAY | sing | 1.47Å | 1.43Å | |
| CBA | OAE | doub | 1.22Å | 1.26Å | |
| CAY | CAP | sing | 1.51Å | 1.44Å | |
| CAP | CAN | sing | 1.53Å | 1.53Å | |
| CAN | CAM | sing | 1.53Å | 1.53Å | |
| CAM | CAO | sing | 1.53Å | 1.57Å | |
| OAC | CAU | doub | 1.21Å | 1.24Å | |
| CAA | OAS | sing | 1.45Å | 1.44Å | |
| CAI | CAK | doub | 1.36Å | 1.42Å | Aromatic |
| CAI | CAV | sing | 1.39Å | 1.41Å | Aromatic |
| CAK | CBC | sing | 1.40Å | 1.41Å | Aromatic |
| CAU | OAS | sing | 1.35Å | 1.39Å | |
| CAU | CAW | sing | 1.47Å | 1.42Å | |
| CAO | CAV | sing | 1.51Å | 1.45Å | |
| CAV | CAL | doub | 1.36Å | 1.39Å | Aromatic |
| CBC | CAW | doub | 1.46Å | 1.41Å | Aromatic |
| CBC | CBB | sing | 1.42Å | 1.40Å | Aromatic |
| CAW | CAH | sing | 1.39Å | 1.41Å | Aromatic |
| CAL | CBB | sing | 1.41Å | 1.39Å | Aromatic |
| CBB | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAG | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAG | sing | 1.36Å | 1.40Å | Aromatic |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| NAR | H2 | sing | 0.97Å | 1.00Å | |
| CAP | H4 | sing | 1.09Å | 1.10Å | |
| CAP | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.08Å | 1.08Å | |
| CAI | H13 | sing | 1.08Å | 1.08Å | |
| CAK | H14 | sing | 1.08Å | 1.08Å | |
| CAJ | H15 | sing | 1.08Å | 1.08Å | |
| CAG | H16 | sing | 1.08Å | 1.08Å | |
| CAH | H17 | sing | 1.08Å | 1.08Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å | |
| NAQ | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAZ | NAQ | 121.4° | 119.1° |
| OAD | CAZ | NAR | 121.3° | 119.1° |
| NAQ | CAZ | NAR | 117.3° | 121.8° |
| CAZ | NAQ | CAX | 120.8° | 121.2° |
| CAZ | NAQ | H21 | 119.6° | 119.4° |
| CAZ | NAR | CBA | 125.1° | 120.4° |
| CAZ | NAR | H2 | 117.4° | 119.8° |
| NAQ | CAX | CAT | 114.7° | 120.3° |
| NAQ | CAX | CAY | 120.9° | 119.4° |
| CAX | NAQ | H21 | 119.6° | 119.5° |
| NAR | CBA | CAY | 116.7° | 118.8° |
| NAR | CBA | OAE | 119.6° | 120.6° |
| CBA | NAR | H2 | 117.4° | 119.8° |
| CAT | CAX | CAY | 123.8° | 120.3° |
| CAX | CAT | OAF | 123.1° | 120.0° |
| CAX | CAT | OAB | 114.6° | 120.0° |
| CAX | CAY | CBA | 119.0° | 118.3° |
| CAX | CAY | CAP | 124.4° | 120.8° |
| OAF | CAT | OAB | 122.2° | 120.0° |
| CAT | OAB | H1 | 109.5° | 117.0° |
| CAY | CBA | OAE | 123.7° | 120.5° |
| CBA | CAY | CAP | 116.5° | 120.8° |
| CAY | CAP | CAN | 113.6° | 109.5° |
| CAY | CAP | H4 | 108.4° | 109.5° |
| CAY | CAP | H5 | 108.4° | 109.4° |
| CAP | CAN | CAM | 109.7° | 109.5° |
| CAN | CAP | H4 | 108.4° | 109.5° |
| CAN | CAP | H5 | 108.4° | 109.5° |
| CAP | CAN | H6 | 109.4° | 109.5° |
| CAP | CAN | H7 | 109.4° | 109.5° |
| CAN | CAM | CAO | 113.2° | 109.5° |
| CAM | CAN | H6 | 109.4° | 109.5° |
| CAM | CAN | H7 | 109.4° | 109.4° |
| CAN | CAM | H8 | 108.5° | 109.5° |
| CAN | CAM | H9 | 108.6° | 109.4° |
| CAM | CAO | CAV | 108.8° | 109.5° |
| CAO | CAM | H8 | 108.6° | 109.5° |
| CAO | CAM | H9 | 108.5° | 109.5° |
| CAM | CAO | H10 | 109.6° | 109.5° |
| CAM | CAO | H11 | 109.6° | 109.4° |
| OAC | CAU | OAS | 122.5° | 120.0° |
| OAC | CAU | CAW | 121.5° | 120.0° |
| CAA | OAS | CAU | 110.7° | 117.0° |
| OAS | CAA | H18 | 109.5° | 109.5° |
| OAS | CAA | H19 | 109.5° | 109.5° |
| OAS | CAA | H20 | 109.5° | 109.5° |
| CAK | CAI | CAV | 119.6° | 120.9° |
| CAI | CAK | CBC | 121.8° | 119.6° |
| CAK | CAI | H13 | 120.2° | 119.6° |
| CAI | CAK | H14 | 119.1° | 120.2° |
| CAI | CAV | CAO | 123.8° | 119.5° |
| CAI | CAV | CAL | 117.0° | 121.0° |
| CAV | CAI | H13 | 120.2° | 119.5° |
| CAK | CBC | CAW | 123.0° | 121.5° |
| CAK | CBC | CBB | 117.6° | 119.6° |
| CBC | CAK | H14 | 119.1° | 120.2° |
| OAS | CAU | CAW | 115.1° | 120.0° |
| CAU | CAW | CBC | 123.8° | 120.7° |
| CAU | CAW | CAH | 117.1° | 120.7° |
| CAO | CAV | CAL | 119.3° | 119.5° |
| CAV | CAO | H10 | 109.7° | 109.5° |
| CAV | CAO | H11 | 109.7° | 109.5° |
| CAV | CAL | CBB | 124.1° | 119.6° |
| CAV | CAL | H12 | 117.9° | 120.2° |
| CAW | CBC | CBB | 119.4° | 118.9° |
| CBC | CAW | CAH | 119.1° | 118.6° |
| CBC | CBB | CAL | 119.9° | 119.2° |
| CBC | CBB | CAJ | 120.7° | 119.4° |
| CAW | CAH | CAG | 121.0° | 120.6° |
| CAW | CAH | H17 | 119.5° | 119.7° |
| CAL | CBB | CAJ | 119.3° | 121.3° |
| CBB | CAL | H12 | 118.0° | 120.2° |
| CBB | CAJ | CAG | 120.5° | 120.7° |
| CBB | CAJ | H15 | 119.7° | 119.7° |
| CAH | CAG | CAJ | 119.3° | 121.8° |
| CAH | CAG | H16 | 120.3° | 119.1° |
| CAG | CAH | H17 | 119.5° | 119.7° |
| CAG | CAJ | H15 | 119.8° | 119.6° |
| CAJ | CAG | H16 | 120.4° | 119.1° |
| H4 | CAP | H5 | 109.5° | 109.5° |
| H6 | CAN | H7 | 109.5° | 109.4° |
| H8 | CAM | H9 | 109.4° | 109.4° |
| H10 | CAO | H11 | 109.5° | 109.4° |
| H18 | CAA | H19 | 109.5° | 109.5° |
| H18 | CAA | H20 | 109.5° | 109.5° |
| H19 | CAA | H20 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAZ | NAQ | NAR | 179.9° | 179.9° |
| OAD | CAZ | NAQ | CAX | 179.2° | 180.0° |
| OAD | CAZ | NAR | CBA | 177.9° | 180.0° |
| OAD | CAZ | NAR | H2 | 2.1° | 0.1° |
| OAD | CAZ | NAQ | H21 | 0.9° | 0.0° |
| CAZ | NAQ | CAX | H21 | 180.0° | 180.0° |
| NAQ | CAZ | NAR | CBA | 2.0° | 0.1° |
| CAZ | NAQ | CAX | CAT | 174.8° | 180.0° |
| CAZ | NAQ | CAX | CAY | 4.1° | 0.3° |
| NAQ | CAZ | NAR | H2 | 178.0° | 180.0° |
| NAR | CAZ | NAQ | CAX | 0.9° | 0.1° |
| CAZ | NAR | CBA | H2 | 180.0° | 179.9° |
| CAZ | NAR | CBA | CAY | 1.8° | 0.3° |
| CAZ | NAR | CBA | OAE | 176.7° | 180.0° |
| NAR | CAZ | NAQ | H21 | 179.0° | 179.9° |
| NAQ | CAX | CAT | CAY | 170.4° | 179.7° |
| NAQ | CAX | CAT | OAF | 135.7° | 174.0° |
| NAQ | CAX | CAT | OAB | 46.4° | 6.0° |
| NAQ | CAX | CAY | CBA | 4.2° | 0.6° |
| NAQ | CAX | CAY | CAP | 178.8° | 179.7° |
| NAR | CBA | CAY | CAX | 1.4° | 0.6° |
| NAR | CBA | CAY | OAE | 178.5° | 179.7° |
| NAR | CBA | CAY | CAP | 178.6° | 179.8° |
| CAX | CAT | OAF | OAB | 177.7° | 180.0° |
| CAT | CAX | CAY | CBA | 174.1° | 179.8° |
| CAT | CAX | CAY | CAP | 9.0° | 0.1° |
| CAX | CAT | OAB | H1 | 177.9° | 180.0° |
| CAT | CAX | NAQ | H21 | 5.1° | 0.0° |
| CAY | CAX | CAT | OAF | 53.8° | 6.3° |
| CAY | CAX | CAT | OAB | 124.0° | 173.7° |
| CAX | CAY | CBA | CAP | 177.2° | 179.7° |
| CAX | CAY | CBA | OAE | 179.9° | 179.7° |
| CAX | CAY | CAP | CAN | 106.6° | 91.3° |
| CAX | CAY | CAP | H4 | 14.0° | 148.6° |
| CAX | CAY | CAP | H5 | 132.8° | 28.7° |
| CAY | CAX | NAQ | H21 | 175.9° | 179.7° |
| OAF | CAT | OAB | H1 | 0.0° | 0.0° |
| CBA | CAY | CAP | CAN | 76.4° | 88.4° |
| CAY | CBA | NAR | H2 | 178.2° | 179.8° |
| CBA | CAY | CAP | H4 | 163.0° | 31.7° |
| CBA | CAY | CAP | H5 | 44.2° | 151.6° |
| OAE | CBA | CAY | CAP | 2.9° | 0.1° |
| OAE | CBA | NAR | H2 | 3.3° | 0.1° |
| CAY | CAP | CAN | H4 | 120.6° | 120.0° |
| CAY | CAP | CAN | H5 | 120.6° | 120.0° |
| CAY | CAP | CAN | CAM | 67.9° | 180.0° |
| CAY | CAP | H4 | H5 | 118.1° | 119.9° |
| CAY | CAP | CAN | H6 | 172.1° | 60.0° |
| CAY | CAP | CAN | H7 | 52.2° | 60.0° |
| CAP | CAN | CAM | H6 | 120.0° | 120.1° |
| CAP | CAN | CAM | H7 | 120.0° | 120.0° |
| CAP | CAN | CAM | CAO | 175.5° | 180.0° |
| CAN | CAP | H4 | H5 | 118.1° | 120.0° |
| CAP | CAN | H6 | H7 | 119.9° | 120.0° |
| CAP | CAN | CAM | H8 | 63.9° | 60.0° |
| CAP | CAN | CAM | H9 | 54.9° | 60.0° |
| CAN | CAM | CAO | H8 | 120.6° | 120.1° |
| CAN | CAM | CAO | H9 | 120.6° | 120.0° |
| CAN | CAM | CAO | CAV | 167.2° | 180.0° |
| CAM | CAN | CAP | H4 | 52.8° | 60.0° |
| CAM | CAN | CAP | H5 | 171.5° | 60.0° |
| CAM | CAN | H6 | H7 | 119.9° | 119.9° |
| CAN | CAM | H8 | H9 | 118.3° | 120.0° |
| CAN | CAM | CAO | H10 | 47.3° | 59.9° |
| CAN | CAM | CAO | H11 | 72.9° | 60.0° |
| CAM | CAO | CAV | CAI | 73.9° | 90.2° |
| CAM | CAO | CAV | H10 | 119.9° | 120.0° |
| CAM | CAO | CAV | H11 | 119.9° | 120.0° |
| CAM | CAO | CAV | CAL | 106.0° | 90.0° |
| CAO | CAM | CAN | H6 | 55.5° | 59.9° |
| CAO | CAM | CAN | H7 | 64.5° | 60.0° |
| CAO | CAM | H8 | H9 | 118.3° | 120.0° |
| CAM | CAO | H10 | H11 | 120.3° | 119.9° |
| OAC | CAU | OAS | CAA | 21.9° | 0.0° |
| OAC | CAU | OAS | CAW | 169.6° | 180.0° |
| OAC | CAU | CAW | CBC | 23.7° | 5.7° |
| OAC | CAU | CAW | CAH | 155.0° | 174.5° |
| CAA | OAS | CAU | CAW | 147.7° | 180.0° |
| OAS | CAA | H18 | H19 | 120.0° | 120.0° |
| OAS | CAA | H18 | H20 | 120.0° | 120.0° |
| OAS | CAA | H19 | H20 | 120.0° | 120.0° |
| CAK | CAI | CAV | H13 | 180.0° | 179.9° |
| CAI | CAK | CBC | H14 | 180.0° | 180.0° |
| CAK | CAI | CAV | CAO | 178.6° | 180.0° |
| CAK | CAI | CAV | CAL | 1.3° | 0.2° |
| CAI | CAK | CBC | CAW | 178.0° | 180.0° |
| CAI | CAK | CBC | CBB | 1.6° | 0.3° |
| CAV | CAI | CAK | CBC | 2.4° | 0.1° |
| CAI | CAV | CAO | CAL | 179.9° | 179.8° |
| CAI | CAV | CAL | CBB | 0.6° | 0.2° |
| CAI | CAV | CAO | H10 | 166.3° | 149.8° |
| CAI | CAV | CAO | H11 | 46.0° | 29.8° |
| CAI | CAV | CAL | H12 | 179.4° | 179.8° |
| CAV | CAI | CAK | H14 | 177.6° | 179.9° |
| CAK | CBC | CAW | CAU | 2.2° | 0.1° |
| CAK | CBC | CAW | CBB | 179.6° | 179.7° |
| CAK | CBC | CAW | CAH | 179.1° | 179.7° |
| CAK | CBC | CBB | CAL | 0.2° | 0.2° |
| CAK | CBC | CBB | CAJ | 178.0° | 179.7° |
| CBC | CAK | CAI | H13 | 177.6° | 180.0° |
| OAS | CAU | CAW | CBC | 166.6° | 174.2° |
| OAS | CAU | CAW | CAH | 14.7° | 5.6° |
| CAU | OAS | CAA | H18 | 180.0° | 60.0° |
| CAU | OAS | CAA | H19 | 60.0° | 180.0° |
| CAU | OAS | CAA | H20 | 60.0° | 60.0° |
| CAU | CAW | CBC | CAH | 178.7° | 179.8° |
| CAU | CAW | CBC | CBB | 178.2° | 179.7° |
| CAU | CAW | CAH | CAG | 179.5° | 179.7° |
| CAU | CAW | CAH | H17 | 0.5° | 0.3° |
| CAO | CAV | CAL | CBB | 179.5° | 179.9° |
| CAV | CAO | CAM | H8 | 72.3° | 59.9° |
| CAV | CAO | CAM | H9 | 46.6° | 60.0° |
| CAV | CAO | H10 | H11 | 120.4° | 120.0° |
| CAO | CAV | CAL | H12 | 0.5° | 0.0° |
| CAO | CAV | CAI | H13 | 1.4° | 0.1° |
| CAV | CAL | CBB | CBC | 1.4° | 0.0° |
| CAV | CAL | CBB | H12 | 180.0° | 180.0° |
| CAV | CAL | CBB | CAJ | 176.9° | 179.9° |
| CAL | CAV | CAO | H10 | 13.8° | 30.0° |
| CAL | CAV | CAO | H11 | 134.1° | 150.0° |
| CAL | CAV | CAI | H13 | 178.7° | 179.7° |
| CAW | CBC | CBB | CAL | 179.9° | 179.9° |
| CAW | CBC | CBB | CAJ | 1.6° | 0.0° |
| CBC | CAW | CAH | CAG | 0.7° | 0.1° |
| CAW | CBC | CAK | H14 | 2.0° | 0.0° |
| CBC | CAW | CAH | H17 | 179.3° | 179.9° |
| CBB | CBC | CAW | CAH | 0.5° | 0.1° |
| CBC | CBB | CAL | CAJ | 178.3° | 179.9° |
| CBC | CBB | CAJ | CAG | 1.6° | 0.1° |
| CBC | CBB | CAL | H12 | 178.6° | 180.0° |
| CBB | CBC | CAK | H14 | 178.4° | 179.7° |
| CBC | CBB | CAJ | H15 | 178.4° | 180.0° |
| CAW | CAH | CAG | H17 | 180.0° | 180.0° |
| CAW | CAH | CAG | CAJ | 0.7° | 0.0° |
| CAW | CAH | CAG | H16 | 179.3° | 179.9° |
| CAL | CBB | CAJ | CAG | 179.9° | 180.0° |
| CAL | CBB | CAJ | H15 | 0.1° | 0.1° |
| CBB | CAJ | CAG | CAH | 0.4° | 0.1° |
| CBB | CAJ | CAG | H15 | 180.0° | 179.9° |
| CAJ | CBB | CAL | H12 | 3.1° | 0.1° |
| CBB | CAJ | CAG | H16 | 179.6° | 180.0° |
| CAH | CAG | CAJ | H16 | 180.0° | 179.9° |
| CAH | CAG | CAJ | H15 | 179.6° | 180.0° |
| CAJ | CAG | CAH | H17 | 179.3° | 180.0° |
| H4 | CAP | CAN | H6 | 67.3° | 180.0° |
| H4 | CAP | CAN | H7 | 172.8° | 60.0° |
| H5 | CAP | CAN | H6 | 51.5° | 60.0° |
| H5 | CAP | CAN | H7 | 68.4° | 180.0° |
| H6 | CAN | CAM | H8 | 176.0° | 180.0° |
| H6 | CAN | CAM | H9 | 65.1° | 60.0° |
| H7 | CAN | CAM | H8 | 56.1° | 60.1° |
| H7 | CAN | CAM | H9 | 175.0° | 180.0° |
| H8 | CAM | CAO | H10 | 167.8° | 180.0° |
| H8 | CAM | CAO | H11 | 47.6° | 60.1° |
| H9 | CAM | CAO | H10 | 73.3° | 60.1° |
| H9 | CAM | CAO | H11 | 166.5° | 180.0° |
| H13 | CAI | CAK | H14 | 2.4° | 0.0° |
| H15 | CAJ | CAG | H16 | 0.4° | 0.1° |
| H16 | CAG | CAH | H17 | 0.7° | 0.1° |
| H18 | CAA | H19 | H20 | 120.0° | 120.0° |
