W0T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FBA | CAV | sing | 1.40Å | 1.34Å | |
| FAZ | CAW | sing | 1.40Å | 1.32Å | |
| FAY | CAW | sing | 1.40Å | 1.33Å | |
| CAV | CAW | sing | 1.53Å | 1.53Å | |
| CAV | FBB | sing | 1.40Å | 1.34Å | |
| CAV | CAU | sing | 1.53Å | 1.53Å | |
| CAW | FAX | sing | 1.40Å | 1.33Å | |
| FBD | CAU | sing | 1.40Å | 1.32Å | |
| CAU | FBC | sing | 1.40Å | 1.33Å | |
| CAU | CAT | sing | 1.53Å | 1.54Å | |
| FBF | CAT | sing | 1.40Å | 1.33Å | |
| CAT | FBE | sing | 1.40Å | 1.33Å | |
| CAT | CAS | sing | 1.53Å | 1.53Å | |
| FBH | CAS | sing | 1.40Å | 1.33Å | |
| CAS | FBG | sing | 1.40Å | 1.34Å | |
| CAS | CAR | sing | 1.53Å | 1.53Å | |
| OAQ | CAP | doub | 1.21Å | 1.24Å | |
| CAP | CAR | sing | 1.51Å | 1.54Å | |
| CAP | N | sing | 1.35Å | 1.35Å | |
| CAR | FBJ | sing | 1.40Å | 1.32Å | |
| CAR | FBI | sing | 1.40Å | 1.34Å | |
| CA | N | sing | 1.46Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CB | CG | sing | 1.51Å | 1.54Å | |
| CG | CD1 | doub | 1.34Å | 1.33Å | Aromatic |
| CG | CD2 | sing | 1.47Å | 1.33Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.34Å | Aromatic |
| CE3 | CD2 | sing | 1.40Å | 1.34Å | Aromatic |
| CE3 | CZ3 | doub | 1.37Å | 1.39Å | Aromatic |
| CD2 | CE2 | doub | 1.41Å | 1.34Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.34Å | Aromatic |
| CZ3 | CH2 | sing | 1.39Å | 1.38Å | Aromatic |
| CE2 | CZ2 | sing | 1.39Å | 1.34Å | Aromatic |
| CH2 | CZ2 | doub | 1.38Å | 1.40Å | Aromatic |
| N | H1 | sing | 0.97Å | 1.00Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| OXT | H3 | sing | 0.97Å | 0.95Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CE3 | H6 | sing | 1.08Å | 1.08Å | |
| CZ3 | H7 | sing | 1.08Å | 1.08Å | |
| CH2 | H8 | sing | 1.08Å | 1.08Å | |
| CZ2 | H9 | sing | 1.08Å | 1.08Å | |
| NE1 | H10 | sing | 0.97Å | 1.00Å | |
| CD1 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FBA | CAV | CAW | 110.4° | 109.5° |
| FBA | CAV | FBB | 110.0° | 109.5° |
| FBA | CAV | CAU | 107.5° | 109.5° |
| FAZ | CAW | FAY | 111.4° | 109.4° |
| FAZ | CAW | CAV | 109.1° | 109.4° |
| FAZ | CAW | FAX | 105.7° | 109.5° |
| FAY | CAW | CAV | 108.0° | 109.5° |
| FAY | CAW | FAX | 110.9° | 109.5° |
| CAW | CAV | FBB | 108.1° | 109.5° |
| CAW | CAV | CAU | 109.3° | 109.5° |
| CAV | CAW | FAX | 111.9° | 109.5° |
| FBB | CAV | CAU | 111.7° | 109.4° |
| CAV | CAU | FBD | 107.7° | 109.4° |
| CAV | CAU | FBC | 109.9° | 109.4° |
| CAV | CAU | CAT | 113.0° | 109.5° |
| FBD | CAU | FBC | 108.3° | 109.5° |
| FBD | CAU | CAT | 107.8° | 109.5° |
| FBC | CAU | CAT | 110.0° | 109.5° |
| CAU | CAT | FBF | 108.1° | 109.5° |
| CAU | CAT | FBE | 110.8° | 109.5° |
| CAU | CAT | CAS | 108.3° | 109.5° |
| FBF | CAT | FBE | 110.3° | 109.5° |
| FBF | CAT | CAS | 110.6° | 109.5° |
| FBE | CAT | CAS | 108.7° | 109.5° |
| CAT | CAS | FBH | 109.0° | 109.5° |
| CAT | CAS | FBG | 107.4° | 109.5° |
| CAT | CAS | CAR | 113.6° | 109.5° |
| FBH | CAS | FBG | 111.2° | 109.5° |
| FBH | CAS | CAR | 106.6° | 109.5° |
| FBG | CAS | CAR | 109.2° | 109.5° |
| CAS | CAR | CAP | 110.8° | 109.5° |
| CAS | CAR | FBJ | 106.3° | 109.5° |
| CAS | CAR | FBI | 110.4° | 109.5° |
| OAQ | CAP | CAR | 120.5° | 120.0° |
| OAQ | CAP | N | 124.6° | 120.0° |
| CAR | CAP | N | 114.8° | 120.0° |
| CAP | CAR | FBJ | 108.8° | 109.5° |
| CAP | CAR | FBI | 110.5° | 109.5° |
| CAP | N | CA | 122.2° | 120.0° |
| CAP | N | H1 | 118.9° | 120.0° |
| FBJ | CAR | FBI | 109.9° | 109.5° |
| N | CA | C | 111.1° | 109.5° |
| N | CA | CB | 109.0° | 109.5° |
| CA | N | H1 | 118.9° | 120.0° |
| N | CA | H2 | 107.8° | 109.5° |
| C | CA | CB | 114.3° | 109.4° |
| CA | C | O | 116.5° | 120.0° |
| CA | C | OXT | 118.3° | 120.0° |
| C | CA | H2 | 107.0° | 109.5° |
| CA | CB | CG | 112.1° | 109.5° |
| CB | CA | H2 | 107.3° | 109.5° |
| CA | CB | H4 | 108.8° | 109.5° |
| CA | CB | H5 | 108.8° | 109.5° |
| O | C | OXT | 125.0° | 120.0° |
| C | OXT | H3 | 109.5° | 117.0° |
| CB | CG | CD1 | 128.1° | 126.5° |
| CB | CG | CD2 | 122.3° | 126.5° |
| CG | CB | H4 | 108.8° | 109.5° |
| CG | CB | H5 | 108.8° | 109.4° |
| CD1 | CG | CD2 | 109.6° | 107.0° |
| CG | CD1 | NE1 | 106.8° | 110.0° |
| CG | CD1 | H11 | 126.6° | 125.0° |
| CG | CD2 | CE3 | 131.5° | 134.0° |
| CG | CD2 | CE2 | 107.0° | 106.0° |
| CD1 | NE1 | CE2 | 108.5° | 109.9° |
| CD1 | NE1 | H10 | 125.7° | 125.1° |
| NE1 | CD1 | H11 | 126.6° | 125.0° |
| CD2 | CE3 | CZ3 | 121.0° | 119.7° |
| CE3 | CD2 | CE2 | 121.4° | 120.0° |
| CD2 | CE3 | H6 | 119.5° | 120.1° |
| CE3 | CZ3 | CH2 | 117.5° | 120.5° |
| CZ3 | CE3 | H6 | 119.5° | 120.2° |
| CE3 | CZ3 | H7 | 121.2° | 119.7° |
| CD2 | CE2 | NE1 | 108.0° | 107.1° |
| CD2 | CE2 | CZ2 | 120.2° | 119.3° |
| NE1 | CE2 | CZ2 | 131.8° | 133.6° |
| CE2 | NE1 | H10 | 125.7° | 125.0° |
| CZ3 | CH2 | CZ2 | 119.6° | 120.7° |
| CH2 | CZ3 | H7 | 121.3° | 119.7° |
| CZ3 | CH2 | H8 | 120.2° | 119.7° |
| CE2 | CZ2 | CH2 | 120.3° | 119.8° |
| CE2 | CZ2 | H9 | 119.8° | 120.0° |
| CZ2 | CH2 | H8 | 120.2° | 119.7° |
| CH2 | CZ2 | H9 | 119.9° | 120.1° |
| H4 | CB | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FBA | CAV | CAW | FAZ | 74.6° | 60.0° |
| FBA | CAV | CAW | FAY | 46.5° | 180.0° |
| FBA | CAV | CAW | FBB | 120.3° | 120.0° |
| FBA | CAV | CAW | CAU | 118.0° | 120.0° |
| FBA | CAV | FBB | CAU | 119.2° | 120.0° |
| FBA | CAV | CAW | FAX | 168.8° | 60.0° |
| FBA | CAV | CAU | FBD | 28.8° | 60.0° |
| FBA | CAV | CAU | FBC | 89.0° | 180.0° |
| FBA | CAV | CAU | CAT | 147.7° | 60.0° |
| FAZ | CAW | FAY | CAV | 119.7° | 119.9° |
| FAZ | CAW | FAY | FAX | 117.3° | 120.0° |
| FAZ | CAW | CAV | FAX | 116.5° | 120.0° |
| FAZ | CAW | CAV | FBB | 45.7° | 179.9° |
| FAZ | CAW | CAV | CAU | 167.4° | 60.0° |
| FAY | CAW | CAV | FAX | 122.3° | 120.0° |
| FAY | CAW | CAV | FBB | 166.9° | 60.0° |
| FAY | CAW | CAV | CAU | 71.4° | 60.0° |
| CAW | CAV | FBB | CAU | 120.2° | 120.0° |
| CAW | CAV | CAU | FBD | 148.6° | 60.0° |
| CAW | CAV | CAU | FBC | 30.8° | 59.9° |
| CAW | CAV | CAU | CAT | 92.5° | 180.0° |
| FBB | CAV | CAW | FAX | 70.8° | 60.0° |
| FBB | CAV | CAU | FBD | 91.9° | 180.0° |
| FBB | CAV | CAU | FBC | 150.3° | 60.1° |
| FBB | CAV | CAU | CAT | 27.0° | 60.0° |
| CAU | CAV | CAW | FAX | 50.9° | 180.0° |
| CAV | CAU | FBD | FBC | 118.8° | 119.9° |
| CAV | CAU | FBD | CAT | 122.2° | 120.0° |
| CAV | CAU | FBC | CAT | 125.0° | 120.0° |
| CAV | CAU | CAT | FBF | 61.9° | 60.0° |
| CAV | CAU | CAT | FBE | 59.1° | 60.0° |
| CAV | CAU | CAT | CAS | 178.2° | 180.0° |
| FBD | CAU | FBC | CAT | 117.6° | 120.0° |
| FBD | CAU | CAT | FBF | 57.0° | 180.0° |
| FBD | CAU | CAT | FBE | 178.0° | 60.0° |
| FBD | CAU | CAT | CAS | 62.9° | 60.0° |
| FBC | CAU | CAT | FBF | 174.9° | 60.0° |
| FBC | CAU | CAT | FBE | 64.1° | 180.0° |
| FBC | CAU | CAT | CAS | 55.0° | 60.0° |
| CAU | CAT | FBF | FBE | 121.3° | 120.0° |
| CAU | CAT | FBF | CAS | 118.4° | 120.0° |
| CAU | CAT | FBE | CAS | 118.9° | 120.0° |
| CAU | CAT | CAS | FBH | 62.1° | 60.0° |
| CAU | CAT | CAS | FBG | 58.5° | 60.0° |
| CAU | CAT | CAS | CAR | 179.3° | 180.0° |
| FBF | CAT | FBE | CAS | 121.5° | 120.0° |
| FBF | CAT | CAS | FBH | 56.2° | 180.0° |
| FBF | CAT | CAS | FBG | 176.7° | 60.0° |
| FBF | CAT | CAS | CAR | 62.5° | 60.0° |
| FBE | CAT | CAS | FBH | 177.5° | 60.0° |
| FBE | CAT | CAS | FBG | 62.0° | 180.0° |
| FBE | CAT | CAS | CAR | 58.8° | 60.0° |
| CAT | CAS | FBH | FBG | 118.2° | 120.0° |
| CAT | CAS | FBH | CAR | 122.9° | 120.0° |
| CAT | CAS | FBG | CAR | 123.5° | 120.0° |
| CAT | CAS | CAR | CAP | 49.3° | 180.0° |
| CAT | CAS | CAR | FBJ | 167.4° | 60.0° |
| CAT | CAS | CAR | FBI | 73.5° | 60.0° |
| FBH | CAS | FBG | CAR | 117.3° | 120.0° |
| FBH | CAS | CAR | CAP | 70.7° | 60.0° |
| FBH | CAS | CAR | FBJ | 47.4° | 180.0° |
| FBH | CAS | CAR | FBI | 166.5° | 60.0° |
| FBG | CAS | CAR | CAP | 169.1° | 60.0° |
| FBG | CAS | CAR | FBJ | 72.8° | 60.0° |
| FBG | CAS | CAR | FBI | 46.3° | 180.0° |
| CAS | CAR | CAP | OAQ | 59.4° | 25.0° |
| CAS | CAR | CAP | FBJ | 116.5° | 120.0° |
| CAS | CAR | CAP | FBI | 122.7° | 120.0° |
| CAS | CAR | CAP | N | 117.5° | 155.0° |
| CAS | CAR | FBJ | FBI | 119.5° | 120.0° |
| OAQ | CAP | CAR | N | 176.9° | 180.0° |
| OAQ | CAP | CAR | FBJ | 57.1° | 145.0° |
| OAQ | CAP | CAR | FBI | 177.8° | 95.0° |
| OAQ | CAP | N | CA | 0.8° | 0.0° |
| OAQ | CAP | N | H1 | 179.2° | 179.9° |
| CAP | CAR | FBJ | FBI | 121.2° | 120.0° |
| CAR | CAP | N | CA | 177.6° | 180.0° |
| CAR | CAP | N | H1 | 2.4° | 0.1° |
| N | CAP | CAR | FBJ | 126.0° | 35.0° |
| N | CAP | CAR | FBI | 5.2° | 85.0° |
| CAP | N | CA | H1 | 180.0° | 179.9° |
| CAP | N | CA | C | 163.4° | 85.0° |
| CAP | N | CA | CB | 69.8° | 155.0° |
| CAP | N | CA | H2 | 46.4° | 35.0° |
| N | CA | C | CB | 123.9° | 120.0° |
| N | CA | C | H2 | 117.5° | 120.0° |
| N | CA | CB | H2 | 116.5° | 120.0° |
| N | CA | C | O | 12.3° | 0.0° |
| N | CA | C | OXT | 171.8° | 180.0° |
| N | CA | CB | CG | 78.5° | 65.0° |
| N | CA | CB | H4 | 161.1° | 55.0° |
| N | CA | CB | H5 | 41.8° | 175.1° |
| C | CA | CB | H2 | 118.5° | 120.0° |
| CA | C | O | OXT | 175.5° | 180.0° |
| C | CA | CB | CG | 46.5° | 175.0° |
| C | CA | N | H1 | 16.6° | 95.1° |
| CA | C | OXT | H3 | 175.5° | 179.9° |
| C | CA | CB | H4 | 73.9° | 65.0° |
| C | CA | CB | H5 | 166.9° | 55.1° |
| CB | CA | C | O | 136.2° | 120.0° |
| CB | CA | C | OXT | 47.9° | 60.0° |
| CA | CB | CG | H4 | 120.4° | 120.0° |
| CA | CB | CG | H5 | 120.4° | 120.0° |
| CA | CB | CG | CD1 | 33.0° | 95.1° |
| CA | CB | CG | CD2 | 150.2° | 85.3° |
| CB | CA | N | H1 | 110.2° | 24.9° |
| CA | CB | H4 | H5 | 118.8° | 120.1° |
| O | C | CA | H2 | 105.1° | 120.0° |
| O | C | OXT | H3 | 0.0° | 0.0° |
| OXT | C | CA | H2 | 70.7° | 60.0° |
| CB | CG | CD1 | CD2 | 177.1° | 179.7° |
| CB | CG | CD1 | NE1 | 178.7° | 179.9° |
| CB | CG | CD2 | CE3 | 2.6° | 0.1° |
| CB | CG | CD2 | CE2 | 178.9° | 180.0° |
| CG | CB | CA | H2 | 165.0° | 55.0° |
| CG | CB | H4 | H5 | 118.8° | 119.9° |
| CB | CG | CD1 | H11 | 1.3° | 0.1° |
| CG | CD1 | NE1 | H11 | 180.0° | 179.8° |
| CD1 | CG | CD2 | CE3 | 179.9° | 179.8° |
| CD1 | CG | CD2 | CE2 | 1.5° | 0.3° |
| CG | CD1 | NE1 | CE2 | 1.0° | 0.4° |
| CD1 | CG | CB | H4 | 153.4° | 144.9° |
| CD1 | CG | CB | H5 | 87.3° | 24.9° |
| CG | CD1 | NE1 | H10 | 179.0° | 179.8° |
| CD2 | CG | CD1 | NE1 | 1.6° | 0.4° |
| CG | CD2 | CE3 | CE2 | 178.4° | 179.9° |
| CG | CD2 | CE3 | CZ3 | 178.6° | 180.0° |
| CG | CD2 | CE2 | NE1 | 0.9° | 0.1° |
| CG | CD2 | CE2 | CZ2 | 179.0° | 180.0° |
| CD2 | CG | CB | H4 | 29.8° | 34.7° |
| CD2 | CG | CB | H5 | 89.4° | 154.7° |
| CG | CD2 | CE3 | H6 | 1.4° | 0.1° |
| CD2 | CG | CD1 | H11 | 178.5° | 179.8° |
| CD1 | NE1 | CE2 | CD2 | 0.1° | 0.2° |
| CD1 | NE1 | CE2 | H10 | 180.0° | 179.8° |
| CD1 | NE1 | CE2 | CZ2 | 179.9° | 179.8° |
| CD2 | CE3 | CZ3 | H6 | 180.0° | 180.0° |
| CE3 | CD2 | CE2 | NE1 | 179.7° | 180.0° |
| CD2 | CE3 | CZ3 | CH2 | 0.1° | 0.1° |
| CE3 | CD2 | CE2 | CZ2 | 0.2° | 0.0° |
| CD2 | CE3 | CZ3 | H7 | 179.9° | 180.0° |
| CZ3 | CE3 | CD2 | CE2 | 0.2° | 0.0° |
| CE3 | CZ3 | CH2 | H7 | 180.0° | 179.9° |
| CE3 | CZ3 | CH2 | CZ2 | 0.1° | 0.0° |
| CE3 | CZ3 | CH2 | H8 | 179.9° | 180.0° |
| CD2 | CE2 | NE1 | CZ2 | 179.9° | 180.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.2° | 0.0° |
| CE2 | CD2 | CE3 | H6 | 179.8° | 180.0° |
| CD2 | CE2 | CZ2 | H9 | 179.8° | 180.0° |
| CD2 | CE2 | NE1 | H10 | 179.9° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 179.7° | 180.0° |
| NE1 | CE2 | CZ2 | H9 | 0.3° | 0.0° |
| CE2 | NE1 | CD1 | H11 | 179.0° | 179.8° |
| CZ3 | CH2 | CZ2 | CE2 | 0.1° | 0.0° |
| CZ3 | CH2 | CZ2 | H8 | 180.0° | 180.0° |
| CH2 | CZ3 | CE3 | H6 | 179.8° | 180.0° |
| CZ3 | CH2 | CZ2 | H9 | 179.9° | 180.0° |
| CE2 | CZ2 | CH2 | H9 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | H8 | 179.9° | 180.0° |
| CZ2 | CE2 | NE1 | H10 | 0.1° | 0.0° |
| CZ2 | CH2 | CZ3 | H7 | 179.9° | 180.0° |
| H1 | N | CA | H2 | 133.6° | 144.9° |
| H2 | CA | CB | H4 | 44.6° | 175.0° |
| H2 | CA | CB | H5 | 74.6° | 64.9° |
| H6 | CE3 | CZ3 | H7 | 0.1° | 0.0° |
| H7 | CZ3 | CH2 | H8 | 0.1° | 0.1° |
| H8 | CH2 | CZ2 | H9 | 0.1° | 0.0° |
| H10 | NE1 | CD1 | H11 | 1.0° | 0.0° |
