W06
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAY | CAV | sing | 1.40Å | 1.35Å | |
| FAW | CAV | sing | 1.40Å | 1.31Å | |
| CAV | FAX | sing | 1.40Å | 1.34Å | |
| CAV | CAU | sing | 1.53Å | 1.52Å | |
| FAZ | CAU | sing | 1.40Å | 0.98Å | |
| CAU | FBA | sing | 1.40Å | 1.54Å | |
| CAU | CAT | sing | 1.53Å | 1.60Å | |
| FBB | CAT | sing | 1.40Å | 1.41Å | |
| CAT | FBC | sing | 1.40Å | 1.27Å | |
| CAT | CAS | sing | 1.53Å | 1.56Å | |
| FBG | CAR | sing | 1.40Å | 1.38Å | |
| FBE | CAS | sing | 1.40Å | 1.39Å | |
| CAS | CAR | sing | 1.53Å | 1.51Å | |
| CAS | FBD | sing | 1.40Å | 1.37Å | |
| OAQ | CAP | doub | 1.21Å | 1.23Å | |
| CAR | CAP | sing | 1.51Å | 1.56Å | |
| CAR | FBF | sing | 1.40Å | 1.34Å | |
| CAP | N | sing | 1.35Å | 1.37Å | |
| N | CA | sing | 1.47Å | 1.50Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| O | C | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| CB | CG | sing | 1.51Å | 1.54Å | |
| CG | CD1 | doub | 1.34Å | 1.33Å | Aromatic |
| CG | CD2 | sing | 1.46Å | 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 | 1.39Å | 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) |
| FAY | CAV | FAW | 109.1° | 109.5° |
| FAY | CAV | FAX | 106.7° | 109.5° |
| FAY | CAV | CAU | 107.1° | 109.5° |
| FAW | CAV | FAX | 109.6° | 109.5° |
| FAW | CAV | CAU | 112.1° | 109.4° |
| FAX | CAV | CAU | 112.0° | 109.4° |
| CAV | CAU | FAZ | 117.1° | 109.4° |
| CAV | CAU | FBA | 108.2° | 109.5° |
| CAV | CAU | CAT | 105.2° | 109.5° |
| FAZ | CAU | FBA | 119.9° | 109.5° |
| FAZ | CAU | CAT | 101.3° | 109.5° |
| FBA | CAU | CAT | 102.7° | 109.5° |
| CAU | CAT | FBB | 108.2° | 109.4° |
| CAU | CAT | FBC | 111.4° | 109.5° |
| CAU | CAT | CAS | 114.8° | 109.5° |
| FBB | CAT | FBC | 108.6° | 109.5° |
| FBB | CAT | CAS | 110.8° | 109.5° |
| FBC | CAT | CAS | 102.8° | 109.5° |
| CAT | CAS | FBE | 110.5° | 109.5° |
| CAT | CAS | CAR | 112.9° | 109.5° |
| CAT | CAS | FBD | 110.6° | 109.5° |
| FBG | CAR | CAS | 104.7° | 109.5° |
| FBG | CAR | CAP | 108.0° | 109.5° |
| FBG | CAR | FBF | 111.3° | 109.5° |
| FBE | CAS | CAR | 107.2° | 109.5° |
| FBE | CAS | FBD | 110.2° | 109.5° |
| CAR | CAS | FBD | 105.2° | 109.4° |
| CAS | CAR | CAP | 114.7° | 109.5° |
| CAS | CAR | FBF | 108.4° | 109.5° |
| OAQ | CAP | CAR | 116.6° | 120.0° |
| OAQ | CAP | N | 123.6° | 120.0° |
| CAP | CAR | FBF | 109.7° | 109.5° |
| CAR | CAP | N | 119.8° | 120.0° |
| CAP | N | CA | 121.7° | 120.0° |
| CAP | N | H1 | 119.1° | 120.1° |
| N | CA | C | 112.8° | 109.5° |
| N | CA | CB | 112.4° | 109.5° |
| CA | N | H1 | 119.2° | 120.0° |
| N | CA | H2 | 107.0° | 109.5° |
| C | CA | CB | 111.1° | 109.5° |
| CA | C | O | 117.0° | 120.0° |
| CA | C | OXT | 117.9° | 120.0° |
| C | CA | H2 | 106.3° | 109.5° |
| CA | CB | CG | 112.6° | 109.4° |
| CB | CA | H2 | 106.7° | 109.5° |
| CA | CB | H4 | 108.7° | 109.5° |
| CA | CB | H5 | 108.7° | 109.5° |
| O | C | OXT | 125.0° | 119.9° |
| C | OXT | H3 | 109.5° | 117.0° |
| CB | CG | CD1 | 128.9° | 126.5° |
| CB | CG | CD2 | 121.5° | 126.5° |
| CG | CB | H4 | 108.7° | 109.5° |
| CG | CB | H5 | 108.7° | 109.5° |
| CD1 | CG | CD2 | 109.6° | 107.0° |
| CG | CD1 | NE1 | 106.8° | 110.0° |
| CG | CD1 | H11 | 126.6° | 125.0° |
| CG | CD2 | CE3 | 131.3° | 134.1° |
| CG | CD2 | CE2 | 107.3° | 106.1° |
| CD1 | NE1 | CE2 | 108.7° | 109.8° |
| CD1 | NE1 | H10 | 125.7° | 125.1° |
| NE1 | CD1 | H11 | 126.6° | 125.0° |
| CD2 | CE3 | CZ3 | 120.8° | 119.8° |
| CE3 | CD2 | CE2 | 121.3° | 119.9° |
| CD2 | CE3 | H6 | 119.6° | 120.1° |
| CE3 | CZ3 | CH2 | 117.7° | 120.5° |
| CZ3 | CE3 | H6 | 119.6° | 120.1° |
| CE3 | CZ3 | H7 | 121.2° | 119.8° |
| CD2 | CE2 | NE1 | 107.6° | 107.1° |
| CD2 | CE2 | CZ2 | 120.6° | 119.4° |
| NE1 | CE2 | CZ2 | 131.8° | 133.5° |
| CE2 | NE1 | H10 | 125.6° | 125.0° |
| CZ3 | CH2 | CZ2 | 119.4° | 120.7° |
| CH2 | CZ3 | H7 | 121.2° | 119.7° |
| CZ3 | CH2 | H8 | 120.3° | 119.7° |
| CE2 | CZ2 | CH2 | 120.2° | 119.8° |
| CE2 | CZ2 | H9 | 119.9° | 120.1° |
| CZ2 | CH2 | H8 | 120.3° | 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) |
| FAY | CAV | FAW | FAX | 116.5° | 120.1° |
| FAY | CAV | FAW | CAU | 118.5° | 120.0° |
| FAY | CAV | FAX | CAU | 117.0° | 120.0° |
| FAY | CAV | CAU | FAZ | 90.2° | 60.0° |
| FAY | CAV | CAU | FBA | 49.1° | 180.0° |
| FAY | CAV | CAU | CAT | 158.3° | 60.0° |
| FAW | CAV | FAX | CAU | 125.1° | 120.0° |
| FAW | CAV | CAU | FAZ | 29.5° | 60.0° |
| FAW | CAV | CAU | FBA | 168.7° | 60.0° |
| FAW | CAV | CAU | CAT | 82.0° | 180.0° |
| FAX | CAV | CAU | FAZ | 153.1° | 180.0° |
| FAX | CAV | CAU | FBA | 67.6° | 60.0° |
| FAX | CAV | CAU | CAT | 41.6° | 60.0° |
| CAV | CAU | FAZ | FBA | 134.3° | 120.0° |
| CAV | CAU | FAZ | CAT | 113.7° | 120.0° |
| CAV | CAU | FBA | CAT | 111.0° | 120.0° |
| CAV | CAU | CAT | FBB | 71.0° | 60.0° |
| CAV | CAU | CAT | FBC | 48.3° | 60.0° |
| CAV | CAU | CAT | CAS | 164.7° | 180.0° |
| FAZ | CAU | FBA | CAT | 111.2° | 120.0° |
| FAZ | CAU | CAT | FBB | 51.4° | 180.0° |
| FAZ | CAU | CAT | FBC | 170.7° | 60.0° |
| FAZ | CAU | CAT | CAS | 72.9° | 60.0° |
| FBA | CAU | CAT | FBB | 175.9° | 60.0° |
| FBA | CAU | CAT | FBC | 64.8° | 180.0° |
| FBA | CAU | CAT | CAS | 51.6° | 60.0° |
| CAU | CAT | FBB | FBC | 121.1° | 120.0° |
| CAU | CAT | FBB | CAS | 126.7° | 120.0° |
| CAU | CAT | FBC | CAS | 123.5° | 120.0° |
| CAU | CAT | CAS | FBE | 7.5° | 60.0° |
| CAU | CAT | CAS | CAR | 112.6° | 180.0° |
| CAU | CAT | CAS | FBD | 129.8° | 60.1° |
| FBB | CAT | FBC | CAS | 117.5° | 120.0° |
| FBB | CAT | CAS | FBE | 130.4° | 60.0° |
| FBB | CAT | CAS | CAR | 10.3° | 60.1° |
| FBB | CAT | CAS | FBD | 107.3° | 180.0° |
| FBC | CAT | CAS | FBE | 113.7° | 180.0° |
| FBC | CAT | CAS | CAR | 126.2° | 60.0° |
| FBC | CAT | CAS | FBD | 8.6° | 60.0° |
| CAT | CAS | CAR | FBG | 62.5° | 60.0° |
| CAT | CAS | FBE | CAR | 123.5° | 120.0° |
| CAT | CAS | FBE | FBD | 122.5° | 120.0° |
| CAT | CAS | CAR | FBD | 120.8° | 120.0° |
| CAT | CAS | CAR | CAP | 55.7° | 180.0° |
| CAT | CAS | CAR | FBF | 178.7° | 60.0° |
| FBG | CAR | CAS | FBE | 59.5° | 180.0° |
| FBG | CAR | CAS | CAP | 118.2° | 120.0° |
| FBG | CAR | CAS | FBF | 118.8° | 120.0° |
| FBG | CAR | CAS | FBD | 176.7° | 60.0° |
| FBG | CAR | CAP | OAQ | 22.7° | 145.0° |
| FBG | CAR | CAP | FBF | 121.4° | 120.0° |
| FBG | CAR | CAP | N | 156.3° | 35.0° |
| FBE | CAS | CAR | FBD | 117.3° | 120.0° |
| FBE | CAS | CAR | CAP | 177.6° | 60.0° |
| FBE | CAS | CAR | FBF | 59.4° | 60.0° |
| CAS | CAR | CAP | OAQ | 139.0° | 24.9° |
| CAS | CAR | CAP | FBF | 122.3° | 120.0° |
| CAS | CAR | CAP | N | 40.0° | 155.0° |
| FBD | CAS | CAR | CAP | 65.1° | 60.0° |
| FBD | CAS | CAR | FBF | 57.9° | 180.0° |
| OAQ | CAP | CAR | N | 179.0° | 179.9° |
| OAQ | CAP | CAR | FBF | 98.7° | 95.1° |
| OAQ | CAP | N | CA | 3.7° | 0.1° |
| OAQ | CAP | N | H1 | 176.3° | 179.9° |
| CAR | CAP | N | CA | 175.2° | 180.0° |
| CAR | CAP | N | H1 | 4.8° | 0.0° |
| FBF | CAR | CAP | N | 82.3° | 85.0° |
| CAP | N | CA | H1 | 180.0° | 180.0° |
| CAP | N | CA | C | 164.9° | 85.0° |
| CAP | N | CA | CB | 68.5° | 155.0° |
| CAP | N | CA | H2 | 48.4° | 35.0° |
| N | CA | C | CB | 127.3° | 120.0° |
| N | CA | C | H2 | 117.0° | 120.0° |
| N | CA | CB | H2 | 117.0° | 120.0° |
| N | CA | C | O | 18.6° | 0.0° |
| N | CA | C | OXT | 163.4° | 180.0° |
| N | CA | CB | CG | 79.8° | 65.0° |
| N | CA | CB | H4 | 159.8° | 55.0° |
| N | CA | CB | H5 | 40.7° | 175.0° |
| C | CA | CB | H2 | 115.5° | 120.0° |
| CA | C | O | OXT | 177.9° | 180.0° |
| C | CA | CB | CG | 47.8° | 175.0° |
| C | CA | N | H1 | 15.1° | 95.0° |
| CA | C | OXT | H3 | 177.8° | 180.0° |
| C | CA | CB | H4 | 72.7° | 65.0° |
| C | CA | CB | H5 | 168.2° | 55.0° |
| CB | CA | C | O | 145.9° | 120.0° |
| CB | CA | C | OXT | 36.1° | 60.0° |
| CA | CB | CG | H4 | 120.5° | 120.0° |
| CA | CB | CG | H5 | 120.4° | 120.0° |
| CA | CB | CG | CD1 | 15.7° | 95.0° |
| CA | CB | CG | CD2 | 165.4° | 85.3° |
| CB | CA | N | H1 | 111.5° | 25.0° |
| CA | CB | H4 | H5 | 118.6° | 120.0° |
| O | C | CA | H2 | 98.4° | 120.0° |
| O | C | OXT | H3 | 0.0° | 0.0° |
| OXT | C | CA | H2 | 79.6° | 60.0° |
| CB | CG | CD1 | CD2 | 179.0° | 179.7° |
| CB | CG | CD1 | NE1 | 179.8° | 179.9° |
| CB | CG | CD2 | CE3 | 0.6° | 0.1° |
| CB | CG | CD2 | CE2 | 179.6° | 180.0° |
| CG | CB | CA | H2 | 163.2° | 55.0° |
| CG | CB | H4 | H5 | 118.6° | 120.0° |
| CB | CG | CD1 | H11 | 0.3° | 0.1° |
| CG | CD1 | NE1 | H11 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE3 | 179.7° | 179.8° |
| CD1 | CG | CD2 | CE2 | 0.5° | 0.3° |
| CG | CD1 | NE1 | CE2 | 0.8° | 0.4° |
| CD1 | CG | CB | H4 | 136.2° | 145.0° |
| CD1 | CG | CB | H5 | 104.7° | 25.0° |
| CG | CD1 | NE1 | H10 | 179.3° | 179.9° |
| CD2 | CG | CD1 | NE1 | 0.8° | 0.4° |
| CG | CD2 | CE3 | CE2 | 179.8° | 179.9° |
| CG | CD2 | CE3 | CZ3 | 179.6° | 180.0° |
| CG | CD2 | CE2 | NE1 | 0.0° | 0.0° |
| CG | CD2 | CE2 | CZ2 | 179.8° | 180.0° |
| CD2 | CG | CB | H4 | 44.9° | 34.7° |
| CD2 | CG | CB | H5 | 74.2° | 154.7° |
| CG | CD2 | CE3 | H6 | 0.3° | 0.1° |
| CD2 | CG | CD1 | H11 | 179.2° | 179.7° |
| CD1 | NE1 | CE2 | CD2 | 0.4° | 0.3° |
| CD1 | NE1 | CE2 | H10 | 180.0° | 179.7° |
| CD1 | NE1 | CE2 | CZ2 | 179.3° | 179.8° |
| CD2 | CE3 | CZ3 | H6 | 180.0° | 180.0° |
| CE3 | CD2 | CE2 | NE1 | 179.9° | 179.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.7° | 0.1° |
| CE3 | CD2 | CE2 | CZ2 | 0.4° | 0.1° |
| CD2 | CE3 | CZ3 | H7 | 179.3° | 180.0° |
| CZ3 | CE3 | CD2 | CE2 | 0.2° | 0.1° |
| CE3 | CZ3 | CH2 | H7 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.6° | 0.1° |
| CE3 | CZ3 | CH2 | H8 | 179.4° | 180.0° |
| CD2 | CE2 | NE1 | CZ2 | 179.7° | 180.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.4° | 0.1° |
| CE2 | CD2 | CE3 | H6 | 179.9° | 180.0° |
| CD2 | CE2 | CZ2 | H9 | 179.6° | 180.0° |
| CD2 | CE2 | NE1 | H10 | 179.6° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 179.9° | 179.9° |
| NE1 | CE2 | CZ2 | H9 | 0.1° | 0.0° |
| CE2 | NE1 | CD1 | H11 | 179.3° | 179.6° |
| CZ3 | CH2 | CZ2 | CE2 | 0.1° | 0.1° |
| CZ3 | CH2 | CZ2 | H8 | 180.0° | 179.9° |
| CH2 | CZ3 | CE3 | H6 | 179.4° | 179.9° |
| CZ3 | CH2 | CZ2 | H9 | 179.9° | 180.0° |
| CE2 | CZ2 | CH2 | H9 | 180.0° | 179.9° |
| CE2 | CZ2 | CH2 | H8 | 179.9° | 180.0° |
| CZ2 | CE2 | NE1 | H10 | 0.7° | 0.0° |
| CZ2 | CH2 | CZ3 | H7 | 179.4° | 179.9° |
| H1 | N | CA | H2 | 131.6° | 145.0° |
| H2 | CA | CB | H4 | 42.8° | 175.0° |
| H2 | CA | CB | H5 | 76.3° | 65.0° |
| H6 | CE3 | CZ3 | H7 | 0.7° | 0.0° |
| H7 | CZ3 | CH2 | H8 | 0.6° | 0.1° |
| H8 | CH2 | CZ2 | H9 | 0.1° | 0.1° |
| H10 | NE1 | CD1 | H11 | 0.7° | 0.1° |
