W09
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FBP | CAY | sing | 1.40Å | 1.38Å | |
FBN | CAY | sing | 1.40Å | 1.36Å | |
FBO | CAY | sing | 1.40Å | 1.32Å | |
CAY | CAX | sing | 1.53Å | 1.56Å | |
CAX | FBL | sing | 1.40Å | 1.35Å | |
CAX | CAW | sing | 1.53Å | 1.54Å | |
CAX | FBM | sing | 1.40Å | 1.38Å | |
FBJ | CAW | sing | 1.40Å | 1.03Å | |
CAW | FBK | sing | 1.40Å | 1.17Å | |
CAW | CAV | sing | 1.53Å | 1.57Å | |
FBH | CAV | sing | 1.40Å | 1.38Å | |
CAV | FBI | sing | 1.40Å | 1.31Å | |
CAV | CAU | sing | 1.53Å | 1.57Å | |
FBG | CAU | sing | 1.40Å | 1.35Å | |
CAU | FBF | sing | 1.40Å | 1.29Å | |
CAU | CAT | sing | 1.53Å | 1.55Å | |
FBD | CAT | sing | 1.40Å | 1.41Å | |
CAT | FBE | sing | 1.40Å | 1.33Å | |
CAT | CAS | sing | 1.53Å | 1.55Å | |
FBC | CAS | sing | 1.40Å | 1.40Å | |
CAS | FBB | sing | 1.40Å | 1.46Å | |
CAS | CAR | sing | 1.53Å | 1.55Å | |
OAQ | CAP | doub | 1.21Å | 1.23Å | |
CAP | CAR | sing | 1.51Å | 1.55Å | |
CAP | N | sing | 1.35Å | 1.35Å | |
CAR | FAZ | sing | 1.40Å | 1.37Å | |
CAR | FBA | sing | 1.40Å | 1.40Å | |
OXT | C | doub | 1.21Å | 1.27Å | |
CA | C | sing | 1.51Å | 1.54Å | |
CA | N | sing | 1.46Å | 1.47Å | |
CA | CB | sing | 1.53Å | 1.49Å | |
C | O | 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 | 1.32Å | Aromatic |
CD1 | NE1 | sing | 1.37Å | 1.34Å | Aromatic |
CE3 | CD2 | doub | 1.40Å | 1.34Å | Aromatic |
CE3 | CZ3 | sing | 1.37Å | 1.39Å | Aromatic |
CD2 | CE2 | sing | 1.41Å | 1.34Å | Aromatic |
NE1 | CE2 | sing | 1.38Å | 1.35Å | Aromatic |
CZ3 | CH2 | doub | 1.39Å | 1.38Å | Aromatic |
CE2 | CZ2 | doub | 1.39Å | 1.34Å | Aromatic |
CH2 | CZ2 | sing | 1.38Å | 1.40Å | Aromatic |
N | H1 | sing | 0.97Å | 1.00Å | |
CA | H2 | sing | 1.09Å | 1.10Å | |
O | 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) |
FBP | CAY | FBN | 108.9° | 109.5° |
FBP | CAY | FBO | 109.7° | 109.5° |
FBP | CAY | CAX | 109.1° | 109.4° |
FBN | CAY | FBO | 108.6° | 109.5° |
FBN | CAY | CAX | 111.6° | 109.5° |
FBO | CAY | CAX | 108.9° | 109.5° |
CAY | CAX | FBL | 110.1° | 109.4° |
CAY | CAX | CAW | 108.3° | 109.5° |
CAY | CAX | FBM | 109.4° | 109.5° |
FBL | CAX | CAW | 110.9° | 109.5° |
FBL | CAX | FBM | 108.9° | 109.5° |
CAW | CAX | FBM | 109.2° | 109.5° |
CAX | CAW | FBJ | 112.7° | 109.4° |
CAX | CAW | FBK | 109.3° | 109.5° |
CAX | CAW | CAV | 109.2° | 109.5° |
FBJ | CAW | FBK | 112.3° | 109.5° |
FBJ | CAW | CAV | 105.7° | 109.5° |
FBK | CAW | CAV | 107.3° | 109.5° |
CAW | CAV | FBH | 109.0° | 109.4° |
CAW | CAV | FBI | 110.5° | 109.5° |
CAW | CAV | CAU | 110.2° | 109.5° |
FBH | CAV | FBI | 109.0° | 109.5° |
FBH | CAV | CAU | 109.6° | 109.5° |
FBI | CAV | CAU | 108.4° | 109.5° |
CAV | CAU | FBG | 110.3° | 109.5° |
CAV | CAU | FBF | 109.0° | 109.5° |
CAV | CAU | CAT | 109.3° | 109.5° |
FBG | CAU | FBF | 108.4° | 109.5° |
FBG | CAU | CAT | 109.9° | 109.5° |
FBF | CAU | CAT | 109.9° | 109.4° |
CAU | CAT | FBD | 108.4° | 109.5° |
CAU | CAT | FBE | 108.9° | 109.5° |
CAU | CAT | CAS | 111.6° | 109.5° |
FBD | CAT | FBE | 110.7° | 109.5° |
FBD | CAT | CAS | 108.3° | 109.4° |
FBE | CAT | CAS | 108.9° | 109.5° |
CAT | CAS | FBC | 108.3° | 109.5° |
CAT | CAS | FBB | 109.9° | 109.4° |
CAT | CAS | CAR | 111.2° | 109.5° |
FBC | CAS | FBB | 111.8° | 109.4° |
FBC | CAS | CAR | 107.5° | 109.5° |
FBB | CAS | CAR | 108.1° | 109.5° |
CAS | CAR | CAP | 109.3° | 109.5° |
CAS | CAR | FAZ | 109.8° | 109.4° |
CAS | CAR | FBA | 108.9° | 109.5° |
OAQ | CAP | CAR | 120.8° | 120.0° |
OAQ | CAP | N | 124.9° | 120.0° |
CAR | CAP | N | 114.3° | 120.0° |
CAP | CAR | FAZ | 109.0° | 109.5° |
CAP | CAR | FBA | 110.4° | 109.5° |
CAP | N | CA | 122.7° | 120.0° |
CAP | N | H1 | 118.7° | 120.0° |
FAZ | CAR | FBA | 109.6° | 109.5° |
OXT | C | CA | 116.3° | 120.0° |
OXT | C | O | 126.5° | 119.9° |
C | CA | N | 108.6° | 109.4° |
C | CA | CB | 112.0° | 109.5° |
CA | C | O | 116.8° | 120.1° |
C | CA | H2 | 107.4° | 109.4° |
N | CA | CB | 112.2° | 109.5° |
CA | N | H1 | 118.6° | 120.1° |
N | CA | H2 | 108.4° | 109.5° |
CA | CB | CG | 113.1° | 109.4° |
CB | CA | H2 | 108.0° | 109.5° |
CA | CB | H4 | 108.5° | 109.4° |
CA | CB | H5 | 108.5° | 109.4° |
C | O | H3 | 109.5° | 117.1° |
CB | CG | CD1 | 128.9° | 126.5° |
CB | CG | CD2 | 120.8° | 126.6° |
CG | CB | H4 | 108.6° | 109.5° |
CG | CB | H5 | 108.6° | 109.5° |
CD1 | CG | CD2 | 110.3° | 107.0° |
CG | CD1 | NE1 | 106.6° | 109.9° |
CG | CD1 | H11 | 126.6° | 125.0° |
CG | CD2 | CE3 | 130.8° | 134.0° |
CG | CD2 | CE2 | 107.3° | 106.1° |
CD1 | NE1 | CE2 | 108.2° | 109.9° |
CD1 | NE1 | H10 | 125.9° | 125.1° |
NE1 | CD1 | H11 | 126.7° | 125.1° |
CD2 | CE3 | CZ3 | 120.8° | 119.7° |
CE3 | CD2 | CE2 | 121.9° | 120.0° |
CD2 | CE3 | H6 | 119.6° | 120.2° |
CE3 | CZ3 | CH2 | 117.6° | 120.5° |
CZ3 | CE3 | H6 | 119.6° | 120.1° |
CE3 | CZ3 | H7 | 121.2° | 119.7° |
CD2 | CE2 | NE1 | 107.6° | 107.1° |
CD2 | CE2 | CZ2 | 120.0° | 119.3° |
NE1 | CE2 | CZ2 | 132.4° | 133.6° |
CE2 | NE1 | H10 | 126.0° | 125.0° |
CZ3 | CH2 | CZ2 | 119.5° | 120.7° |
CH2 | CZ3 | H7 | 121.2° | 119.7° |
CZ3 | CH2 | H8 | 120.2° | 119.6° |
CE2 | CZ2 | CH2 | 120.3° | 119.8° |
CE2 | CZ2 | H9 | 119.8° | 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) |
FBP | CAY | FBN | FBO | 119.4° | 120.0° |
FBP | CAY | FBN | CAX | 120.5° | 120.0° |
FBP | CAY | FBO | CAX | 119.4° | 120.0° |
FBP | CAY | CAX | FBL | 57.1° | 180.0° |
FBP | CAY | CAX | CAW | 64.3° | 60.0° |
FBP | CAY | CAX | FBM | 176.8° | 60.0° |
FBN | CAY | FBO | CAX | 121.7° | 120.0° |
FBN | CAY | CAX | FBL | 63.3° | 60.0° |
FBN | CAY | CAX | CAW | 175.3° | 60.0° |
FBN | CAY | CAX | FBM | 56.4° | 180.0° |
FBO | CAY | CAX | FBL | 176.8° | 60.0° |
FBO | CAY | CAX | CAW | 55.5° | 180.0° |
FBO | CAY | CAX | FBM | 63.5° | 60.0° |
CAY | CAX | FBL | CAW | 119.8° | 120.0° |
CAY | CAX | FBL | FBM | 120.0° | 120.0° |
CAY | CAX | CAW | FBM | 119.1° | 120.0° |
CAY | CAX | CAW | FBJ | 52.8° | 60.0° |
CAY | CAX | CAW | FBK | 72.8° | 60.0° |
CAY | CAX | CAW | CAV | 170.1° | 180.0° |
FBL | CAX | CAW | FBM | 120.0° | 120.0° |
FBL | CAX | CAW | FBJ | 68.1° | 179.9° |
FBL | CAX | CAW | FBK | 166.3° | 60.0° |
FBL | CAX | CAW | CAV | 49.2° | 60.1° |
CAX | CAW | FBJ | FBK | 124.0° | 120.0° |
CAX | CAW | FBJ | CAV | 119.3° | 120.0° |
CAX | CAW | FBK | CAV | 118.4° | 120.0° |
CAX | CAW | CAV | FBH | 80.0° | 60.0° |
CAX | CAW | CAV | FBI | 39.7° | 60.0° |
CAX | CAW | CAV | CAU | 159.6° | 180.0° |
FBM | CAX | CAW | FBJ | 171.9° | 60.0° |
FBM | CAX | CAW | FBK | 46.3° | 180.0° |
FBM | CAX | CAW | CAV | 70.8° | 60.0° |
FBJ | CAW | FBK | CAV | 115.8° | 120.0° |
FBJ | CAW | CAV | FBH | 41.5° | 180.0° |
FBJ | CAW | CAV | FBI | 161.3° | 60.0° |
FBJ | CAW | CAV | CAU | 78.9° | 60.0° |
FBK | CAW | CAV | FBH | 161.5° | 60.0° |
FBK | CAW | CAV | FBI | 78.7° | NaN° |
FBK | CAW | CAV | CAU | 41.1° | 60.0° |
CAW | CAV | FBH | FBI | 120.7° | 120.0° |
CAW | CAV | FBH | CAU | 120.8° | 120.0° |
CAW | CAV | FBI | CAU | 120.9° | 120.0° |
CAW | CAV | CAU | FBG | 51.7° | 60.0° |
CAW | CAV | CAU | FBF | 67.3° | 60.0° |
CAW | CAV | CAU | CAT | 172.6° | 180.0° |
FBH | CAV | FBI | CAU | 119.3° | 120.0° |
FBH | CAV | CAU | FBG | 68.4° | 60.0° |
FBH | CAV | CAU | FBF | 172.7° | 180.0° |
FBH | CAV | CAU | CAT | 52.5° | 60.0° |
FBI | CAV | CAU | FBG | 172.8° | 180.0° |
FBI | CAV | CAU | FBF | 53.8° | 60.0° |
FBI | CAV | CAU | CAT | 66.3° | 60.0° |
CAV | CAU | FBG | FBF | 119.3° | 120.0° |
CAV | CAU | FBG | CAT | 120.5° | 120.0° |
CAV | CAU | FBF | CAT | 119.8° | 120.0° |
CAV | CAU | CAT | FBD | 57.6° | 60.0° |
CAV | CAU | CAT | FBE | 62.9° | 60.0° |
CAV | CAU | CAT | CAS | 176.8° | 180.0° |
FBG | CAU | FBF | CAT | 120.1° | 120.0° |
FBG | CAU | CAT | FBD | 63.5° | 60.0° |
FBG | CAU | CAT | FBE | 175.9° | NaN° |
FBG | CAU | CAT | CAS | 55.7° | 60.0° |
FBF | CAU | CAT | FBD | 177.3° | 180.0° |
FBF | CAU | CAT | FBE | 56.7° | 60.0° |
FBF | CAU | CAT | CAS | 63.6° | 60.0° |
CAU | CAT | FBD | FBE | 119.4° | 120.0° |
CAU | CAT | FBD | CAS | 121.2° | 120.0° |
CAU | CAT | FBE | CAS | 121.9° | 120.0° |
CAU | CAT | CAS | FBC | 74.0° | 59.9° |
CAU | CAT | CAS | FBB | 48.4° | 60.0° |
CAU | CAT | CAS | CAR | 168.1° | 180.0° |
FBD | CAT | FBE | CAS | 119.0° | 119.9° |
FBD | CAT | CAS | FBC | 45.3° | 60.1° |
FBD | CAT | CAS | FBB | 167.7° | 180.0° |
FBD | CAT | CAS | CAR | 72.7° | 60.0° |
FBE | CAT | CAS | FBC | 165.7° | 180.0° |
FBE | CAT | CAS | FBB | 71.9° | 60.0° |
FBE | CAT | CAS | CAR | 47.8° | 60.0° |
CAT | CAS | FBC | FBB | 121.2° | 119.9° |
CAT | CAS | FBC | CAR | 120.3° | 120.0° |
CAT | CAS | FBB | CAR | 121.5° | 120.0° |
CAT | CAS | CAR | CAP | 54.4° | 180.0° |
CAT | CAS | CAR | FAZ | 65.0° | 60.0° |
CAT | CAS | CAR | FBA | 175.0° | 60.0° |
FBC | CAS | FBB | CAR | 118.2° | 120.1° |
FBC | CAS | CAR | CAP | 64.1° | 60.0° |
FBC | CAS | CAR | FAZ | 176.5° | 60.0° |
FBC | CAS | CAR | FBA | 56.6° | 180.0° |
FBB | CAS | CAR | CAP | 175.1° | 60.0° |
FBB | CAS | CAR | FAZ | 55.6° | 180.0° |
FBB | CAS | CAR | FBA | 64.3° | 60.0° |
CAS | CAR | CAP | OAQ | 61.2° | 25.0° |
CAS | CAR | CAP | FAZ | 119.9° | 120.0° |
CAS | CAR | CAP | FBA | 119.7° | 120.0° |
CAS | CAR | CAP | N | 117.1° | 155.0° |
CAS | CAR | FAZ | FBA | 119.5° | 120.0° |
OAQ | CAP | CAR | N | 178.3° | 180.0° |
OAQ | CAP | CAR | FAZ | 178.9° | 95.0° |
OAQ | CAP | CAR | FBA | 58.5° | 145.0° |
OAQ | CAP | N | CA | 7.2° | 0.0° |
OAQ | CAP | N | H1 | 172.8° | 180.0° |
CAP | CAR | FAZ | FBA | 120.9° | 120.0° |
CAR | CAP | N | CA | 171.0° | 180.0° |
CAR | CAP | N | H1 | 9.0° | 0.0° |
N | CAP | CAR | FAZ | 2.8° | 85.0° |
N | CAP | CAR | FBA | 123.2° | 35.0° |
CAP | N | CA | C | 157.3° | 85.0° |
CAP | N | CA | H1 | 180.0° | 179.9° |
CAP | N | CA | CB | 78.3° | 155.0° |
CAP | N | CA | H2 | 40.9° | 34.9° |
OXT | C | CA | O | 173.3° | 180.0° |
OXT | C | CA | N | 22.5° | 0.0° |
OXT | C | CA | CB | 147.0° | 120.0° |
OXT | C | CA | H2 | 94.5° | 120.0° |
OXT | C | O | H3 | 0.0° | 0.1° |
C | CA | N | CB | 124.4° | 120.0° |
C | CA | N | H2 | 116.4° | 119.9° |
C | CA | CB | H2 | 118.1° | 120.0° |
C | CA | CB | CG | 55.7° | 175.0° |
C | CA | N | H1 | 22.7° | 95.0° |
CA | C | O | H3 | 172.5° | 180.0° |
C | CA | CB | H4 | 64.8° | 65.0° |
C | CA | CB | H5 | 176.3° | 55.0° |
N | CA | CB | H2 | 119.4° | 120.1° |
N | CA | C | O | 164.2° | 180.0° |
N | CA | CB | CG | 66.7° | 65.0° |
N | CA | CB | H4 | 172.7° | 55.0° |
N | CA | CB | H5 | 53.8° | 175.0° |
CB | CA | C | O | 39.7° | 60.0° |
CA | CB | CG | H4 | 120.5° | 120.0° |
CA | CB | CG | H5 | 120.5° | 119.9° |
CA | CB | CG | CD1 | 7.7° | 95.0° |
CA | CB | CG | CD2 | 172.9° | 85.3° |
CB | CA | N | H1 | 101.8° | 24.9° |
CA | CB | H4 | H5 | 118.3° | 119.9° |
O | C | CA | H2 | 78.8° | 60.0° |
CB | CG | CD1 | CD2 | 179.4° | 179.7° |
CB | CG | CD1 | NE1 | 179.4° | 179.9° |
CB | CG | CD2 | CE3 | 0.3° | 0.1° |
CB | CG | CD2 | CE2 | 179.9° | 179.9° |
CG | CB | CA | H2 | 173.8° | 55.0° |
CG | CB | H4 | H5 | 118.3° | 120.1° |
CB | CG | CD1 | H11 | 0.6° | 0.1° |
CG | CD1 | NE1 | H11 | 180.0° | 179.8° |
CD1 | CG | CD2 | CE3 | 179.8° | 179.8° |
CD1 | CG | CD2 | CE2 | 0.6° | 0.2° |
CG | CD1 | NE1 | CE2 | 1.3° | 0.4° |
CD1 | CG | CB | H4 | 128.3° | 145.0° |
CD1 | CG | CB | H5 | 112.8° | 24.9° |
CG | CD1 | NE1 | H10 | 178.7° | 179.9° |
CD2 | CG | CD1 | NE1 | 1.1° | 0.4° |
CG | CD2 | CE3 | CE2 | 179.6° | 179.9° |
CG | CD2 | CE3 | CZ3 | 179.4° | 180.0° |
CG | CD2 | CE2 | NE1 | 0.2° | 0.0° |
CG | CD2 | CE2 | CZ2 | 179.7° | 180.0° |
CD2 | CG | CB | H4 | 52.4° | 34.6° |
CD2 | CG | CB | H5 | 66.6° | 154.7° |
CG | CD2 | CE3 | H6 | 0.5° | 0.0° |
CD2 | CG | CD1 | H11 | 178.8° | 179.8° |
CD1 | NE1 | CE2 | CD2 | 0.9° | 0.3° |
CD1 | NE1 | CE2 | H10 | 180.0° | 179.7° |
CD1 | NE1 | CE2 | CZ2 | 178.9° | 179.8° |
CD2 | CE3 | CZ3 | H6 | 180.0° | 180.0° |
CE3 | CD2 | CE2 | NE1 | 179.4° | 179.9° |
CD2 | CE3 | CZ3 | CH2 | 0.8° | 0.0° |
CE3 | CD2 | CE2 | CZ2 | 0.7° | 0.0° |
CD2 | CE3 | CZ3 | H7 | 179.2° | 180.0° |
CZ3 | CE3 | CD2 | CE2 | 0.1° | 0.0° |
CE3 | CZ3 | CH2 | H7 | 180.0° | 180.0° |
CE3 | CZ3 | CH2 | CZ2 | 0.7° | 0.0° |
CE3 | CZ3 | CH2 | H8 | 179.3° | 180.0° |
CD2 | CE2 | NE1 | CZ2 | 179.9° | 179.9° |
CD2 | CE2 | CZ2 | CH2 | 0.8° | 0.0° |
CE2 | CD2 | CE3 | H6 | 179.9° | 180.0° |
CD2 | CE2 | CZ2 | H9 | 179.2° | 180.0° |
CD2 | CE2 | NE1 | H10 | 179.0° | 179.9° |
NE1 | CE2 | CZ2 | CH2 | 179.3° | 180.0° |
NE1 | CE2 | CZ2 | H9 | 0.7° | 0.0° |
CE2 | NE1 | CD1 | H11 | 178.7° | 179.8° |
CZ3 | CH2 | CZ2 | CE2 | 0.1° | 0.0° |
CZ3 | CH2 | CZ2 | H8 | 180.0° | 180.0° |
CH2 | CZ3 | CE3 | H6 | 179.2° | 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 | 1.1° | 0.1° |
CZ2 | CH2 | CZ3 | H7 | 179.3° | 179.9° |
H1 | N | CA | H2 | 139.1° | 145.0° |
H2 | CA | CB | H4 | 53.3° | 175.0° |
H2 | CA | CB | H5 | 65.6° | 65.0° |
H6 | CE3 | CZ3 | H7 | 0.8° | 0.0° |
H7 | CZ3 | CH2 | H8 | 0.7° | 0.0° |
H8 | CH2 | CZ2 | H9 | 0.1° | 0.0° |
H10 | NE1 | CD1 | H11 | 1.3° | 0.1° |