EE5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAI | doub | 1.22Å | 1.21Å | |
NAJ | CAI | sing | 1.35Å | 1.40Å | |
NAJ | CAK | sing | 1.36Å | 1.42Å | |
CAI | CAH | sing | 1.47Å | 1.43Å | |
CAL | CAK | sing | 1.51Å | 1.39Å | |
CAL | SAM | sing | 1.81Å | 1.84Å | |
CAK | NAS | doub | 1.30Å | 1.34Å | |
CAH | CAG | doub | 1.40Å | 1.44Å | Aromatic |
CAH | CAR | sing | 1.41Å | 1.44Å | Aromatic |
CAG | CAF | sing | 1.37Å | 1.45Å | Aromatic |
NAS | CAR | sing | 1.36Å | 1.37Å | |
CAR | CAQ | doub | 1.39Å | 1.44Å | Aromatic |
SAM | CAN | sing | 1.76Å | 1.78Å | |
CAF | CAE | doub | 1.40Å | 1.46Å | Aromatic |
CAQ | CAE | sing | 1.39Å | 1.44Å | Aromatic |
CAQ | CAY | sing | 1.51Å | 1.41Å | |
CAE | CAD | sing | 1.43Å | 1.52Å | |
CAN | CAO | doub | 1.39Å | 1.42Å | Aromatic |
CAN | CAT | sing | 1.39Å | 1.41Å | Aromatic |
CAO | CAP | sing | 1.37Å | 1.42Å | Aromatic |
CAD | CAC | trip | 1.17Å | 1.29Å | |
CAT | CAU | doub | 1.37Å | 1.41Å | Aromatic |
CAC | CAB | sing | 1.47Å | 1.51Å | |
CAP | CAV | doub | 1.40Å | 1.41Å | Aromatic |
CAU | CAV | sing | 1.40Å | 1.42Å | Aromatic |
CAV | CAW | sing | 1.47Å | 1.39Å | |
CAW | OAZ | doub | 1.21Å | 1.26Å | |
CAW | OAX | sing | 1.35Å | 1.27Å | |
CAB | H1 | sing | 1.09Å | 1.10Å | |
CAB | H2 | sing | 1.09Å | 1.10Å | |
CAB | H3 | sing | 1.09Å | 1.10Å | |
CAY | H4 | sing | 1.09Å | 1.10Å | |
CAY | H5 | sing | 1.09Å | 1.10Å | |
CAY | H6 | sing | 1.09Å | 1.10Å | |
CAF | H7 | sing | 1.08Å | 1.08Å | |
CAG | H8 | sing | 1.08Å | 1.08Å | |
NAJ | H9 | sing | 0.97Å | 1.00Å | |
CAL | H10 | sing | 1.09Å | 1.10Å | |
CAL | H11 | sing | 1.09Å | 1.10Å | |
CAO | H12 | sing | 1.08Å | 1.08Å | |
CAP | H13 | sing | 1.08Å | 1.08Å | |
OAX | H14 | sing | 0.97Å | 0.95Å | |
CAU | H15 | sing | 1.08Å | 1.08Å | |
CAT | H16 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAI | NAJ | 115.2° | 121.2° |
OAA | CAI | CAH | 124.9° | 121.3° |
CAI | NAJ | CAK | 120.1° | 120.7° |
NAJ | CAI | CAH | 119.8° | 117.4° |
CAI | NAJ | H9 | 119.9° | 119.7° |
NAJ | CAK | CAL | 122.2° | 118.3° |
NAJ | CAK | NAS | 120.1° | 123.3° |
CAK | NAJ | H9 | 119.9° | 119.7° |
CAI | CAH | CAG | 125.0° | 121.8° |
CAI | CAH | CAR | 116.6° | 118.0° |
CAK | CAL | SAM | 109.8° | 109.5° |
CAL | CAK | NAS | 117.8° | 118.3° |
CAK | CAL | H10 | 109.4° | 109.5° |
CAK | CAL | H11 | 109.4° | 109.5° |
CAL | SAM | CAN | 109.6° | 103.0° |
SAM | CAL | H10 | 109.4° | 109.5° |
SAM | CAL | H11 | 109.4° | 109.5° |
CAK | NAS | CAR | 122.1° | 121.6° |
CAG | CAH | CAR | 118.3° | 120.2° |
CAH | CAG | CAF | 120.3° | 119.8° |
CAH | CAG | H8 | 119.8° | 120.0° |
CAH | CAR | NAS | 121.2° | 119.0° |
CAH | CAR | CAQ | 121.0° | 119.4° |
CAG | CAF | CAE | 121.8° | 120.6° |
CAG | CAF | H7 | 119.1° | 119.7° |
CAF | CAG | H8 | 119.9° | 120.1° |
NAS | CAR | CAQ | 117.8° | 121.6° |
CAR | CAQ | CAE | 122.2° | 119.5° |
CAR | CAQ | CAY | 118.0° | 120.3° |
SAM | CAN | CAO | 123.7° | 119.9° |
SAM | CAN | CAT | 118.2° | 119.9° |
CAF | CAE | CAQ | 116.4° | 120.5° |
CAF | CAE | CAD | 127.5° | 119.7° |
CAE | CAF | H7 | 119.1° | 119.8° |
CAE | CAQ | CAY | 119.8° | 120.2° |
CAQ | CAE | CAD | 116.0° | 119.8° |
CAQ | CAY | H4 | 109.5° | 109.5° |
CAQ | CAY | H5 | 109.5° | 109.5° |
CAQ | CAY | H6 | 109.5° | 109.5° |
CAE | CAD | CAC | 179.9° | 179.9° |
CAO | CAN | CAT | 118.1° | 120.2° |
CAN | CAO | CAP | 122.0° | 120.0° |
CAN | CAO | H12 | 119.0° | 120.0° |
CAN | CAT | CAU | 120.6° | 120.1° |
CAN | CAT | H16 | 119.7° | 120.0° |
CAO | CAP | CAV | 119.0° | 120.0° |
CAP | CAO | H12 | 119.0° | 120.0° |
CAO | CAP | H13 | 120.5° | 120.1° |
CAD | CAC | CAB | 175.7° | 180.0° |
CAT | CAU | CAV | 120.8° | 119.9° |
CAT | CAU | H15 | 119.6° | 120.0° |
CAU | CAT | H16 | 119.7° | 120.0° |
CAC | CAB | H1 | 109.5° | 109.5° |
CAC | CAB | H2 | 109.5° | 109.5° |
CAC | CAB | H3 | 109.5° | 109.4° |
CAP | CAV | CAU | 119.4° | 119.9° |
CAP | CAV | CAW | 120.7° | 120.1° |
CAV | CAP | H13 | 120.5° | 120.0° |
CAU | CAV | CAW | 119.9° | 120.1° |
CAV | CAU | H15 | 119.6° | 120.0° |
CAV | CAW | OAZ | 119.3° | 120.0° |
CAV | CAW | OAX | 119.3° | 120.0° |
OAZ | CAW | OAX | 121.4° | 120.0° |
CAW | OAX | H14 | 109.5° | 117.0° |
H1 | CAB | H2 | 109.4° | 109.4° |
H1 | CAB | H3 | 109.4° | 109.5° |
H2 | CAB | H3 | 109.5° | 109.5° |
H4 | CAY | H5 | 109.4° | 109.4° |
H4 | CAY | H6 | 109.5° | 109.4° |
H5 | CAY | H6 | 109.5° | 109.5° |
H10 | CAL | H11 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAI | NAJ | CAH | 178.7° | 179.9° |
OAA | CAI | NAJ | CAK | 179.3° | 179.5° |
OAA | CAI | CAH | CAG | 0.6° | 0.1° |
OAA | CAI | CAH | CAR | 178.9° | 179.8° |
OAA | CAI | NAJ | H9 | 0.7° | 0.1° |
CAI | NAJ | CAK | H9 | 180.0° | 179.4° |
CAI | NAJ | CAK | CAL | 178.9° | 180.0° |
CAI | NAJ | CAK | NAS | 0.0° | 0.6° |
NAJ | CAI | CAH | CAG | 179.2° | 180.0° |
NAJ | CAI | CAH | CAR | 0.3° | 0.3° |
CAK | NAJ | CAI | CAH | 0.6° | 0.6° |
NAJ | CAK | CAL | NAS | 178.9° | 179.4° |
NAJ | CAK | CAL | SAM | 81.6° | 180.0° |
NAJ | CAK | NAS | CAR | 0.8° | 0.3° |
NAJ | CAK | CAL | H10 | 158.4° | 60.0° |
NAJ | CAK | CAL | H11 | 38.5° | 60.0° |
CAI | CAH | CAG | CAR | 179.5° | 179.7° |
CAI | CAH | CAG | CAF | 178.2° | 180.0° |
CAI | CAH | CAR | NAS | 0.4° | 0.0° |
CAI | CAH | CAR | CAQ | 179.1° | 180.0° |
CAI | CAH | CAG | H8 | 1.8° | 0.1° |
CAH | CAI | NAJ | H9 | 179.4° | 180.0° |
CAK | CAL | SAM | H10 | 120.1° | 120.0° |
CAK | CAL | SAM | H11 | 120.0° | 120.0° |
CAL | CAK | NAS | CAR | 178.2° | 179.7° |
CAK | CAL | SAM | CAN | 82.2° | 180.0° |
CAL | CAK | NAJ | H9 | 1.1° | 0.6° |
CAK | CAL | H10 | H11 | 119.9° | 120.0° |
SAM | CAL | CAK | NAS | 97.4° | 0.6° |
CAL | SAM | CAN | CAO | 12.8° | 180.0° |
CAL | SAM | CAN | CAT | 167.5° | 0.3° |
SAM | CAL | H10 | H11 | 119.8° | 120.0° |
CAK | NAS | CAR | CAH | 1.0° | 0.0° |
CAK | NAS | CAR | CAQ | 178.5° | 180.0° |
NAS | CAK | NAJ | H9 | 180.0° | 179.9° |
NAS | CAK | CAL | H10 | 22.7° | 120.6° |
NAS | CAK | CAL | H11 | 142.6° | 119.4° |
CAH | CAG | CAF | H8 | 180.0° | 179.9° |
CAG | CAH | CAR | NAS | 180.0° | 179.7° |
CAG | CAH | CAR | CAQ | 0.5° | 0.3° |
CAH | CAG | CAF | CAE | 1.4° | 0.0° |
CAH | CAG | CAF | H7 | 178.6° | 180.0° |
CAR | CAH | CAG | CAF | 1.3° | 0.3° |
CAH | CAR | NAS | CAQ | 179.6° | 180.0° |
CAH | CAR | CAQ | CAE | 0.4° | 0.0° |
CAH | CAR | CAQ | CAY | 178.2° | 180.0° |
CAR | CAH | CAG | H8 | 178.7° | 179.8° |
CAG | CAF | CAE | H7 | 180.0° | 180.0° |
CAG | CAF | CAE | CAQ | 0.5° | 0.3° |
CAG | CAF | CAE | CAD | 179.9° | 180.0° |
NAS | CAR | CAQ | CAE | 179.1° | 180.0° |
NAS | CAR | CAQ | CAY | 1.4° | 0.0° |
CAR | CAQ | CAE | CAF | 0.4° | 0.3° |
CAR | CAQ | CAE | CAY | 177.7° | 180.0° |
CAR | CAQ | CAE | CAD | 179.0° | 180.0° |
CAR | CAQ | CAY | H4 | 88.9° | 90.0° |
CAR | CAQ | CAY | H5 | 151.1° | 30.0° |
CAR | CAQ | CAY | H6 | 31.1° | 150.1° |
SAM | CAN | CAO | CAT | 179.8° | 179.7° |
SAM | CAN | CAO | CAP | 179.8° | 180.0° |
SAM | CAN | CAT | CAU | 179.8° | 179.8° |
CAN | SAM | CAL | H10 | 37.9° | 60.0° |
CAN | SAM | CAL | H11 | 157.8° | 60.0° |
SAM | CAN | CAO | H12 | 0.2° | 0.1° |
SAM | CAN | CAT | H16 | 0.2° | 0.0° |
CAF | CAE | CAQ | CAD | 179.4° | 179.7° |
CAF | CAE | CAQ | CAY | 178.1° | 179.7° |
CAF | CAE | CAD | CAC | 175.1° | 170.9° |
CAE | CAF | CAG | H8 | 178.6° | 179.9° |
CAQ | CAE | CAD | CAC | 5.6° | 9.5° |
CAE | CAQ | CAY | H4 | 88.9° | 90.0° |
CAE | CAQ | CAY | H5 | 31.1° | 150.0° |
CAE | CAQ | CAY | H6 | 151.1° | 29.9° |
CAQ | CAE | CAF | H7 | 179.5° | 179.7° |
CAY | CAQ | CAE | CAD | 1.3° | 0.1° |
CAQ | CAY | H4 | H5 | 120.0° | 120.0° |
CAQ | CAY | H4 | H6 | 120.0° | 120.0° |
CAQ | CAY | H5 | H6 | 120.0° | 120.1° |
CAE | CAD | CAC | CAB | 18.0° | 153.9° |
CAD | CAE | CAF | H7 | 0.1° | 0.1° |
CAN | CAO | CAP | H12 | 180.0° | 179.9° |
CAO | CAN | CAT | CAU | 0.5° | 0.5° |
CAN | CAO | CAP | CAV | 0.2° | 0.1° |
CAN | CAO | CAP | H13 | 179.8° | 179.9° |
CAO | CAN | CAT | H16 | 179.5° | 179.7° |
CAT | CAN | CAO | CAP | 0.0° | 0.3° |
CAN | CAT | CAU | H16 | 180.0° | 179.8° |
CAN | CAT | CAU | CAV | 0.6° | 0.5° |
CAT | CAN | CAO | H12 | 180.0° | 179.7° |
CAN | CAT | CAU | H15 | 179.4° | 179.7° |
CAO | CAP | CAV | H13 | 180.0° | 180.0° |
CAO | CAP | CAV | CAU | 0.0° | 0.1° |
CAO | CAP | CAV | CAW | 179.8° | 180.0° |
CAD | CAC | CAB | H1 | 180.0° | 35.5° |
CAD | CAC | CAB | H2 | 60.0° | 84.5° |
CAD | CAC | CAB | H3 | 60.0° | 155.5° |
CAT | CAU | CAV | CAP | 0.4° | 0.2° |
CAT | CAU | CAV | H15 | 180.0° | 179.8° |
CAT | CAU | CAV | CAW | 179.4° | 179.8° |
CAC | CAB | H1 | H2 | 120.0° | 120.1° |
CAC | CAB | H1 | H3 | 120.0° | 120.0° |
CAC | CAB | H2 | H3 | 120.0° | 120.0° |
CAP | CAV | CAU | CAW | 179.8° | 180.0° |
CAP | CAV | CAW | OAZ | 0.2° | 0.1° |
CAP | CAV | CAW | OAX | 179.9° | 180.0° |
CAV | CAP | CAO | H12 | 179.8° | 180.0° |
CAP | CAV | CAU | H15 | 179.6° | 180.0° |
CAU | CAV | CAW | OAZ | 179.6° | 180.0° |
CAU | CAV | CAW | OAX | 0.1° | 0.0° |
CAU | CAV | CAP | H13 | 180.0° | 180.0° |
CAV | CAU | CAT | H16 | 179.3° | 179.7° |
CAV | CAW | OAZ | OAX | 179.7° | 179.9° |
CAW | CAV | CAP | H13 | 0.2° | 0.0° |
CAV | CAW | OAX | H14 | 179.7° | 180.0° |
CAW | CAV | CAU | H15 | 0.6° | 0.0° |
OAZ | CAW | OAX | H14 | 0.0° | 0.1° |
H1 | CAB | H2 | H3 | 119.9° | 120.0° |
H4 | CAY | H5 | H6 | 120.0° | 119.9° |
H7 | CAF | CAG | H8 | 1.4° | 0.0° |
H12 | CAO | CAP | H13 | 0.2° | 0.0° |
H15 | CAU | CAT | H16 | 0.6° | 0.1° |