2Q0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAG | CAI | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAM | sing | 1.39Å | 1.39Å | Aromatic |
CAI | CAN | sing | 1.40Å | 1.39Å | Aromatic |
OAD | CAM | sing | 1.36Å | 1.36Å | |
CAM | CAH | doub | 1.39Å | 1.39Å | Aromatic |
CAA | CAR | sing | 1.53Å | 1.53Å | |
CAN | CAF | sing | 1.47Å | 1.40Å | |
CAN | CAJ | doub | 1.40Å | 1.39Å | Aromatic |
CAB | CAR | sing | 1.53Å | 1.53Å | |
CAF | CAQ | doub | 1.36Å | 1.35Å | |
OAC | CAO | doub | 1.22Å | 1.23Å | |
CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
CAR | CAK | sing | 1.53Å | 1.55Å | |
CAQ | CAO | sing | 1.47Å | 1.34Å | |
CAQ | SAL | sing | 1.77Å | 1.66Å | |
CAO | NAS | sing | 1.32Å | 1.36Å | |
NAS | CAK | sing | 1.46Å | 1.51Å | |
NAS | CAP | sing | 1.34Å | 1.34Å | |
SAL | CAP | sing | 1.77Å | 1.62Å | |
CAP | SAE | doub | 1.71Å | 1.73Å | |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
CAR | H4 | sing | 1.09Å | 1.10Å | |
CAB | H5 | sing | 1.09Å | 1.10Å | |
CAB | H6 | sing | 1.09Å | 1.10Å | |
CAB | H7 | sing | 1.09Å | 1.10Å | |
CAK | H8 | sing | 1.09Å | 1.10Å | |
CAK | H9 | sing | 1.09Å | 1.10Å | |
CAF | H10 | sing | 1.08Å | 1.08Å | |
CAI | H12 | sing | 1.08Å | 1.08Å | |
CAG | H13 | sing | 1.08Å | 1.08Å | |
OAD | H14 | sing | 0.97Å | 0.95Å | |
CAH | H15 | sing | 1.08Å | 1.08Å | |
CAJ | H16 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAI | CAG | CAM | 119.9° | 120.1° |
CAG | CAI | CAN | 121.3° | 119.8° |
CAG | CAI | H12 | 119.3° | 120.1° |
CAI | CAG | H13 | 120.1° | 119.9° |
CAG | CAM | OAD | 120.1° | 119.8° |
CAG | CAM | CAH | 119.7° | 120.3° |
CAM | CAG | H13 | 120.1° | 119.9° |
CAI | CAN | CAF | 116.0° | 120.1° |
CAI | CAN | CAJ | 118.1° | 119.8° |
CAN | CAI | H12 | 119.4° | 120.1° |
OAD | CAM | CAH | 120.2° | 119.9° |
CAM | OAD | H14 | 109.5° | 114.0° |
CAM | CAH | CAJ | 119.9° | 120.1° |
CAM | CAH | H15 | 120.1° | 119.9° |
CAA | CAR | CAB | 107.6° | 109.5° |
CAA | CAR | CAK | 113.9° | 109.5° |
CAR | CAA | H1 | 109.5° | 109.4° |
CAR | CAA | H2 | 109.5° | 109.5° |
CAR | CAA | H3 | 109.5° | 109.5° |
CAA | CAR | H4 | 108.8° | 109.4° |
CAF | CAN | CAJ | 125.9° | 120.1° |
CAN | CAF | CAQ | 125.6° | 120.0° |
CAN | CAF | H10 | 117.2° | 120.0° |
CAN | CAJ | CAH | 121.2° | 119.9° |
CAN | CAJ | H16 | 119.4° | 120.1° |
CAB | CAR | CAK | 109.3° | 109.5° |
CAB | CAR | H4 | 108.7° | 109.5° |
CAR | CAB | H5 | 109.5° | 109.4° |
CAR | CAB | H6 | 109.5° | 109.5° |
CAR | CAB | H7 | 109.5° | 109.5° |
CAF | CAQ | CAO | 120.4° | 127.9° |
CAF | CAQ | SAL | 132.3° | 128.0° |
CAQ | CAF | H10 | 117.2° | 120.0° |
OAC | CAO | CAQ | 120.5° | 122.5° |
OAC | CAO | NAS | 124.0° | 122.5° |
CAJ | CAH | H15 | 120.0° | 120.0° |
CAH | CAJ | H16 | 119.4° | 120.0° |
CAR | CAK | NAS | 118.0° | 109.5° |
CAK | CAR | H4 | 108.5° | 109.4° |
CAR | CAK | H8 | 107.3° | 109.5° |
CAR | CAK | H9 | 107.3° | 109.5° |
CAO | CAQ | SAL | 107.3° | 104.1° |
CAQ | CAO | NAS | 115.6° | 114.9° |
CAQ | SAL | CAP | 94.9° | 94.6° |
CAO | NAS | CAK | 135.5° | 120.2° |
CAO | NAS | CAP | 111.3° | 119.5° |
CAK | NAS | CAP | 113.2° | 120.2° |
NAS | CAK | H8 | 107.3° | 109.4° |
NAS | CAK | H9 | 107.3° | 109.5° |
NAS | CAP | SAL | 110.8° | 106.9° |
NAS | CAP | SAE | 124.9° | 126.6° |
SAL | CAP | SAE | 124.3° | 126.6° |
H1 | CAA | H2 | 109.5° | 109.5° |
H1 | CAA | H3 | 109.4° | 109.4° |
H2 | CAA | H3 | 109.5° | 109.5° |
H5 | CAB | H6 | 109.4° | 109.4° |
H5 | CAB | H7 | 109.5° | 109.5° |
H6 | CAB | H7 | 109.5° | 109.5° |
H8 | CAK | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAI | CAG | CAM | H13 | 180.0° | 180.0° |
CAG | CAI | CAN | H12 | 180.0° | 179.9° |
CAI | CAG | CAM | OAD | 180.0° | 180.0° |
CAI | CAG | CAM | CAH | 0.2° | 0.0° |
CAG | CAI | CAN | CAF | 179.8° | 180.0° |
CAG | CAI | CAN | CAJ | 0.5° | 0.4° |
CAM | CAG | CAI | CAN | 0.3° | 0.0° |
CAG | CAM | OAD | CAH | 179.8° | 180.0° |
CAG | CAM | CAH | CAJ | 0.2° | 0.2° |
CAM | CAG | CAI | H12 | 179.7° | 179.9° |
CAG | CAM | OAD | H14 | 180.0° | 90.0° |
CAG | CAM | CAH | H15 | 179.9° | 180.0° |
CAI | CAN | CAF | CAJ | 179.2° | 179.7° |
CAI | CAN | CAF | CAQ | 179.0° | 21.5° |
CAI | CAN | CAJ | CAH | 0.5° | 0.6° |
CAI | CAN | CAF | H10 | 1.0° | 158.5° |
CAN | CAI | CAG | H13 | 179.7° | 180.0° |
CAI | CAN | CAJ | H16 | 179.5° | 179.7° |
OAD | CAM | CAH | CAJ | 180.0° | 179.7° |
OAD | CAM | CAG | H13 | 0.0° | 0.0° |
OAD | CAM | CAH | H15 | 0.1° | 0.1° |
CAM | CAH | CAJ | CAN | 0.3° | 0.5° |
CAM | CAH | CAJ | H15 | 180.0° | 179.8° |
CAH | CAM | CAG | H13 | 179.8° | 180.0° |
CAH | CAM | OAD | H14 | 0.2° | 90.0° |
CAM | CAH | CAJ | H16 | 179.7° | 179.8° |
CAA | CAR | CAB | CAK | 124.1° | 120.0° |
CAA | CAR | CAB | H4 | 117.7° | 120.0° |
CAA | CAR | CAK | H4 | 121.3° | 119.9° |
CAA | CAR | CAK | NAS | 63.7° | 65.0° |
CAR | CAA | H1 | H2 | 120.0° | 120.0° |
CAR | CAA | H1 | H3 | 120.0° | 120.0° |
CAR | CAA | H2 | H3 | 120.0° | 120.1° |
CAA | CAR | CAB | H5 | 180.0° | 60.1° |
CAA | CAR | CAB | H6 | 60.0° | 180.0° |
CAA | CAR | CAB | H7 | 60.0° | 60.0° |
CAA | CAR | CAK | H8 | 175.1° | 175.0° |
CAA | CAR | CAK | H9 | 57.5° | 55.1° |
CAN | CAF | CAQ | H10 | 180.0° | 180.0° |
CAF | CAN | CAJ | CAH | 179.7° | 179.7° |
CAN | CAF | CAQ | CAO | 179.4° | 172.9° |
CAN | CAF | CAQ | SAL | 0.9° | 7.3° |
CAF | CAN | CAI | H12 | 0.2° | 0.1° |
CAF | CAN | CAJ | H16 | 0.3° | 0.1° |
CAJ | CAN | CAF | CAQ | 0.2° | 158.8° |
CAN | CAJ | CAH | H16 | 180.0° | 179.7° |
CAJ | CAN | CAF | H10 | 179.8° | 21.2° |
CAJ | CAN | CAI | H12 | 179.5° | 179.7° |
CAN | CAJ | CAH | H15 | 179.7° | 179.6° |
CAB | CAR | CAK | H4 | 118.4° | 120.0° |
CAB | CAR | CAK | NAS | 56.6° | 175.0° |
CAB | CAR | CAA | H1 | 180.0° | 60.1° |
CAB | CAR | CAA | H2 | 60.0° | 60.0° |
CAB | CAR | CAA | H3 | 60.0° | 180.0° |
CAR | CAB | H5 | H6 | 120.0° | 120.0° |
CAR | CAB | H5 | H7 | 120.0° | 120.0° |
CAR | CAB | H6 | H7 | 120.0° | 120.1° |
CAB | CAR | CAK | H8 | 64.6° | 55.0° |
CAB | CAR | CAK | H9 | 177.8° | 65.0° |
CAF | CAQ | CAO | OAC | 0.0° | 0.0° |
CAF | CAQ | CAO | SAL | 179.8° | 179.9° |
CAF | CAQ | CAO | NAS | 179.6° | 180.0° |
CAF | CAQ | SAL | CAP | 180.0° | 179.9° |
OAC | CAO | CAQ | NAS | 179.6° | 180.0° |
OAC | CAO | CAQ | SAL | 179.7° | 179.9° |
OAC | CAO | NAS | CAK | 0.9° | 0.0° |
OAC | CAO | NAS | CAP | 179.6° | 179.7° |
CAR | CAK | NAS | CAO | 56.0° | 89.7° |
CAR | CAK | NAS | H8 | 121.2° | 120.0° |
CAR | CAK | NAS | H9 | 121.2° | 120.0° |
CAR | CAK | NAS | CAP | 125.3° | 90.0° |
CAK | CAR | CAA | H1 | 58.7° | 60.0° |
CAK | CAR | CAA | H2 | 178.8° | 180.0° |
CAK | CAR | CAA | H3 | 61.2° | 59.9° |
CAK | CAR | CAB | H5 | 55.9° | 60.0° |
CAK | CAR | CAB | H6 | 64.1° | 60.0° |
CAK | CAR | CAB | H7 | 175.9° | 180.0° |
CAR | CAK | H8 | H9 | 116.1° | 120.0° |
CAQ | CAO | NAS | CAK | 179.6° | 180.0° |
CAQ | CAO | NAS | CAP | 0.9° | 0.3° |
CAO | CAQ | SAL | CAP | 0.3° | 0.0° |
CAO | CAQ | CAF | H10 | 0.6° | 7.2° |
SAL | CAQ | CAO | NAS | 0.7° | 0.1° |
CAQ | SAL | CAP | NAS | 0.2° | 0.1° |
CAQ | SAL | CAP | SAE | 179.9° | 179.8° |
SAL | CAQ | CAF | H10 | 179.1° | 172.7° |
CAO | NAS | CAK | CAP | 178.7° | 179.7° |
CAO | NAS | CAP | SAL | 0.6° | 0.2° |
CAO | NAS | CAP | SAE | 179.7° | 179.7° |
CAO | NAS | CAK | H8 | 177.3° | 150.3° |
CAO | NAS | CAK | H9 | 65.2° | 30.3° |
CAK | NAS | CAP | SAL | 179.6° | 180.0° |
CAK | NAS | CAP | SAE | 0.7° | 0.0° |
NAS | CAK | CAR | H4 | 175.0° | 55.0° |
NAS | CAK | H8 | H9 | 116.1° | 120.0° |
NAS | CAP | SAL | SAE | 179.7° | 180.0° |
CAP | NAS | CAK | H8 | 4.1° | 30.0° |
CAP | NAS | CAK | H9 | 113.5° | 150.0° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H1 | CAA | CAR | H4 | 62.4° | 179.9° |
H2 | CAA | CAR | H4 | 57.6° | 60.1° |
H3 | CAA | CAR | H4 | 177.6° | 60.0° |
H4 | CAR | CAB | H5 | 62.4° | 180.0° |
H4 | CAR | CAB | H6 | 177.7° | 60.0° |
H4 | CAR | CAB | H7 | 57.7° | 60.0° |
H4 | CAR | CAK | H8 | 53.7° | 65.0° |
H4 | CAR | CAK | H9 | 63.8° | 175.0° |
H5 | CAB | H6 | H7 | 120.0° | 120.0° |
H12 | CAI | CAG | H13 | 0.3° | 0.1° |
H15 | CAH | CAJ | H16 | 0.3° | 0.0° |