3TX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAA | CAP | sing | 1.36Å | 1.37Å | |
CAP | CAE | doub | 1.39Å | 1.38Å | Aromatic |
CAP | CAD | sing | 1.39Å | 1.38Å | Aromatic |
CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
CAD | CAF | doub | 1.38Å | 1.39Å | Aromatic |
CAG | CAS | doub | 1.39Å | 1.39Å | Aromatic |
CAF | CAS | sing | 1.39Å | 1.41Å | Aromatic |
CAS | NAV | sing | 1.40Å | 1.35Å | |
NAV | NAN | sing | 1.40Å | 1.38Å | Aromatic |
NAV | CAL | sing | 1.35Å | 1.33Å | Aromatic |
NAN | NAM | doub | 1.29Å | 1.40Å | Aromatic |
CAL | CAR | doub | 1.36Å | 1.40Å | Aromatic |
NAM | CAR | sing | 1.34Å | 1.35Å | Aromatic |
CAR | CAQ | sing | 1.48Å | 1.47Å | |
CAQ | CAH | doub | 1.40Å | 1.39Å | Aromatic |
CAQ | NAO | sing | 1.32Å | 1.34Å | Aromatic |
CAH | CAK | sing | 1.36Å | 1.40Å | Aromatic |
NAO | CAU | doub | 1.34Å | 1.34Å | Aromatic |
CAK | CAT | doub | 1.41Å | 1.39Å | Aromatic |
CAU | CAT | sing | 1.42Å | 1.39Å | Aromatic |
CAU | CAJ | sing | 1.41Å | 1.39Å | Aromatic |
CAT | CAI | sing | 1.40Å | 1.38Å | Aromatic |
CAJ | CAC | doub | 1.36Å | 1.38Å | Aromatic |
CAI | CAB | doub | 1.36Å | 1.39Å | Aromatic |
CAC | CAB | sing | 1.39Å | 1.39Å | Aromatic |
OAA | H1 | sing | 0.97Å | 0.95Å | |
CAD | H2 | sing | 1.08Å | 1.08Å | |
CAF | H3 | sing | 1.08Å | 1.08Å | |
CAE | H4 | sing | 1.08Å | 1.08Å | |
CAG | H5 | sing | 1.08Å | 1.08Å | |
CAL | H6 | sing | 1.08Å | 1.08Å | |
CAH | H7 | sing | 1.08Å | 1.08Å | |
CAK | H8 | sing | 1.08Å | 1.08Å | |
CAJ | H9 | sing | 1.08Å | 1.08Å | |
CAC | H10 | sing | 1.08Å | 1.08Å | |
CAB | H11 | sing | 1.08Å | 1.08Å | |
CAI | H12 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAA | CAP | CAE | 119.4° | 120.0° |
OAA | CAP | CAD | 122.0° | 120.0° |
CAP | OAA | H1 | 109.5° | 114.0° |
CAE | CAP | CAD | 118.6° | 120.0° |
CAP | CAE | CAG | 121.1° | 120.0° |
CAP | CAE | H4 | 119.5° | 120.0° |
CAP | CAD | CAF | 120.0° | 120.0° |
CAP | CAD | H2 | 120.0° | 120.0° |
CAE | CAG | CAS | 122.8° | 120.0° |
CAG | CAE | H4 | 119.5° | 120.0° |
CAE | CAG | H5 | 118.6° | 120.0° |
CAD | CAF | CAS | 123.0° | 120.0° |
CAF | CAD | H2 | 120.0° | 120.0° |
CAD | CAF | H3 | 118.5° | 120.1° |
CAG | CAS | CAF | 114.6° | 120.0° |
CAG | CAS | NAV | 122.9° | 120.0° |
CAS | CAG | H5 | 118.6° | 120.0° |
CAF | CAS | NAV | 122.5° | 120.0° |
CAS | CAF | H3 | 118.5° | 119.9° |
CAS | NAV | NAN | 120.5° | 126.7° |
CAS | NAV | CAL | 126.8° | 126.7° |
NAN | NAV | CAL | 112.8° | 106.6° |
NAV | NAN | NAM | 104.6° | 108.3° |
NAV | CAL | CAR | 104.7° | 106.8° |
NAV | CAL | H6 | 127.6° | 126.6° |
NAN | NAM | CAR | 107.8° | 109.6° |
CAL | CAR | NAM | 110.1° | 108.6° |
CAL | CAR | CAQ | 128.3° | 125.7° |
CAR | CAL | H6 | 127.6° | 126.6° |
NAM | CAR | CAQ | 121.4° | 125.7° |
CAR | CAQ | CAH | 123.5° | 119.2° |
CAR | CAQ | NAO | 115.4° | 119.3° |
CAH | CAQ | NAO | 120.9° | 121.5° |
CAQ | CAH | CAK | 118.7° | 119.8° |
CAQ | CAH | H7 | 120.6° | 120.1° |
CAQ | NAO | CAU | 121.8° | 121.3° |
CAH | CAK | CAT | 119.0° | 118.3° |
CAK | CAH | H7 | 120.6° | 120.1° |
CAH | CAK | H8 | 120.5° | 120.9° |
NAO | CAU | CAT | 120.0° | 120.0° |
NAO | CAU | CAJ | 119.2° | 120.9° |
CAK | CAT | CAU | 119.5° | 119.1° |
CAK | CAT | CAI | 121.3° | 121.3° |
CAT | CAK | H8 | 120.5° | 120.8° |
CAT | CAU | CAJ | 120.7° | 119.1° |
CAU | CAT | CAI | 119.2° | 119.6° |
CAU | CAJ | CAC | 120.3° | 119.8° |
CAU | CAJ | H9 | 119.8° | 120.1° |
CAT | CAI | CAB | 119.7° | 119.6° |
CAT | CAI | H12 | 120.2° | 120.2° |
CAJ | CAC | CAB | 118.7° | 121.0° |
CAC | CAJ | H9 | 119.8° | 120.1° |
CAJ | CAC | H10 | 120.6° | 119.5° |
CAI | CAB | CAC | 121.4° | 120.9° |
CAI | CAB | H11 | 119.3° | 119.6° |
CAB | CAI | H12 | 120.2° | 120.2° |
CAB | CAC | H10 | 120.6° | 119.5° |
CAC | CAB | H11 | 119.3° | 119.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAA | CAP | CAE | CAD | 179.9° | 179.8° |
OAA | CAP | CAE | CAG | 179.3° | 180.0° |
OAA | CAP | CAD | CAF | 179.3° | 180.0° |
OAA | CAP | CAD | H2 | 0.7° | 0.0° |
OAA | CAP | CAE | H4 | 0.7° | 0.0° |
CAP | CAE | CAG | H4 | 180.0° | 180.0° |
CAE | CAP | CAD | CAF | 0.6° | 0.2° |
CAP | CAE | CAG | CAS | 0.6° | 0.0° |
CAE | CAP | OAA | H1 | 180.0° | 90.0° |
CAE | CAP | CAD | H2 | 179.4° | 179.7° |
CAP | CAE | CAG | H5 | 179.4° | 180.0° |
CAD | CAP | CAE | CAG | 0.6° | 0.2° |
CAP | CAD | CAF | H2 | 180.0° | 180.0° |
CAP | CAD | CAF | CAS | 0.6° | 0.0° |
CAD | CAP | OAA | H1 | 0.0° | 89.8° |
CAP | CAD | CAF | H3 | 179.4° | 180.0° |
CAD | CAP | CAE | H4 | 179.4° | 179.7° |
CAE | CAG | CAS | H5 | 180.0° | 180.0° |
CAE | CAG | CAS | CAF | 0.5° | 0.3° |
CAE | CAG | CAS | NAV | 179.5° | 180.0° |
CAD | CAF | CAS | CAG | 0.5° | 0.3° |
CAD | CAF | CAS | H3 | 180.0° | 179.9° |
CAD | CAF | CAS | NAV | 179.4° | 180.0° |
CAG | CAS | CAF | NAV | 179.9° | 179.7° |
CAG | CAS | NAV | NAN | 161.0° | 179.7° |
CAG | CAS | NAV | CAL | 19.6° | 0.6° |
CAG | CAS | CAF | H3 | 179.5° | 179.7° |
CAS | CAG | CAE | H4 | 179.4° | 180.0° |
CAF | CAS | NAV | NAN | 19.1° | 0.1° |
CAF | CAS | NAV | CAL | 160.3° | 179.7° |
CAS | CAF | CAD | H2 | 179.4° | 180.0° |
CAF | CAS | CAG | H5 | 179.5° | 179.7° |
CAS | NAV | NAN | CAL | 179.5° | 179.7° |
CAS | NAV | NAN | NAM | 179.9° | 179.9° |
CAS | NAV | CAL | CAR | 178.8° | 180.0° |
NAV | CAS | CAF | H3 | 0.6° | 0.1° |
NAV | CAS | CAG | H5 | 0.6° | 0.0° |
CAS | NAV | CAL | H6 | 1.2° | 0.0° |
NAN | NAV | CAL | CAR | 0.7° | 0.3° |
NAV | NAN | NAM | CAR | 1.8° | 0.1° |
NAN | NAV | CAL | H6 | 179.4° | 179.7° |
CAL | NAV | NAN | NAM | 0.7° | 0.2° |
NAV | CAL | CAR | H6 | 180.0° | 180.0° |
NAV | CAL | CAR | NAM | 1.8° | 0.2° |
NAV | CAL | CAR | CAQ | 176.5° | 179.9° |
NAN | NAM | CAR | CAL | 2.3° | 0.1° |
NAN | NAM | CAR | CAQ | 177.4° | 179.9° |
CAL | CAR | NAM | CAQ | 175.1° | 179.8° |
CAL | CAR | CAQ | CAH | 11.0° | 180.0° |
CAL | CAR | CAQ | NAO | 165.3° | 0.3° |
NAM | CAR | CAQ | CAH | 174.9° | 0.2° |
NAM | CAR | CAQ | NAO | 8.9° | 179.9° |
NAM | CAR | CAL | H6 | 178.2° | 179.8° |
CAR | CAQ | CAH | NAO | 176.1° | 179.8° |
CAR | CAQ | CAH | CAK | 178.0° | 180.0° |
CAR | CAQ | NAO | CAU | 177.9° | 180.0° |
CAQ | CAR | CAL | H6 | 3.5° | 0.0° |
CAR | CAQ | CAH | H7 | 2.0° | 0.0° |
CAQ | CAH | CAK | H7 | 180.0° | 180.0° |
CAH | CAQ | NAO | CAU | 1.5° | 0.2° |
CAQ | CAH | CAK | CAT | 1.4° | 0.0° |
CAQ | CAH | CAK | H8 | 178.6° | 180.0° |
NAO | CAQ | CAH | CAK | 1.9° | 0.2° |
CAQ | NAO | CAU | CAT | 0.5° | 0.0° |
CAQ | NAO | CAU | CAJ | 179.8° | 179.9° |
NAO | CAQ | CAH | H7 | 178.1° | 179.7° |
CAH | CAK | CAT | H8 | 180.0° | 180.0° |
CAH | CAK | CAT | CAU | 0.4° | 0.2° |
CAH | CAK | CAT | CAI | 179.5° | 180.0° |
NAO | CAU | CAT | CAK | 0.0° | 0.2° |
NAO | CAU | CAT | CAJ | 179.7° | 180.0° |
NAO | CAU | CAT | CAI | 179.9° | 180.0° |
NAO | CAU | CAJ | CAC | 179.7° | 180.0° |
NAO | CAU | CAJ | H9 | 0.3° | 0.0° |
CAK | CAT | CAU | CAI | 179.9° | 179.8° |
CAK | CAT | CAU | CAJ | 179.6° | 179.7° |
CAK | CAT | CAI | CAB | 179.8° | 179.7° |
CAT | CAK | CAH | H7 | 178.6° | 180.0° |
CAK | CAT | CAI | H12 | 0.2° | 0.3° |
CAT | CAU | CAJ | CAC | 0.6° | 0.0° |
CAU | CAT | CAI | CAB | 0.2° | 0.0° |
CAU | CAT | CAK | H8 | 179.5° | 179.7° |
CAT | CAU | CAJ | H9 | 179.3° | 180.0° |
CAU | CAT | CAI | H12 | 179.9° | 180.0° |
CAJ | CAU | CAT | CAI | 0.3° | 0.0° |
CAU | CAJ | CAC | H9 | 180.0° | 180.0° |
CAU | CAJ | CAC | CAB | 0.9° | 0.0° |
CAU | CAJ | CAC | H10 | 179.1° | 180.0° |
CAT | CAI | CAB | H12 | 180.0° | 180.0° |
CAT | CAI | CAB | CAC | 0.4° | 0.0° |
CAI | CAT | CAK | H8 | 0.5° | 0.0° |
CAT | CAI | CAB | H11 | 179.6° | 179.9° |
CAJ | CAC | CAB | CAI | 0.8° | 0.0° |
CAJ | CAC | CAB | H10 | 180.0° | 180.0° |
CAJ | CAC | CAB | H11 | 179.2° | 179.9° |
CAI | CAB | CAC | H11 | 180.0° | 180.0° |
CAI | CAB | CAC | H10 | 179.2° | 180.0° |
CAB | CAC | CAJ | H9 | 179.1° | 180.0° |
CAC | CAB | CAI | H12 | 179.6° | 180.0° |
H2 | CAD | CAF | H3 | 0.6° | 0.1° |
H4 | CAE | CAG | H5 | 0.6° | 0.0° |
H7 | CAH | CAK | H8 | 1.4° | 0.0° |
H9 | CAJ | CAC | H10 | 0.9° | 0.0° |
H10 | CAC | CAB | H11 | 0.8° | 0.0° |
H11 | CAB | CAI | H12 | 0.4° | 0.0° |