5Q1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAE | CAO | doub | 1.21Å | 1.25Å | |
CAO | OAA | sing | 1.35Å | 1.26Å | |
CAO | CAS | sing | 1.48Å | 1.56Å | |
CAI | CAS | doub | 1.40Å | 1.39Å | Aromatic |
CAI | CAG | sing | 1.38Å | 1.41Å | Aromatic |
CAS | CAJ | sing | 1.40Å | 1.38Å | Aromatic |
CAG | CAR | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CAH | doub | 1.38Å | 1.41Å | Aromatic |
OAC | CAQ | doub | 1.21Å | 1.28Å | |
CAR | CAH | sing | 1.38Å | 1.39Å | Aromatic |
CAR | CAM | sing | 1.51Å | 1.53Å | |
CAK | CAL | sing | 1.53Å | 1.55Å | |
CAK | CAQ | sing | 1.51Å | 1.55Å | |
CAL | CAT | sing | 1.53Å | 1.53Å | |
CAQ | NAN | sing | 1.35Å | 1.33Å | |
CAM | CAT | sing | 1.53Å | 1.56Å | |
CAT | CAP | sing | 1.51Å | 1.56Å | |
NAN | OAD | sing | 1.42Å | 1.39Å | |
OAB | CAP | doub | 1.21Å | 1.27Å | |
CAP | OAF | sing | 1.34Å | 1.27Å | |
CAG | H1 | sing | 1.08Å | 1.08Å | |
CAI | H2 | sing | 1.08Å | 1.08Å | |
OAA | H3 | sing | 0.97Å | 0.95Å | |
CAJ | H4 | sing | 1.08Å | 1.08Å | |
CAH | H5 | sing | 1.08Å | 1.08Å | |
CAM | H6 | sing | 1.09Å | 1.10Å | |
CAM | H7 | sing | 1.09Å | 1.10Å | |
CAT | H8 | sing | 1.09Å | 1.10Å | |
OAF | H9 | sing | 0.97Å | 0.95Å | |
CAL | H10 | sing | 1.09Å | 1.10Å | |
CAL | H11 | sing | 1.09Å | 1.10Å | |
CAK | H12 | sing | 1.09Å | 1.10Å | |
CAK | H13 | sing | 1.09Å | 1.10Å | |
NAN | H14 | sing | 0.97Å | 1.00Å | |
OAD | H15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAE | CAO | OAA | 126.0° | 120.0° |
OAE | CAO | CAS | 118.0° | 120.0° |
OAA | CAO | CAS | 116.0° | 120.0° |
CAO | OAA | H3 | 109.5° | 117.0° |
CAO | CAS | CAI | 121.0° | 120.2° |
CAO | CAS | CAJ | 116.7° | 120.1° |
CAS | CAI | CAG | 117.6° | 119.9° |
CAI | CAS | CAJ | 122.3° | 119.7° |
CAS | CAI | H2 | 121.2° | 120.1° |
CAI | CAG | CAR | 119.8° | 120.1° |
CAI | CAG | H1 | 120.1° | 120.0° |
CAG | CAI | H2 | 121.2° | 120.0° |
CAS | CAJ | CAH | 120.4° | 119.8° |
CAS | CAJ | H4 | 119.8° | 120.1° |
CAG | CAR | CAH | 122.7° | 120.3° |
CAG | CAR | CAM | 119.9° | 119.9° |
CAR | CAG | H1 | 120.1° | 119.9° |
CAJ | CAH | CAR | 117.2° | 120.2° |
CAH | CAJ | H4 | 119.8° | 120.1° |
CAJ | CAH | H5 | 121.4° | 120.0° |
OAC | CAQ | CAK | 127.2° | 120.0° |
OAC | CAQ | NAN | 121.0° | 119.9° |
CAH | CAR | CAM | 117.4° | 119.9° |
CAR | CAH | H5 | 121.4° | 119.8° |
CAR | CAM | CAT | 112.4° | 109.5° |
CAR | CAM | H6 | 108.7° | 109.4° |
CAR | CAM | H7 | 108.7° | 109.5° |
CAL | CAK | CAQ | 115.9° | 109.5° |
CAK | CAL | CAT | 115.5° | 109.5° |
CAK | CAL | H10 | 107.9° | 109.4° |
CAK | CAL | H11 | 108.0° | 109.5° |
CAL | CAK | H12 | 107.8° | 109.5° |
CAL | CAK | H13 | 107.9° | 109.5° |
CAK | CAQ | NAN | 111.7° | 120.0° |
CAQ | CAK | H12 | 107.8° | 109.4° |
CAQ | CAK | H13 | 107.8° | 109.5° |
CAL | CAT | CAM | 107.8° | 109.5° |
CAL | CAT | CAP | 111.1° | 109.5° |
CAL | CAT | H8 | 111.2° | 109.4° |
CAT | CAL | H10 | 108.0° | 109.5° |
CAT | CAL | H11 | 107.9° | 109.5° |
CAQ | NAN | OAD | 118.7° | 120.0° |
CAQ | NAN | H14 | 120.6° | 120.0° |
CAM | CAT | CAP | 105.0° | 109.5° |
CAT | CAM | H6 | 108.7° | 109.5° |
CAT | CAM | H7 | 108.7° | 109.5° |
CAM | CAT | H8 | 110.7° | 109.5° |
CAT | CAP | OAB | 115.4° | 120.0° |
CAT | CAP | OAF | 116.0° | 120.0° |
CAP | CAT | H8 | 110.7° | 109.5° |
OAD | NAN | H14 | 120.7° | 120.0° |
NAN | OAD | H15 | 109.5° | 114.0° |
OAB | CAP | OAF | 128.6° | 120.0° |
CAP | OAF | H9 | 109.5° | 117.0° |
H6 | CAM | H7 | 109.5° | 109.5° |
H10 | CAL | H11 | 109.5° | 109.5° |
H12 | CAK | H13 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAE | CAO | OAA | CAS | 178.3° | 180.0° |
OAE | CAO | CAS | CAI | 0.2° | 0.0° |
OAE | CAO | CAS | CAJ | 177.7° | 180.0° |
OAE | CAO | OAA | H3 | 0.0° | 0.0° |
OAA | CAO | CAS | CAI | 178.2° | 180.0° |
OAA | CAO | CAS | CAJ | 3.8° | 0.1° |
CAO | CAS | CAI | CAJ | 177.9° | 179.9° |
CAO | CAS | CAI | CAG | 179.4° | 180.0° |
CAO | CAS | CAJ | CAH | 178.5° | 180.0° |
CAO | CAS | CAI | H2 | 0.5° | 0.1° |
CAS | CAO | OAA | H3 | 178.3° | 180.0° |
CAO | CAS | CAJ | H4 | 1.5° | 0.1° |
CAS | CAI | CAG | H2 | 180.0° | 180.0° |
CAS | CAI | CAG | CAR | 2.4° | 0.0° |
CAI | CAS | CAJ | CAH | 0.5° | 0.0° |
CAS | CAI | CAG | H1 | 177.5° | 179.7° |
CAI | CAS | CAJ | H4 | 179.4° | 179.9° |
CAG | CAI | CAS | CAJ | 2.7° | 0.0° |
CAI | CAG | CAR | H1 | 180.0° | 179.7° |
CAI | CAG | CAR | CAH | 0.0° | 0.0° |
CAI | CAG | CAR | CAM | 179.6° | 179.7° |
CAS | CAJ | CAH | H4 | 180.0° | 179.9° |
CAS | CAJ | CAH | CAR | 1.9° | 0.0° |
CAJ | CAS | CAI | H2 | 177.3° | 180.0° |
CAS | CAJ | CAH | H5 | 178.1° | 180.0° |
CAG | CAR | CAH | CAJ | 2.1° | 0.0° |
CAG | CAR | CAH | CAM | 179.6° | 179.7° |
CAG | CAR | CAM | CAT | 95.9° | 95.7° |
CAR | CAG | CAI | H2 | 177.6° | 180.0° |
CAG | CAR | CAH | H5 | 177.8° | 180.0° |
CAG | CAR | CAM | H6 | 143.6° | 144.3° |
CAG | CAR | CAM | H7 | 24.5° | 24.3° |
CAJ | CAH | CAR | H5 | 180.0° | 180.0° |
CAJ | CAH | CAR | CAM | 177.5° | 179.7° |
OAC | CAQ | CAK | CAL | 53.3° | 0.0° |
OAC | CAQ | CAK | NAN | 176.6° | 179.9° |
OAC | CAQ | NAN | OAD | 5.3° | 0.1° |
OAC | CAQ | CAK | H12 | 174.2° | 119.9° |
OAC | CAQ | CAK | H13 | 67.7° | 120.0° |
OAC | CAQ | NAN | H14 | 174.6° | 180.0° |
CAH | CAR | CAM | CAT | 84.4° | 84.6° |
CAH | CAR | CAG | H1 | 179.9° | 179.7° |
CAR | CAH | CAJ | H4 | 178.1° | 179.9° |
CAH | CAR | CAM | H6 | 36.0° | 35.4° |
CAH | CAR | CAM | H7 | 155.1° | 155.4° |
CAR | CAM | CAT | CAL | 69.4° | 66.1° |
CAR | CAM | CAT | H6 | 120.4° | 120.0° |
CAR | CAM | CAT | H7 | 120.4° | 120.0° |
CAR | CAM | CAT | CAP | 172.0° | 173.9° |
CAM | CAR | CAG | H1 | 0.3° | 0.0° |
CAM | CAR | CAH | H5 | 2.6° | 0.3° |
CAR | CAM | H6 | H7 | 118.7° | 120.0° |
CAR | CAM | CAT | H8 | 52.4° | 53.9° |
CAL | CAK | CAQ | H12 | 120.9° | 120.0° |
CAL | CAK | CAQ | H13 | 121.0° | 120.0° |
CAK | CAL | CAT | H10 | 120.9° | 120.0° |
CAK | CAL | CAT | H11 | 120.9° | 120.0° |
CAL | CAK | CAQ | NAN | 130.1° | 180.0° |
CAK | CAL | CAT | CAM | 173.6° | 175.0° |
CAK | CAL | CAT | CAP | 59.0° | 65.0° |
CAK | CAL | CAT | H8 | 64.8° | 55.0° |
CAK | CAL | H10 | H11 | 117.2° | 120.0° |
CAL | CAK | H12 | H13 | 117.1° | 120.0° |
CAQ | CAK | CAL | CAT | 49.8° | 180.0° |
CAK | CAQ | NAN | OAD | 177.8° | 180.0° |
CAQ | CAK | CAL | H10 | 71.1° | 60.0° |
CAQ | CAK | CAL | H11 | 170.7° | 60.0° |
CAQ | CAK | H12 | H13 | 117.1° | 120.0° |
CAK | CAQ | NAN | H14 | 2.2° | 0.0° |
CAL | CAT | CAM | CAP | 118.6° | 120.0° |
CAL | CAT | CAM | H8 | 121.8° | 120.0° |
CAL | CAT | CAP | H8 | 124.1° | 120.0° |
CAL | CAT | CAP | OAB | 41.2° | 83.6° |
CAL | CAT | CAP | OAF | 140.3° | 96.4° |
CAL | CAT | CAM | H6 | 170.2° | 173.9° |
CAL | CAT | CAM | H7 | 51.0° | 53.9° |
CAT | CAL | H10 | H11 | 117.2° | 120.0° |
CAT | CAL | CAK | H12 | 71.1° | 60.1° |
CAT | CAL | CAK | H13 | 170.7° | 60.0° |
CAQ | NAN | OAD | H14 | 180.0° | 179.9° |
NAN | CAQ | CAK | H12 | 9.2° | 60.0° |
NAN | CAQ | CAK | H13 | 109.0° | 60.0° |
CAQ | NAN | OAD | H15 | 2.6° | 180.0° |
CAM | CAT | CAP | H8 | 119.6° | 120.0° |
CAM | CAT | CAP | OAB | 75.2° | 36.4° |
CAM | CAT | CAP | OAF | 103.4° | 143.6° |
CAT | CAM | H6 | H7 | 118.7° | 120.0° |
CAM | CAT | CAL | H10 | 65.5° | 65.0° |
CAM | CAT | CAL | H11 | 52.7° | 55.0° |
CAT | CAP | OAB | OAF | 178.3° | 180.0° |
CAP | CAT | CAM | H6 | 51.6° | 53.9° |
CAP | CAT | CAM | H7 | 67.6° | 66.2° |
CAT | CAP | OAF | H9 | 178.3° | 180.0° |
CAP | CAT | CAL | H10 | 179.9° | 55.0° |
CAP | CAT | CAL | H11 | 61.9° | 175.0° |
OAB | CAP | CAT | H8 | 165.2° | 156.4° |
OAB | CAP | OAF | H9 | 0.0° | 0.0° |
OAF | CAP | CAT | H8 | 16.2° | 23.6° |
H1 | CAG | CAI | H2 | 2.5° | 0.3° |
H4 | CAJ | CAH | H5 | 1.9° | 0.1° |
H6 | CAM | CAT | H8 | 68.0° | 66.1° |
H7 | CAM | CAT | H8 | 172.9° | 173.8° |
H8 | CAT | CAL | H10 | 56.0° | 175.0° |
H8 | CAT | CAL | H11 | 174.3° | 65.0° |
H10 | CAL | CAK | H12 | 168.0° | 179.9° |
H10 | CAL | CAK | H13 | 49.8° | 60.0° |
H11 | CAL | CAK | H12 | 49.7° | 60.0° |
H11 | CAL | CAK | H13 | 68.4° | 180.0° |
H14 | NAN | OAD | H15 | 177.4° | 0.1° |