5L0
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
NAP | CAW | doub | 1.33Å | 1.30Å | Aromatic |
NAP | CAD | sing | 1.34Å | 1.36Å | Aromatic |
CAG | CAW | sing | 1.41Å | 1.34Å | Aromatic |
CAG | CAC | doub | 1.36Å | 1.37Å | Aromatic |
CAW | NAZ | sing | 1.37Å | 1.41Å | Aromatic |
CAD | CAH | doub | 1.35Å | 1.33Å | Aromatic |
CAC | CAE | sing | 1.40Å | 1.43Å | Aromatic |
CAH | NAZ | sing | 1.37Å | 1.35Å | Aromatic |
NAZ | CAV | sing | 1.37Å | 1.35Å | Aromatic |
CAE | CAV | doub | 1.38Å | 1.37Å | Aromatic |
CAV | CAT | sing | 1.47Å | 1.42Å | |
CAJ | CAT | sing | 1.39Å | 1.40Å | Aromatic |
CAJ | CAU | doub | 1.39Å | 1.40Å | Aromatic |
CAT | CAX | doub | 1.42Å | 1.38Å | Aromatic |
CAA | CAR | sing | 1.51Å | 1.51Å | |
CAU | CAR | sing | 1.40Å | 1.39Å | |
CAU | NBA | sing | 1.39Å | 1.39Å | Aromatic |
CAX | CAK | sing | 1.40Å | 1.39Å | Aromatic |
CAX | NBA | sing | 1.37Å | 1.40Å | Aromatic |
CAR | OAB | doub | 1.22Å | 1.26Å | |
CAK | CAS | doub | 1.39Å | 1.42Å | Aromatic |
NBA | CAI | sing | 1.36Å | 1.40Å | Aromatic |
CAO | NAY | sing | 1.47Å | 1.52Å | |
CAO | CAM | sing | 1.53Å | 1.58Å | |
CAS | NAY | sing | 1.39Å | 1.40Å | |
CAS | CAF | sing | 1.41Å | 1.43Å | Aromatic |
CAI | CAF | doub | 1.35Å | 1.39Å | Aromatic |
NAY | CAN | sing | 1.47Å | 1.55Å | |
CAM | OAQ | sing | 1.43Å | 1.40Å | |
OAQ | CAL | sing | 1.43Å | 1.41Å | |
CAN | CAL | sing | 1.53Å | 1.50Å | |
CAN | H1 | sing | 1.09Å | 1.10Å | |
CAN | H2 | sing | 1.09Å | 1.10Å | |
CAL | H3 | sing | 1.09Å | 1.10Å | |
CAL | H4 | sing | 1.09Å | 1.10Å | |
CAM | H5 | sing | 1.09Å | 1.10Å | |
CAM | H6 | sing | 1.09Å | 1.10Å | |
CAO | H7 | sing | 1.09Å | 1.10Å | |
CAO | H8 | sing | 1.09Å | 1.10Å | |
CAK | H9 | sing | 1.08Å | 1.08Å | |
CAF | H10 | sing | 1.08Å | 1.08Å | |
CAI | H11 | sing | 1.08Å | 1.08Å | |
CAA | H12 | sing | 1.09Å | 1.10Å | |
CAA | H13 | sing | 1.09Å | 1.10Å | |
CAA | H14 | sing | 1.09Å | 1.10Å | |
CAJ | H15 | sing | 1.08Å | 1.08Å | |
CAH | H16 | sing | 1.08Å | 1.08Å | |
CAD | H17 | sing | 1.08Å | 1.08Å | |
CAG | H18 | sing | 1.08Å | 1.08Å | |
CAC | H19 | sing | 1.08Å | 1.08Å | |
CAE | H20 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAW | NAP | CAD | 105.9° | 109.2° |
NAP | CAW | CAG | 129.3° | 132.2° |
NAP | CAW | NAZ | 111.0° | 108.0° |
NAP | CAD | CAH | 110.4° | 108.7° |
NAP | CAD | H17 | 124.8° | 125.7° |
CAW | CAG | CAC | 119.6° | 119.8° |
CAG | CAW | NAZ | 119.5° | 119.8° |
CAW | CAG | H18 | 120.2° | 120.1° |
CAG | CAC | CAE | 119.3° | 119.9° |
CAC | CAG | H18 | 120.2° | 120.1° |
CAG | CAC | H19 | 120.4° | 120.0° |
CAW | NAZ | CAH | 104.2° | 107.0° |
CAW | NAZ | CAV | 123.5° | 120.4° |
CAD | CAH | NAZ | 108.5° | 107.2° |
CAD | CAH | H16 | 125.7° | 126.4° |
CAH | CAD | H17 | 124.8° | 125.7° |
CAC | CAE | CAV | 121.6° | 120.0° |
CAE | CAC | H19 | 120.4° | 120.1° |
CAC | CAE | H20 | 119.2° | 120.0° |
CAH | NAZ | CAV | 132.3° | 132.6° |
NAZ | CAH | H16 | 125.8° | 126.4° |
NAZ | CAV | CAE | 116.3° | 120.1° |
NAZ | CAV | CAT | 123.8° | 119.9° |
CAE | CAV | CAT | 119.8° | 120.0° |
CAV | CAE | H20 | 119.2° | 120.0° |
CAV | CAT | CAJ | 126.9° | 126.4° |
CAV | CAT | CAX | 124.1° | 126.3° |
CAT | CAJ | CAU | 107.4° | 107.6° |
CAJ | CAT | CAX | 108.5° | 107.3° |
CAT | CAJ | H15 | 126.3° | 126.2° |
CAJ | CAU | CAR | 127.6° | 125.7° |
CAJ | CAU | NBA | 107.6° | 108.5° |
CAU | CAJ | H15 | 126.3° | 126.2° |
CAT | CAX | CAK | 136.1° | 131.8° |
CAT | CAX | NBA | 107.7° | 108.1° |
CAA | CAR | CAU | 116.7° | 120.0° |
CAA | CAR | OAB | 120.2° | 120.0° |
CAR | CAA | H12 | 109.5° | 109.5° |
CAR | CAA | H13 | 109.5° | 109.5° |
CAR | CAA | H14 | 109.5° | 109.5° |
CAR | CAU | NBA | 124.8° | 125.7° |
CAU | CAR | OAB | 122.7° | 120.0° |
CAU | NBA | CAX | 108.6° | 108.5° |
CAU | NBA | CAI | 130.6° | 131.1° |
CAK | CAX | NBA | 116.0° | 120.2° |
CAX | CAK | CAS | 126.3° | 119.2° |
CAX | CAK | H9 | 116.8° | 120.4° |
CAX | NBA | CAI | 120.8° | 120.4° |
CAK | CAS | NAY | 123.9° | 120.4° |
CAK | CAS | CAF | 115.3° | 119.1° |
CAS | CAK | H9 | 116.8° | 120.4° |
NBA | CAI | CAF | 122.5° | 121.0° |
NBA | CAI | H11 | 118.7° | 119.5° |
NAY | CAO | CAM | 113.9° | 108.4° |
CAO | NAY | CAS | 121.4° | 121.0° |
CAO | NAY | CAN | 117.5° | 118.0° |
NAY | CAO | H7 | 108.3° | 109.6° |
NAY | CAO | H8 | 108.4° | 109.6° |
CAO | CAM | OAQ | 105.6° | 109.2° |
CAO | CAM | H5 | 110.4° | 109.5° |
CAO | CAM | H6 | 110.4° | 109.6° |
CAM | CAO | H7 | 108.3° | 109.7° |
CAM | CAO | H8 | 108.3° | 109.7° |
NAY | CAS | CAF | 120.7° | 120.5° |
CAS | NAY | CAN | 120.0° | 121.0° |
CAS | CAF | CAI | 119.1° | 120.1° |
CAS | CAF | H10 | 120.5° | 120.0° |
CAI | CAF | H10 | 120.4° | 119.9° |
CAF | CAI | H11 | 118.7° | 119.5° |
NAY | CAN | CAL | 109.9° | 108.4° |
NAY | CAN | H1 | 109.4° | 109.7° |
NAY | CAN | H2 | 109.4° | 109.7° |
CAM | OAQ | CAL | 114.3° | 114.1° |
OAQ | CAM | H5 | 110.4° | 109.5° |
OAQ | CAM | H6 | 110.5° | 109.5° |
OAQ | CAL | CAN | 102.8° | 109.2° |
OAQ | CAL | H3 | 111.1° | 109.5° |
OAQ | CAL | H4 | 111.1° | 109.5° |
CAL | CAN | H1 | 109.4° | 109.7° |
CAL | CAN | H2 | 109.4° | 109.7° |
CAN | CAL | H3 | 111.1° | 109.5° |
CAN | CAL | H4 | 111.1° | 109.6° |
H1 | CAN | H2 | 109.5° | 109.6° |
H3 | CAL | H4 | 109.4° | 109.5° |
H5 | CAM | H6 | 109.5° | 109.5° |
H7 | CAO | H8 | 109.5° | 109.7° |
H12 | CAA | H13 | 109.4° | 109.4° |
H12 | CAA | H14 | 109.5° | 109.5° |
H13 | CAA | H14 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
NAP | CAW | CAG | NAZ | 173.8° | 180.0° |
NAP | CAW | CAG | CAC | 179.6° | 180.0° |
CAW | NAP | CAD | CAH | 1.0° | 0.0° |
NAP | CAW | NAZ | CAH | 2.4° | 0.0° |
NAP | CAW | NAZ | CAV | 178.5° | 180.0° |
CAW | NAP | CAD | H17 | 179.0° | 179.9° |
NAP | CAW | CAG | H18 | 0.5° | 0.0° |
CAD | NAP | CAW | CAG | 175.2° | 180.0° |
CAD | NAP | CAW | NAZ | 0.9° | 0.0° |
NAP | CAD | CAH | H17 | 180.0° | 180.0° |
NAP | CAD | CAH | NAZ | 2.6° | 0.0° |
NAP | CAD | CAH | H16 | 177.5° | 180.0° |
CAW | CAG | CAC | H18 | 180.0° | 180.0° |
CAW | CAG | CAC | CAE | 5.7° | 0.3° |
CAG | CAW | NAZ | CAH | 177.3° | 180.0° |
CAG | CAW | NAZ | CAV | 3.6° | 0.0° |
CAW | CAG | CAC | H19 | 174.3° | 180.0° |
CAC | CAG | CAW | NAZ | 5.7° | 0.0° |
CAG | CAC | CAE | H19 | 180.0° | 179.7° |
CAG | CAC | CAE | CAV | 3.6° | 0.6° |
CAG | CAC | CAE | H20 | 176.5° | 180.0° |
CAW | NAZ | CAH | CAD | 2.9° | 0.0° |
CAW | NAZ | CAH | CAV | 179.0° | 180.0° |
CAW | NAZ | CAV | CAE | 1.4° | 0.3° |
CAW | NAZ | CAV | CAT | 177.0° | 180.0° |
CAW | NAZ | CAH | H16 | 177.1° | 180.0° |
NAZ | CAW | CAG | H18 | 174.3° | 180.0° |
CAD | CAH | NAZ | H16 | 180.0° | 179.9° |
CAD | CAH | NAZ | CAV | 178.1° | 180.0° |
CAC | CAE | CAV | NAZ | 1.3° | 0.6° |
CAC | CAE | CAV | H20 | 180.0° | 179.4° |
CAC | CAE | CAV | CAT | 177.2° | 179.7° |
CAE | CAC | CAG | H18 | 174.3° | 179.7° |
CAH | NAZ | CAV | CAE | 179.8° | 179.7° |
CAH | NAZ | CAV | CAT | 4.2° | 0.0° |
NAZ | CAH | CAD | H17 | 177.4° | 179.9° |
NAZ | CAV | CAE | CAT | 175.8° | 179.7° |
NAZ | CAV | CAT | CAJ | 43.6° | 75.0° |
NAZ | CAV | CAT | CAX | 127.0° | 105.0° |
CAV | NAZ | CAH | H16 | 1.9° | 0.1° |
NAZ | CAV | CAE | H20 | 178.7° | 180.0° |
CAE | CAV | CAT | CAJ | 140.9° | 104.7° |
CAE | CAV | CAT | CAX | 48.5° | 75.3° |
CAV | CAE | CAC | H19 | 176.4° | 179.7° |
CAV | CAT | CAJ | CAX | 171.8° | 179.9° |
CAV | CAT | CAJ | CAU | 174.6° | 179.9° |
CAV | CAT | CAX | CAK | 9.7° | 0.1° |
CAV | CAT | CAX | NBA | 176.7° | 179.9° |
CAV | CAT | CAJ | H15 | 5.4° | 0.1° |
CAT | CAV | CAE | H20 | 2.8° | 0.3° |
CAT | CAJ | CAU | H15 | 180.0° | 180.0° |
CAT | CAJ | CAU | CAR | 179.7° | 180.0° |
CAT | CAJ | CAU | NBA | 0.2° | 0.0° |
CAJ | CAT | CAX | CAK | 178.2° | 180.0° |
CAJ | CAT | CAX | NBA | 4.6° | 0.0° |
CAU | CAJ | CAT | CAX | 2.8° | 0.0° |
CAJ | CAU | CAR | CAA | 4.8° | 0.0° |
CAJ | CAU | CAR | NBA | 179.9° | 180.0° |
CAJ | CAU | NBA | CAX | 3.1° | 0.0° |
CAJ | CAU | CAR | OAB | 168.3° | 180.0° |
CAJ | CAU | NBA | CAI | 178.6° | 179.6° |
CAT | CAX | NBA | CAU | 4.8° | 0.0° |
CAT | CAX | CAK | NBA | 173.2° | 180.0° |
CAT | CAX | CAK | CAS | 174.8° | 180.0° |
CAT | CAX | NBA | CAI | 176.7° | 179.7° |
CAT | CAX | CAK | H9 | 5.2° | 0.0° |
CAX | CAT | CAJ | H15 | 177.2° | 180.0° |
CAA | CAR | CAU | OAB | 173.1° | 180.0° |
CAA | CAR | CAU | NBA | 175.3° | 180.0° |
CAR | CAA | H12 | H13 | 120.0° | 120.0° |
CAR | CAA | H12 | H14 | 120.0° | 120.0° |
CAR | CAA | H13 | H14 | 120.0° | 120.0° |
CAR | CAU | NBA | CAX | 176.9° | 180.0° |
CAR | CAU | NBA | CAI | 1.4° | 0.4° |
CAU | CAR | CAA | H12 | 173.3° | 90.0° |
CAU | CAR | CAA | H13 | 66.7° | 150.0° |
CAU | CAR | CAA | H14 | 53.3° | 30.0° |
CAR | CAU | CAJ | H15 | 0.3° | 0.0° |
CAU | NBA | CAX | CAK | 179.9° | 180.0° |
CAU | NBA | CAX | CAI | 178.5° | 179.7° |
NBA | CAU | CAR | OAB | 11.6° | 0.0° |
CAU | NBA | CAI | CAF | 179.0° | 179.9° |
CAU | NBA | CAI | H11 | 1.0° | 0.1° |
NBA | CAU | CAJ | H15 | 179.8° | 180.0° |
CAX | CAK | CAS | H9 | 180.0° | 179.9° |
CAK | CAX | NBA | CAI | 1.6° | 0.3° |
CAX | CAK | CAS | NAY | 176.6° | 180.0° |
CAX | CAK | CAS | CAF | 0.7° | 0.2° |
NBA | CAX | CAK | CAS | 1.6° | 0.1° |
CAX | NBA | CAI | CAF | 0.9° | 0.3° |
NBA | CAX | CAK | H9 | 178.4° | 180.0° |
CAX | NBA | CAI | H11 | 179.1° | 179.7° |
OAB | CAR | CAA | H12 | 0.0° | 90.0° |
OAB | CAR | CAA | H13 | 120.0° | 30.0° |
OAB | CAR | CAA | H14 | 120.0° | 150.0° |
CAK | CAS | NAY | CAO | 9.9° | 6.3° |
CAK | CAS | NAY | CAF | 175.7° | 179.7° |
CAK | CAS | CAF | CAI | 0.2° | 0.2° |
CAK | CAS | NAY | CAN | 157.6° | 173.7° |
CAK | CAS | CAF | H10 | 179.8° | 179.8° |
NBA | CAI | CAF | CAS | 0.1° | 0.0° |
NBA | CAI | CAF | H11 | 180.0° | 180.0° |
NBA | CAI | CAF | H10 | 179.9° | 180.0° |
NAY | CAO | CAM | H7 | 120.6° | 119.7° |
NAY | CAO | CAM | H8 | 120.7° | 119.7° |
CAO | NAY | CAS | CAN | 167.6° | 180.0° |
CAO | NAY | CAS | CAF | 174.3° | 173.5° |
NAY | CAO | CAM | OAQ | 36.3° | 52.3° |
CAO | NAY | CAN | CAL | 36.2° | 50.5° |
CAO | NAY | CAN | H1 | 83.8° | 69.2° |
CAO | NAY | CAN | H2 | 156.3° | 170.3° |
NAY | CAO | CAM | H5 | 83.1° | 67.6° |
NAY | CAO | CAM | H6 | 155.7° | 172.2° |
NAY | CAO | H7 | H8 | 118.0° | 120.4° |
CAM | CAO | NAY | CAS | 167.3° | 129.5° |
CAM | CAO | NAY | CAN | 24.8° | 50.5° |
CAO | CAM | OAQ | H5 | 119.4° | 119.9° |
CAO | CAM | OAQ | H6 | 119.4° | 120.0° |
CAO | CAM | OAQ | CAL | 69.3° | 62.5° |
CAO | CAM | H5 | H6 | 121.8° | 120.2° |
CAM | CAO | H7 | H8 | 117.9° | 120.6° |
NAY | CAS | CAF | CAI | 175.9° | 180.0° |
CAS | NAY | CAN | CAL | 155.7° | 129.5° |
CAS | NAY | CAN | H1 | 84.2° | 110.8° |
CAS | NAY | CAN | H2 | 35.6° | 9.7° |
CAS | NAY | CAO | H7 | 46.7° | 9.7° |
CAS | NAY | CAO | H8 | 72.0° | 110.8° |
NAY | CAS | CAK | H9 | 3.4° | 0.0° |
NAY | CAS | CAF | H10 | 4.1° | 0.0° |
CAS | CAF | CAI | H10 | 180.0° | 180.0° |
CAF | CAS | NAY | CAN | 18.1° | 6.5° |
CAF | CAS | CAK | H9 | 179.3° | 179.7° |
CAS | CAF | CAI | H11 | 179.9° | 180.0° |
NAY | CAN | CAL | OAQ | 58.0° | 52.3° |
NAY | CAN | CAL | H1 | 120.1° | 119.8° |
NAY | CAN | CAL | H2 | 120.1° | 119.8° |
NAY | CAN | H1 | H2 | 119.8° | 120.5° |
NAY | CAN | CAL | H3 | 61.0° | 67.6° |
NAY | CAN | CAL | H4 | 176.9° | 172.3° |
CAN | NAY | CAO | H7 | 145.4° | 170.3° |
CAN | NAY | CAO | H8 | 95.9° | 69.3° |
CAM | OAQ | CAL | CAN | 82.7° | 62.5° |
CAM | OAQ | CAL | H3 | 36.2° | 57.4° |
CAM | OAQ | CAL | H4 | 158.3° | 177.5° |
OAQ | CAM | H5 | H6 | 121.8° | 120.1° |
OAQ | CAM | CAO | H7 | 156.9° | 172.0° |
OAQ | CAM | CAO | H8 | 84.4° | 67.4° |
OAQ | CAL | CAN | H3 | 119.0° | 119.9° |
OAQ | CAL | CAN | H4 | 118.9° | 120.0° |
OAQ | CAL | CAN | H1 | 62.1° | 67.5° |
OAQ | CAL | CAN | H2 | 178.1° | 172.1° |
OAQ | CAL | H3 | H4 | 123.1° | 120.1° |
CAL | OAQ | CAM | H5 | 50.1° | 57.4° |
CAL | OAQ | CAM | H6 | 171.3° | 177.5° |
CAL | CAN | H1 | H2 | 119.8° | 120.5° |
CAN | CAL | H3 | H4 | 123.1° | 120.2° |
H1 | CAN | CAL | H3 | 179.0° | 172.7° |
H1 | CAN | CAL | H4 | 56.9° | 52.5° |
H2 | CAN | CAL | H3 | 59.1° | 52.2° |
H2 | CAN | CAL | H4 | 63.0° | 67.9° |
H5 | CAM | CAO | H7 | 37.5° | 52.1° |
H5 | CAM | CAO | H8 | 156.2° | 172.7° |
H6 | CAM | CAO | H7 | 83.7° | 68.1° |
H6 | CAM | CAO | H8 | 35.0° | 52.5° |
H10 | CAF | CAI | H11 | 0.1° | 0.0° |
H12 | CAA | H13 | H14 | 120.0° | 120.0° |
H16 | CAH | CAD | H17 | 2.6° | 0.0° |
H18 | CAG | CAC | H19 | 5.7° | 0.0° |
H19 | CAC | CAE | H20 | 3.6° | 0.3° |