4QH
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAG | SBI | doub | 1.42Å | 1.53Å | |
CAN | CAM | doub | 1.38Å | 1.39Å | Aromatic |
CAN | CBC | sing | 1.38Å | 1.41Å | Aromatic |
CAM | CAZ | sing | 1.39Å | 1.40Å | Aromatic |
CAB | OAT | sing | 1.43Å | 1.46Å | |
SBI | CBC | sing | 1.76Å | 1.79Å | |
SBI | OAH | doub | 1.42Å | 1.53Å | |
SBI | NAR | sing | 1.66Å | 1.85Å | |
CBC | CAO | doub | 1.38Å | 1.40Å | Aromatic |
CAZ | OAT | sing | 1.36Å | 1.36Å | |
CAZ | CBA | doub | 1.39Å | 1.41Å | Aromatic |
CAO | CBA | sing | 1.39Å | 1.39Å | Aromatic |
CBA | OAU | sing | 1.36Å | 1.38Å | |
NAR | CAY | sing | 1.40Å | 1.38Å | |
OAU | CAC | sing | 1.43Å | 1.43Å | |
CAJ | CAL | doub | 1.38Å | 1.39Å | Aromatic |
CAJ | CAW | sing | 1.39Å | 1.39Å | Aromatic |
CAL | CAX | sing | 1.39Å | 1.38Å | Aromatic |
CAY | CAP | doub | 1.39Å | 1.41Å | Aromatic |
CAY | CBB | sing | 1.39Å | 1.42Å | Aromatic |
OAS | CAW | sing | 1.36Å | 1.38Å | |
OAS | CAA | sing | 1.43Å | 1.41Å | |
CAW | CAI | doub | 1.39Å | 1.40Å | Aromatic |
OAV | CAX | sing | 1.36Å | 1.37Å | |
OAV | CBB | sing | 1.36Å | 1.38Å | |
CAX | CAK | doub | 1.39Å | 1.38Å | Aromatic |
CAI | CAK | sing | 1.38Å | 1.39Å | Aromatic |
CAP | CBE | sing | 1.39Å | 1.35Å | Aromatic |
CBB | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
CBE | CBF | doub | 1.40Å | 1.38Å | Aromatic |
CBE | NBG | sing | 1.39Å | 1.32Å | |
CAQ | CBF | sing | 1.39Å | 1.33Å | Aromatic |
CAD | NBG | sing | 1.46Å | 1.48Å | |
CBF | NBH | sing | 1.40Å | 1.33Å | |
NBG | CBD | sing | 1.35Å | 1.34Å | |
NBH | CBD | sing | 1.35Å | 1.34Å | |
NBH | CAE | sing | 1.47Å | 1.46Å | |
CBD | OAF | doub | 1.22Å | 1.21Å | |
CAC | H1 | sing | 1.09Å | 1.10Å | |
CAC | H2 | sing | 1.09Å | 1.10Å | |
CAC | H3 | sing | 1.09Å | 1.10Å | |
CAO | H4 | sing | 1.08Å | 1.08Å | |
CAB | H5 | sing | 1.09Å | 1.10Å | |
CAB | H6 | sing | 1.09Å | 1.10Å | |
CAB | H7 | sing | 1.09Å | 1.10Å | |
CAM | H8 | sing | 1.08Å | 1.08Å | |
CAN | H9 | sing | 1.08Å | 1.08Å | |
NAR | H10 | sing | 0.97Å | 1.00Å | |
CAP | H11 | sing | 1.08Å | 1.08Å | |
CAD | H12 | sing | 1.09Å | 1.10Å | |
CAD | H13 | sing | 1.09Å | 1.10Å | |
CAD | H14 | sing | 1.09Å | 1.10Å | |
CAE | H15 | sing | 1.09Å | 1.10Å | |
CAE | H16 | sing | 1.09Å | 1.10Å | |
CAE | H17 | sing | 1.09Å | 1.10Å | |
CAQ | H18 | sing | 1.08Å | 1.08Å | |
CAK | H19 | sing | 1.08Å | 1.08Å | |
CAI | H20 | sing | 1.08Å | 1.08Å | |
CAA | H21 | sing | 1.09Å | 1.10Å | |
CAA | H22 | sing | 1.09Å | 1.10Å | |
CAA | H23 | sing | 1.09Å | 1.10Å | |
CAJ | H24 | sing | 1.08Å | 1.08Å | |
CAL | H25 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAG | SBI | CBC | 107.4° | 106.4° |
OAG | SBI | OAH | 107.7° | 123.2° |
OAG | SBI | NAR | 109.0° | 106.4° |
CAM | CAN | CBC | 119.9° | 120.2° |
CAN | CAM | CAZ | 118.6° | 120.0° |
CAN | CAM | H8 | 120.7° | 120.0° |
CAM | CAN | H9 | 120.0° | 119.9° |
CAN | CBC | SBI | 119.7° | 119.9° |
CAN | CBC | CAO | 121.3° | 120.1° |
CBC | CAN | H9 | 120.0° | 119.9° |
CAM | CAZ | OAT | 120.8° | 120.0° |
CAM | CAZ | CBA | 121.9° | 119.9° |
CAZ | CAM | H8 | 120.7° | 120.0° |
CAB | OAT | CAZ | 112.1° | 117.0° |
OAT | CAB | H5 | 109.5° | 109.5° |
OAT | CAB | H6 | 109.5° | 109.4° |
OAT | CAB | H7 | 109.4° | 109.5° |
CBC | SBI | OAH | 109.4° | 106.4° |
CBC | SBI | NAR | 111.0° | 107.2° |
SBI | CBC | CAO | 119.0° | 120.0° |
OAH | SBI | NAR | 112.1° | 106.4° |
SBI | NAR | CAY | 122.4° | 120.0° |
SBI | NAR | H10 | 106.2° | 120.0° |
CBC | CAO | CBA | 119.0° | 120.0° |
CBC | CAO | H4 | 120.5° | 120.0° |
OAT | CAZ | CBA | 117.3° | 120.1° |
CAZ | CBA | CAO | 119.4° | 119.8° |
CAZ | CBA | OAU | 116.6° | 120.0° |
CAO | CBA | OAU | 124.0° | 120.1° |
CBA | CAO | H4 | 120.5° | 119.9° |
CBA | OAU | CAC | 117.2° | 117.0° |
NAR | CAY | CAP | 124.9° | 120.0° |
NAR | CAY | CBB | 118.2° | 120.0° |
CAY | NAR | H10 | 106.1° | 120.0° |
OAU | CAC | H1 | 109.5° | 109.4° |
OAU | CAC | H2 | 109.5° | 109.5° |
OAU | CAC | H3 | 109.5° | 109.5° |
CAL | CAJ | CAW | 121.3° | 120.0° |
CAJ | CAL | CAX | 120.9° | 120.0° |
CAL | CAJ | H24 | 119.4° | 120.0° |
CAJ | CAL | H25 | 119.6° | 120.0° |
CAJ | CAW | OAS | 118.2° | 120.0° |
CAJ | CAW | CAI | 118.2° | 120.0° |
CAW | CAJ | H24 | 119.4° | 120.0° |
CAL | CAX | OAV | 118.4° | 120.0° |
CAL | CAX | CAK | 118.0° | 120.0° |
CAX | CAL | H25 | 119.6° | 120.0° |
CAP | CAY | CBB | 117.0° | 120.1° |
CAY | CAP | CBE | 120.3° | 119.9° |
CAY | CAP | H11 | 119.9° | 120.1° |
CAY | CBB | OAV | 119.8° | 119.9° |
CAY | CBB | CAQ | 120.3° | 120.1° |
CAW | OAS | CAA | 114.4° | 117.0° |
OAS | CAW | CAI | 123.6° | 120.0° |
OAS | CAA | H21 | 109.5° | 109.5° |
OAS | CAA | H22 | 109.5° | 109.5° |
OAS | CAA | H23 | 109.5° | 109.5° |
CAW | CAI | CAK | 119.7° | 120.0° |
CAW | CAI | H20 | 120.2° | 120.0° |
CAX | OAV | CBB | 117.4° | 118.0° |
OAV | CAX | CAK | 123.6° | 120.0° |
OAV | CBB | CAQ | 120.0° | 119.9° |
CAX | CAK | CAI | 122.0° | 120.0° |
CAX | CAK | H19 | 119.0° | 120.0° |
CAI | CAK | H19 | 119.0° | 120.0° |
CAK | CAI | H20 | 120.1° | 120.0° |
CAP | CBE | CBF | 121.3° | 120.0° |
CAP | CBE | NBG | 131.2° | 133.2° |
CBE | CAP | H11 | 119.8° | 120.0° |
CBB | CAQ | CBF | 120.6° | 119.8° |
CBB | CAQ | H18 | 119.7° | 120.1° |
CBF | CBE | NBG | 107.5° | 106.8° |
CBE | CBF | CAQ | 120.5° | 120.1° |
CBE | CBF | NBH | 109.0° | 106.8° |
CBE | NBG | CAD | 127.0° | 125.8° |
CBE | NBG | CBD | 106.8° | 108.4° |
CAQ | CBF | NBH | 130.5° | 133.2° |
CBF | CAQ | H18 | 119.7° | 120.1° |
CAD | NBG | CBD | 126.1° | 125.8° |
NBG | CAD | H12 | 109.5° | 109.5° |
NBG | CAD | H13 | 109.5° | 109.5° |
NBG | CAD | H14 | 109.5° | 109.5° |
CBF | NBH | CBD | 105.6° | 108.4° |
CBF | NBH | CAE | 129.6° | 125.8° |
NBG | CBD | NBH | 111.1° | 109.7° |
NBG | CBD | OAF | 124.7° | 125.1° |
CBD | NBH | CAE | 124.7° | 125.8° |
NBH | CBD | OAF | 124.2° | 125.2° |
NBH | CAE | H15 | 109.5° | 109.5° |
NBH | CAE | H16 | 109.5° | 109.5° |
NBH | CAE | H17 | 109.5° | 109.4° |
H1 | CAC | H2 | 109.5° | 109.5° |
H1 | CAC | H3 | 109.5° | 109.5° |
H2 | CAC | H3 | 109.5° | 109.5° |
H5 | CAB | H6 | 109.5° | 109.5° |
H5 | CAB | H7 | 109.5° | 109.5° |
H6 | CAB | H7 | 109.5° | 109.5° |
H12 | CAD | H13 | 109.5° | 109.5° |
H12 | CAD | H14 | 109.5° | 109.5° |
H13 | CAD | H14 | 109.5° | 109.4° |
H15 | CAE | H16 | 109.5° | 109.5° |
H15 | CAE | H17 | 109.4° | 109.5° |
H16 | CAE | H17 | 109.5° | 109.5° |
H21 | CAA | H22 | 109.5° | 109.5° |
H21 | CAA | H23 | 109.4° | 109.5° |
H22 | CAA | H23 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAG | SBI | CBC | CAN | 43.9° | 156.4° |
OAG | SBI | CBC | OAH | 116.6° | 132.9° |
OAG | SBI | CBC | NAR | 119.1° | 113.5° |
OAG | SBI | OAH | NAR | 120.0° | 123.0° |
OAG | SBI | CBC | CAO | 135.1° | 23.9° |
OAG | SBI | NAR | CAY | 162.5° | 52.8° |
OAG | SBI | NAR | H10 | 75.7° | 127.3° |
CAM | CAN | CBC | H9 | 180.0° | 179.8° |
CAN | CAM | CAZ | H8 | 180.0° | 179.9° |
CAM | CAN | CBC | SBI | 179.8° | 179.9° |
CAM | CAN | CBC | CAO | 0.9° | 0.2° |
CAN | CAM | CAZ | OAT | 179.0° | 180.0° |
CAN | CAM | CAZ | CBA | 1.2° | 0.1° |
CBC | CAN | CAM | CAZ | 0.3° | 0.2° |
CAN | CBC | SBI | CAO | 179.0° | 179.7° |
CAN | CBC | SBI | OAH | 160.5° | 23.5° |
CAN | CBC | SBI | NAR | 75.2° | 90.0° |
CAN | CBC | CAO | CBA | 1.2° | 0.0° |
CAN | CBC | CAO | H4 | 178.8° | 180.0° |
CBC | CAN | CAM | H8 | 179.7° | 179.7° |
CAM | CAZ | OAT | CAB | 106.4° | 0.1° |
CAM | CAZ | OAT | CBA | 177.9° | 179.9° |
CAM | CAZ | CBA | CAO | 0.9° | 0.3° |
CAM | CAZ | CBA | OAU | 179.4° | 180.0° |
CAZ | CAM | CAN | H9 | 179.7° | 180.0° |
CAB | OAT | CAZ | CBA | 71.5° | 180.0° |
OAT | CAB | H5 | H6 | 120.0° | 120.0° |
OAT | CAB | H5 | H7 | 120.0° | 120.0° |
OAT | CAB | H6 | H7 | 120.0° | 120.0° |
CBC | SBI | OAH | NAR | 123.6° | 114.1° |
SBI | CBC | CAO | CBA | 179.9° | 179.7° |
CBC | SBI | NAR | CAY | 79.4° | 60.7° |
SBI | CBC | CAO | H4 | 0.1° | 0.3° |
SBI | CBC | CAN | H9 | 0.2° | 0.2° |
CBC | SBI | NAR | H10 | 42.4° | 119.2° |
OAH | SBI | CBC | CAO | 18.4° | 156.8° |
OAH | SBI | NAR | CAY | 43.3° | 174.3° |
OAH | SBI | NAR | H10 | 165.1° | 5.7° |
NAR | SBI | CBC | CAO | 105.8° | 89.6° |
SBI | NAR | CAY | H10 | 121.8° | 179.9° |
SBI | NAR | CAY | CAP | 51.9° | 35.6° |
SBI | NAR | CAY | CBB | 127.7° | 144.7° |
CBC | CAO | CBA | CAZ | 0.3° | 0.3° |
CBC | CAO | CBA | H4 | 180.0° | 180.0° |
CBC | CAO | CBA | OAU | 179.4° | 180.0° |
CAO | CBC | CAN | H9 | 179.1° | 179.9° |
OAT | CAZ | CBA | CAO | 178.8° | 179.8° |
OAT | CAZ | CBA | OAU | 1.5° | 0.1° |
CAZ | OAT | CAB | H5 | 180.0° | 60.0° |
CAZ | OAT | CAB | H6 | 60.0° | 180.0° |
CAZ | OAT | CAB | H7 | 60.0° | 60.0° |
OAT | CAZ | CAM | H8 | 1.0° | 0.1° |
CAZ | CBA | CAO | OAU | 179.7° | 179.7° |
CAZ | CBA | OAU | CAC | 149.5° | 179.7° |
CAZ | CBA | CAO | H4 | 179.7° | 179.7° |
CBA | CAZ | CAM | H8 | 178.8° | 180.0° |
CAO | CBA | OAU | CAC | 30.8° | 0.1° |
CBA | OAU | CAC | H1 | 180.0° | 60.0° |
CBA | OAU | CAC | H2 | 60.0° | 60.0° |
CBA | OAU | CAC | H3 | 60.0° | 180.0° |
OAU | CBA | CAO | H4 | 0.6° | 0.1° |
NAR | CAY | CAP | CBB | 179.6° | 179.7° |
NAR | CAY | CBB | OAV | 0.5° | 0.1° |
NAR | CAY | CAP | CBE | 179.6° | 180.0° |
NAR | CAY | CBB | CAQ | 179.8° | 179.8° |
NAR | CAY | CAP | H11 | 0.4° | 0.0° |
OAU | CAC | H1 | H2 | 120.0° | 120.0° |
OAU | CAC | H1 | H3 | 120.0° | 120.0° |
OAU | CAC | H2 | H3 | 120.0° | 120.0° |
CAL | CAJ | CAW | H24 | 180.0° | 179.6° |
CAJ | CAL | CAX | H25 | 180.0° | 179.4° |
CAL | CAJ | CAW | OAS | 179.2° | 179.7° |
CAL | CAJ | CAW | CAI | 1.6° | 0.2° |
CAJ | CAL | CAX | OAV | 178.3° | 179.8° |
CAJ | CAL | CAX | CAK | 0.3° | 0.6° |
CAW | CAJ | CAL | CAX | 1.1° | 0.5° |
CAJ | CAW | OAS | CAI | 179.2° | 179.9° |
CAJ | CAW | OAS | CAA | 147.2° | 0.1° |
CAJ | CAW | CAI | CAK | 1.3° | 0.0° |
CAJ | CAW | CAI | H20 | 178.7° | 180.0° |
CAW | CAJ | CAL | H25 | 178.9° | 179.9° |
CAL | CAX | OAV | CAK | 178.5° | 179.7° |
CAL | CAX | OAV | CBB | 164.4° | 112.8° |
CAL | CAX | CAK | CAI | 0.0° | 0.3° |
CAL | CAX | CAK | H19 | 180.0° | 179.7° |
CAX | CAL | CAJ | H24 | 178.9° | 179.9° |
CAP | CAY | CBB | OAV | 179.1° | 179.7° |
CAY | CAP | CBE | H11 | 180.0° | 180.0° |
CAP | CAY | CBB | CAQ | 0.2° | 0.5° |
CAY | CAP | CBE | CBF | 0.3° | 0.0° |
CAY | CAP | CBE | NBG | 177.9° | 180.0° |
CAP | CAY | NAR | H10 | 173.7° | 144.5° |
CAY | CBB | OAV | CAX | 100.4° | 174.1° |
CAY | CBB | OAV | CAQ | 179.3° | 179.8° |
CBB | CAY | CAP | CBE | 0.0° | 0.2° |
CAY | CBB | CAQ | CBF | 0.8° | 0.5° |
CBB | CAY | NAR | H10 | 5.9° | 35.3° |
CBB | CAY | CAP | H11 | 180.0° | 179.7° |
CAY | CBB | CAQ | H18 | 179.2° | 179.7° |
OAS | CAW | CAI | CAK | 179.5° | 180.0° |
OAS | CAW | CAI | H20 | 0.5° | 0.1° |
CAW | OAS | CAA | H21 | 180.0° | 60.0° |
CAW | OAS | CAA | H22 | 60.0° | 60.0° |
CAW | OAS | CAA | H23 | 60.0° | 180.0° |
OAS | CAW | CAJ | H24 | 0.8° | 0.1° |
CAA | OAS | CAW | CAI | 33.6° | 180.0° |
OAS | CAA | H21 | H22 | 120.0° | 120.0° |
OAS | CAA | H21 | H23 | 120.0° | 120.0° |
OAS | CAA | H22 | H23 | 120.0° | 120.0° |
CAW | CAI | CAK | CAX | 0.6° | 0.0° |
CAW | CAI | CAK | H20 | 180.0° | 179.9° |
CAW | CAI | CAK | H19 | 179.5° | 180.0° |
CAI | CAW | CAJ | H24 | 178.4° | 179.8° |
OAV | CAX | CAK | CAI | 178.4° | 180.0° |
CAX | OAV | CBB | CAQ | 78.9° | 6.1° |
OAV | CAX | CAK | H19 | 1.5° | 0.1° |
OAV | CAX | CAL | H25 | 1.7° | 0.4° |
CBB | OAV | CAX | CAK | 17.1° | 67.6° |
OAV | CBB | CAQ | CBF | 178.5° | 179.7° |
OAV | CBB | CAQ | H18 | 1.5° | 0.1° |
CAX | CAK | CAI | H19 | 180.0° | 180.0° |
CAX | CAK | CAI | H20 | 179.4° | 180.0° |
CAK | CAX | CAL | H25 | 179.7° | 180.0° |
CAP | CBE | CBF | NBG | 178.6° | 179.9° |
CAP | CBE | CBF | CAQ | 0.9° | 0.0° |
CAP | CBE | NBG | CAD | 3.7° | 0.1° |
CAP | CBE | CBF | NBH | 180.0° | 179.9° |
CAP | CBE | NBG | CBD | 179.9° | 180.0° |
CBB | CAQ | CBF | CBE | 1.1° | 0.2° |
CBB | CAQ | CBF | H18 | 180.0° | 179.8° |
CBB | CAQ | CBF | NBH | 180.0° | 179.8° |
CBE | CBF | CAQ | NBH | 178.8° | 179.9° |
CBF | CBE | NBG | CAD | 177.9° | 180.0° |
CBF | CBE | NBG | CBD | 1.5° | 0.0° |
CBE | CBF | NBH | CBD | 0.7° | 0.1° |
CBE | CBF | NBH | CAE | 179.4° | 179.9° |
CBF | CBE | CAP | H11 | 179.7° | 180.0° |
CBE | CBF | CAQ | H18 | 178.9° | 180.0° |
NBG | CBE | CBF | CAQ | 177.7° | 180.0° |
CBE | NBG | CAD | CBD | 175.8° | 179.9° |
NBG | CBE | CBF | NBH | 1.4° | 0.0° |
CBE | NBG | CBD | NBH | 1.1° | 0.1° |
CBE | NBG | CBD | OAF | 180.0° | 179.9° |
NBG | CBE | CAP | H11 | 2.1° | 0.1° |
CBE | NBG | CAD | H12 | 180.0° | 90.0° |
CBE | NBG | CAD | H13 | 60.0° | 150.0° |
CBE | NBG | CAD | H14 | 60.0° | 30.0° |
CAQ | CBF | NBH | CBD | 178.2° | 180.0° |
CAQ | CBF | NBH | CAE | 0.4° | 0.1° |
CAD | NBG | CBD | NBH | 177.5° | 180.0° |
CAD | NBG | CBD | OAF | 3.6° | 0.1° |
NBG | CAD | H12 | H13 | 120.0° | 120.0° |
NBG | CAD | H12 | H14 | 120.0° | 120.1° |
NBG | CAD | H13 | H14 | 120.0° | 120.0° |
CBF | NBH | CBD | NBG | 0.2° | 0.1° |
CBF | NBH | CBD | CAE | 178.8° | 179.8° |
CBF | NBH | CBD | OAF | 179.1° | 179.9° |
CBF | NBH | CAE | H15 | 180.0° | 180.0° |
CBF | NBH | CAE | H16 | 60.0° | 59.9° |
CBF | NBH | CAE | H17 | 60.0° | 60.1° |
NBH | CBF | CAQ | H18 | 0.0° | 0.1° |
NBG | CBD | NBH | OAF | 178.9° | 179.8° |
NBG | CBD | NBH | CAE | 178.5° | 179.9° |
CBD | NBG | CAD | H12 | 4.2° | 89.9° |
CBD | NBG | CAD | H13 | 124.2° | 30.0° |
CBD | NBG | CAD | H14 | 115.8° | 150.0° |
CBD | NBH | CAE | H15 | 1.5° | 0.2° |
CBD | NBH | CAE | H16 | 121.6° | 119.9° |
CBD | NBH | CAE | H17 | 118.4° | 120.1° |
CAE | NBH | CBD | OAF | 0.4° | 0.2° |
NBH | CAE | H15 | H16 | 120.0° | 120.0° |
NBH | CAE | H15 | H17 | 120.0° | 119.9° |
NBH | CAE | H16 | H17 | 120.0° | 120.0° |
H1 | CAC | H2 | H3 | 120.0° | 120.0° |
H5 | CAB | H6 | H7 | 120.0° | 120.0° |
H8 | CAM | CAN | H9 | 0.3° | 0.1° |
H12 | CAD | H13 | H14 | 120.0° | 120.0° |
H15 | CAE | H16 | H17 | 120.0° | 120.0° |
H19 | CAK | CAI | H20 | 0.5° | 0.0° |
H21 | CAA | H22 | H23 | 120.0° | 120.0° |
H24 | CAJ | CAL | H25 | 1.1° | 0.5° |