6K5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FAB | CAG | sing | 1.40Å | 1.35Å | |
FAF | CAG | sing | 1.40Å | 1.34Å | |
FAK | CAG | sing | 1.40Å | 1.36Å | |
CAG | CAH | sing | 1.51Å | 1.52Å | |
CAV | CBA | sing | 1.54Å | 1.59Å | |
CAV | NAU | sing | 1.47Å | 1.50Å | |
CBB | CBA | sing | 1.53Å | 1.56Å | |
CBB | OBC | sing | 1.43Å | 1.40Å | |
CAC | CAH | doub | 1.38Å | 1.42Å | Aromatic |
CAC | CAD | sing | 1.39Å | 1.42Å | Aromatic |
CBD | CBA | sing | 1.53Å | 1.54Å | |
CBD | CL | sing | 1.80Å | 1.88Å | |
CAH | CAI | sing | 1.40Å | 1.42Å | Aromatic |
CBA | CAZ | sing | 1.54Å | 1.58Å | |
NAA | CAD | sing | 1.39Å | 1.39Å | |
CAD | NAE | doub | 1.33Å | 1.38Å | Aromatic |
NAU | CAO | sing | 1.38Å | 1.46Å | |
NAU | CAZ | sing | 1.47Å | 1.52Å | |
NAL | CAO | doub | 1.33Å | 1.41Å | Aromatic |
NAL | CAM | sing | 1.33Å | 1.39Å | Aromatic |
CAI | CAM | sing | 1.48Å | 1.58Å | |
CAI | CAJ | doub | 1.39Å | 1.41Å | Aromatic |
CAO | NAP | sing | 1.33Å | 1.38Å | Aromatic |
CAM | NAN | doub | 1.33Å | 1.39Å | Aromatic |
NAE | CAJ | sing | 1.32Å | 1.36Å | Aromatic |
NAP | CAQ | doub | 1.33Å | 1.39Å | Aromatic |
NAN | CAQ | sing | 1.33Å | 1.38Å | Aromatic |
CAQ | NAR | sing | 1.38Å | 1.49Å | |
CAW | NAR | sing | 1.47Å | 1.50Å | |
CAW | CAX | sing | 1.53Å | 1.55Å | |
NAR | CAS | sing | 1.47Å | 1.50Å | |
CAS | CAT | sing | 1.53Å | 1.56Å | |
CAX | OAY | sing | 1.43Å | 1.40Å | |
OAY | CAT | sing | 1.43Å | 1.40Å | |
CAC | HAC1 | sing | 1.08Å | 1.08Å | |
NAA | HAA1 | sing | 0.97Å | 1.00Å | |
NAA | HAA2 | sing | 0.97Å | 1.00Å | |
CAJ | HAJ1 | sing | 1.08Å | 1.08Å | |
CAZ | HAZ2 | sing | 1.09Å | 1.10Å | |
CAZ | HAZ1 | sing | 1.09Å | 1.10Å | |
CAV | HAV1 | sing | 1.09Å | 1.10Å | |
CAV | HAV2 | sing | 1.09Å | 1.10Å | |
CBD | HBD1 | sing | 1.09Å | 1.10Å | |
CBD | HBD2 | sing | 1.09Å | 1.10Å | |
CBB | HBB1 | sing | 1.09Å | 1.10Å | |
CBB | HBB2 | sing | 1.09Å | 1.10Å | |
OBC | HBC1 | sing | 0.97Å | 0.95Å | |
CAS | HAS2 | sing | 1.09Å | 1.10Å | |
CAS | HAS1 | sing | 1.09Å | 1.10Å | |
CAT | HAT2 | sing | 1.09Å | 1.10Å | |
CAT | HAT1 | sing | 1.09Å | 1.10Å | |
CAX | HAX1 | sing | 1.09Å | 1.10Å | |
CAX | HAX2 | sing | 1.09Å | 1.10Å | |
CAW | HAW1 | sing | 1.09Å | 1.10Å | |
CAW | HAW2 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FAB | CAG | FAF | 105.1° | 109.4° |
FAB | CAG | FAK | 103.0° | 109.5° |
FAB | CAG | CAH | 115.1° | 109.5° |
FAF | CAG | FAK | 103.9° | 109.5° |
FAF | CAG | CAH | 112.8° | 109.5° |
FAK | CAG | CAH | 115.5° | 109.5° |
CAG | CAH | CAC | 115.7° | 120.8° |
CAG | CAH | CAI | 119.3° | 120.8° |
CBA | CAV | NAU | 93.0° | 87.9° |
CAV | CBA | CBB | 112.6° | 114.2° |
CAV | CBA | CBD | 112.4° | 114.2° |
CAV | CBA | CAZ | 84.4° | 83.6° |
CBA | CAV | HAV1 | 113.4° | 113.4° |
CBA | CAV | HAV2 | 113.4° | 113.5° |
CAV | NAU | CAO | 134.5° | 110.9° |
CAV | NAU | CAZ | 90.0° | 87.9° |
NAU | CAV | HAV1 | 113.4° | 113.4° |
NAU | CAV | HAV2 | 113.4° | 113.5° |
CBA | CBB | OBC | 109.4° | 109.5° |
CBB | CBA | CBD | 109.9° | 113.4° |
CBB | CBA | CAZ | 116.2° | 114.2° |
CBA | CBB | HBB1 | 109.5° | 109.5° |
CBA | CBB | HBB2 | 109.5° | 109.5° |
OBC | CBB | HBB1 | 109.5° | 109.5° |
OBC | CBB | HBB2 | 109.5° | 109.4° |
CBB | OBC | HBC1 | 109.5° | 114.0° |
CAH | CAC | CAD | 119.6° | 119.3° |
CAC | CAH | CAI | 125.0° | 118.3° |
CAH | CAC | HAC1 | 120.2° | 120.3° |
CAC | CAD | NAA | 122.9° | 119.6° |
CAC | CAD | NAE | 117.3° | 120.9° |
CAD | CAC | HAC1 | 120.2° | 120.4° |
CBA | CBD | CL | 115.7° | 109.4° |
CBD | CBA | CAZ | 118.9° | 114.2° |
CBA | CBD | HBD1 | 107.9° | 109.5° |
CBA | CBD | HBD2 | 107.9° | 109.5° |
CL | CBD | HBD1 | 107.9° | 109.5° |
CL | CBD | HBD2 | 107.9° | 109.5° |
CAH | CAI | CAM | 128.0° | 120.4° |
CAH | CAI | CAJ | 109.2° | 119.1° |
CBA | CAZ | NAU | 92.5° | 87.9° |
CBA | CAZ | HAZ2 | 113.6° | 113.5° |
CBA | CAZ | HAZ1 | 113.6° | 113.5° |
NAA | CAD | NAE | 119.8° | 119.5° |
CAD | NAA | HAA1 | 109.5° | 119.9° |
CAD | NAA | HAA2 | 109.5° | 120.0° |
CAD | NAE | CAJ | 119.4° | 121.8° |
CAO | NAU | CAZ | 134.2° | 111.0° |
NAU | CAO | NAL | 122.8° | 120.0° |
NAU | CAO | NAP | 116.2° | 120.0° |
NAU | CAZ | HAZ2 | 113.5° | 113.5° |
NAU | CAZ | HAZ1 | 113.5° | 113.4° |
CAO | NAL | CAM | 117.8° | 120.0° |
NAL | CAO | NAP | 121.0° | 120.0° |
NAL | CAM | CAI | 120.6° | 120.0° |
NAL | CAM | NAN | 122.7° | 120.0° |
CAM | CAI | CAJ | 122.8° | 120.4° |
CAI | CAM | NAN | 116.8° | 120.0° |
CAI | CAJ | NAE | 129.4° | 120.6° |
CAI | CAJ | HAJ1 | 115.3° | 119.7° |
CAO | NAP | CAQ | 118.3° | 120.0° |
CAM | NAN | CAQ | 117.4° | 120.0° |
NAE | CAJ | HAJ1 | 115.3° | 119.7° |
NAP | CAQ | NAN | 122.9° | 120.0° |
NAP | CAQ | NAR | 113.3° | 120.0° |
NAN | CAQ | NAR | 123.7° | 120.0° |
CAQ | NAR | CAW | 118.2° | 111.0° |
CAQ | NAR | CAS | 120.7° | 111.1° |
NAR | CAW | CAX | 111.9° | 109.2° |
CAW | NAR | CAS | 108.6° | 110.7° |
NAR | CAW | HAW1 | 108.9° | 109.5° |
NAR | CAW | HAW2 | 108.9° | 109.5° |
CAW | CAX | OAY | 111.4° | 109.2° |
CAW | CAX | HAX1 | 109.0° | 109.5° |
CAW | CAX | HAX2 | 109.0° | 109.5° |
CAX | CAW | HAW1 | 108.9° | 109.5° |
CAX | CAW | HAW2 | 108.9° | 109.5° |
NAR | CAS | CAT | 111.7° | 109.3° |
NAR | CAS | HAS2 | 108.9° | 109.5° |
NAR | CAS | HAS1 | 108.9° | 109.5° |
CAS | CAT | OAY | 113.2° | 109.3° |
CAT | CAS | HAS2 | 108.9° | 109.5° |
CAT | CAS | HAS1 | 108.9° | 109.5° |
CAS | CAT | HAT2 | 108.6° | 109.5° |
CAS | CAT | HAT1 | 108.5° | 109.5° |
CAX | OAY | CAT | 113.4° | 113.8° |
OAY | CAX | HAX1 | 109.0° | 109.5° |
OAY | CAX | HAX2 | 109.0° | 109.5° |
OAY | CAT | HAT2 | 108.5° | 109.5° |
OAY | CAT | HAT1 | 108.5° | 109.6° |
HAA1 | NAA | HAA2 | 109.5° | 120.1° |
HAZ2 | CAZ | HAZ1 | 109.4° | 112.8° |
HAV1 | CAV | HAV2 | 109.5° | 112.8° |
HBD1 | CBD | HBD2 | 109.5° | 109.5° |
HBB1 | CBB | HBB2 | 109.5° | 109.5° |
HAS2 | CAS | HAS1 | 109.5° | 109.5° |
HAT2 | CAT | HAT1 | 109.5° | 109.5° |
HAX1 | CAX | HAX2 | 109.5° | 109.6° |
HAW1 | CAW | HAW2 | 109.5° | 109.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FAB | CAG | FAF | FAK | 107.9° | 120.0° |
FAB | CAG | FAF | CAH | 126.2° | 120.0° |
FAB | CAG | FAK | CAH | 126.4° | 120.0° |
FAB | CAG | CAH | CAC | 19.6° | 0.2° |
FAB | CAG | CAH | CAI | 161.3° | 180.0° |
FAF | CAG | FAK | CAH | 124.1° | 120.0° |
FAF | CAG | CAH | CAC | 140.2° | 119.7° |
FAF | CAG | CAH | CAI | 40.7° | 60.0° |
FAK | CAG | CAH | CAC | 100.4° | 120.2° |
FAK | CAG | CAH | CAI | 78.7° | 60.0° |
CAG | CAH | CAC | CAI | 179.1° | 179.8° |
CAG | CAH | CAC | CAD | 179.7° | 180.0° |
CAG | CAH | CAI | CAM | 0.8° | 0.1° |
CAG | CAH | CAI | CAJ | 179.9° | 179.7° |
CAG | CAH | CAC | HAC1 | 0.3° | 0.1° |
CBA | CAV | NAU | HAV1 | 117.2° | 114.7° |
CBA | CAV | NAU | HAV2 | 117.1° | 114.8° |
CAV | CBA | CBB | CBD | 126.2° | 133.1° |
CAV | CBA | CBB | CAZ | 95.1° | 93.8° |
CAV | CBA | CBB | OBC | 158.4° | 180.0° |
CAV | CBA | CBD | CAZ | 96.2° | 93.8° |
CAV | CBA | CBD | CL | 102.5° | 180.0° |
CBA | CAV | NAU | CAO | 169.4° | 138.7° |
CBA | CAV | NAU | CAZ | 2.0° | 27.1° |
CAV | CBA | CAZ | HAZ2 | 118.9° | 88.7° |
CAV | CBA | CAZ | HAZ1 | 115.2° | 140.8° |
CBA | CAV | HAV1 | HAV2 | 127.7° | 130.8° |
CAV | CBA | CBD | HBD1 | 136.6° | 60.0° |
CAV | CBA | CBD | HBD2 | 18.4° | 60.0° |
CAV | CBA | CBB | HBB1 | 38.4° | 60.0° |
CAV | CBA | CBB | HBB2 | 81.7° | 60.0° |
NAU | CAV | CBA | CBB | 114.3° | 87.6° |
NAU | CAV | CBA | CBD | 120.9° | 139.7° |
CAV | NAU | CAO | CAZ | 162.4° | 96.0° |
CAV | NAU | CAO | NAL | 71.1° | 96.0° |
CAV | NAU | CAO | NAP | 108.9° | 84.1° |
CAV | NAU | CAZ | HAZ2 | 119.0° | 87.7° |
CAV | NAU | CAZ | HAZ1 | 115.1° | 141.9° |
NAU | CAV | HAV1 | HAV2 | 127.8° | 130.9° |
CBA | CBB | OBC | HBB1 | 120.0° | 120.0° |
CBA | CBB | OBC | HBB2 | 120.0° | 120.0° |
CBB | CBA | CBD | CAZ | 137.5° | 133.1° |
CBB | CBA | CBD | CL | 131.2° | 46.9° |
CBB | CBA | CAZ | NAU | 110.7° | 87.6° |
CBB | CBA | CAZ | HAZ2 | 6.4° | 157.6° |
CBB | CBA | CAZ | HAZ1 | 132.3° | 27.1° |
CBB | CBA | CAV | HAV1 | 128.6° | 27.1° |
CBB | CBA | CAV | HAV2 | 2.9° | 157.6° |
CBB | CBA | CBD | HBD1 | 10.3° | 73.1° |
CBB | CBA | CBD | HBD2 | 107.9° | 166.9° |
CBA | CBB | HBB1 | HBB2 | 120.1° | 120.0° |
CBA | CBB | OBC | HBC1 | 180.0° | 180.0° |
OBC | CBB | CBA | CBD | 75.4° | 46.9° |
OBC | CBB | CBA | CAZ | 63.3° | 86.2° |
OBC | CBB | HBB1 | HBB2 | 120.0° | 119.9° |
CAH | CAC | CAD | HAC1 | 180.0° | 180.0° |
CAH | CAC | CAD | NAA | 179.9° | 179.9° |
CAH | CAC | CAD | NAE | 0.2° | 0.0° |
CAC | CAH | CAI | CAM | 179.8° | 179.7° |
CAC | CAH | CAI | CAJ | 0.8° | 0.5° |
CAD | CAC | CAH | CAI | 0.7° | 0.2° |
CAC | CAD | NAA | NAE | 180.0° | 179.9° |
CAC | CAD | NAE | CAJ | 0.0° | 0.0° |
CAC | CAD | NAA | HAA1 | 179.9° | 0.1° |
CAC | CAD | NAA | HAA2 | 60.0° | 180.0° |
CBA | CBD | CL | HBD1 | 120.9° | 120.0° |
CBA | CBD | CL | HBD2 | 120.9° | 120.0° |
CBD | CBA | CAZ | NAU | 114.5° | 139.7° |
CBD | CBA | CAZ | HAZ2 | 128.5° | 24.9° |
CBD | CBA | CAZ | HAZ1 | 2.6° | 105.6° |
CBD | CBA | CAV | HAV1 | 3.8° | 105.6° |
CBD | CBA | CAV | HAV2 | 121.9° | 24.9° |
CBA | CBD | HBD1 | HBD2 | 117.2° | 120.0° |
CBD | CBA | CBB | HBB1 | 164.6° | 166.9° |
CBD | CBA | CBB | HBB2 | 44.5° | 73.1° |
CL | CBD | CBA | CAZ | 6.3° | 86.2° |
CL | CBD | HBD1 | HBD2 | 117.1° | 120.1° |
CAH | CAI | CAM | NAL | 39.7° | 179.7° |
CAH | CAI | CAM | CAJ | 179.3° | 179.7° |
CAH | CAI | CAM | NAN | 140.6° | 0.0° |
CAH | CAI | CAJ | NAE | 0.7° | 0.6° |
CAI | CAH | CAC | HAC1 | 179.3° | 179.7° |
CAH | CAI | CAJ | HAJ1 | 179.3° | 179.7° |
CBA | CAZ | NAU | CAO | 169.5° | 138.7° |
CBA | CAZ | NAU | HAZ2 | 117.1° | 114.8° |
CBA | CAZ | NAU | HAZ1 | 117.1° | 114.8° |
CBA | CAZ | HAZ2 | HAZ1 | 128.0° | 130.9° |
CAZ | CBA | CAV | HAV1 | 115.3° | 140.7° |
CAZ | CBA | CAV | HAV2 | 119.0° | 88.8° |
CAZ | CBA | CBD | HBD1 | 127.2° | 153.8° |
CAZ | CBA | CBD | HBD2 | 114.6° | 33.8° |
CAZ | CBA | CBB | HBB1 | 56.7° | 33.8° |
CAZ | CBA | CBB | HBB2 | 176.7° | 153.9° |
NAA | CAD | NAE | CAJ | 179.9° | 180.0° |
NAA | CAD | CAC | HAC1 | 0.1° | 0.0° |
CAD | NAA | HAA1 | HAA2 | 120.0° | 180.0° |
CAD | NAE | CAJ | CAI | 0.3° | 0.3° |
NAE | CAD | CAC | HAC1 | 179.8° | 180.0° |
NAE | CAD | NAA | HAA1 | 0.0° | 180.0° |
NAE | CAD | NAA | HAA2 | 120.0° | 0.1° |
CAD | NAE | CAJ | HAJ1 | 179.7° | 180.0° |
NAU | CAO | NAL | NAP | 180.0° | 179.9° |
NAU | CAO | NAL | CAM | 179.9° | 179.9° |
NAU | CAO | NAP | CAQ | 179.9° | 179.8° |
CAO | NAU | CAZ | HAZ2 | 73.4° | 23.9° |
CAO | NAU | CAZ | HAZ1 | 52.4° | 106.5° |
CAO | NAU | CAV | HAV1 | 52.3° | 106.6° |
CAO | NAU | CAV | HAV2 | 73.4° | 24.0° |
CAZ | NAU | CAO | NAL | 126.5° | 0.1° |
CAZ | NAU | CAO | NAP | 53.5° | 180.0° |
NAU | CAZ | HAZ2 | HAZ1 | 128.0° | 130.7° |
CAZ | NAU | CAV | HAV1 | 115.2° | 141.8° |
CAZ | NAU | CAV | HAV2 | 119.1° | 87.7° |
CAO | NAL | CAM | CAI | 179.8° | 180.0° |
CAO | NAL | CAM | NAN | 0.1° | 0.3° |
NAL | CAO | NAP | CAQ | 0.1° | 0.3° |
NAL | CAM | CAI | NAN | 179.7° | 179.7° |
NAL | CAM | CAI | CAJ | 141.0° | 0.0° |
CAM | NAL | CAO | NAP | 0.1° | 0.0° |
NAL | CAM | NAN | CAQ | 0.1° | 0.3° |
CAM | CAI | CAJ | NAE | 179.9° | 179.7° |
CAI | CAM | NAN | CAQ | 179.8° | 180.0° |
CAM | CAI | CAJ | HAJ1 | 0.1° | 0.0° |
CAJ | CAI | CAM | NAN | 38.7° | 179.7° |
CAI | CAJ | NAE | HAJ1 | 180.0° | 179.7° |
CAO | NAP | CAQ | NAN | 0.1° | 0.3° |
CAO | NAP | CAQ | NAR | 179.6° | 179.7° |
CAM | NAN | CAQ | NAP | 0.1° | 0.0° |
CAM | NAN | CAQ | NAR | 179.5° | 180.0° |
NAP | CAQ | NAN | NAR | 179.4° | 180.0° |
NAP | CAQ | NAR | CAW | 28.3° | 56.3° |
NAP | CAQ | NAR | CAS | 165.9° | 180.0° |
NAN | CAQ | NAR | CAW | 152.3° | 123.7° |
NAN | CAQ | NAR | CAS | 14.6° | 0.0° |
CAQ | NAR | CAW | CAS | 142.3° | 123.8° |
CAQ | NAR | CAW | CAX | 164.7° | 177.6° |
CAQ | NAR | CAS | CAT | 168.4° | 177.6° |
CAQ | NAR | CAS | HAS2 | 71.3° | 62.4° |
CAQ | NAR | CAS | HAS1 | 48.1° | 57.7° |
CAQ | NAR | CAW | HAW1 | 44.4° | 57.7° |
CAQ | NAR | CAW | HAW2 | 74.9° | 62.5° |
NAR | CAW | CAX | HAW1 | 120.4° | 119.9° |
NAR | CAW | CAX | HAW2 | 120.4° | 119.9° |
CAW | NAR | CAS | CAT | 50.4° | 58.6° |
NAR | CAW | CAX | OAY | 56.5° | 56.8° |
CAW | NAR | CAS | HAS2 | 69.9° | 61.3° |
CAW | NAR | CAS | HAS1 | 170.7° | 178.6° |
NAR | CAW | CAX | HAX1 | 63.8° | 176.7° |
NAR | CAW | CAX | HAX2 | 176.8° | 63.1° |
NAR | CAW | HAW1 | HAW2 | 118.9° | 120.1° |
CAX | CAW | NAR | CAS | 52.9° | 58.6° |
CAW | CAX | OAY | HAX1 | 120.3° | 119.9° |
CAW | CAX | OAY | HAX2 | 120.3° | 120.0° |
CAW | CAX | OAY | CAT | 57.0° | 58.7° |
CAW | CAX | HAX1 | HAX2 | 119.1° | 120.1° |
CAX | CAW | HAW1 | HAW2 | 118.9° | 120.2° |
NAR | CAS | CAT | HAS2 | 120.3° | 120.0° |
NAR | CAS | CAT | HAS1 | 120.3° | 119.9° |
NAR | CAS | CAT | OAY | 52.3° | 56.8° |
NAR | CAS | HAS2 | HAS1 | 119.0° | 120.1° |
NAR | CAS | CAT | HAT2 | 172.9° | 176.8° |
NAR | CAS | CAT | HAT1 | 68.2° | 63.1° |
CAS | NAR | CAW | HAW1 | 173.3° | 178.5° |
CAS | NAR | CAW | HAW2 | 67.4° | 61.3° |
CAS | CAT | OAY | CAX | 55.4° | 58.7° |
CAS | CAT | OAY | HAT2 | 120.5° | 119.9° |
CAS | CAT | OAY | HAT1 | 120.6° | 119.9° |
CAT | CAS | HAS2 | HAS1 | 119.0° | 120.1° |
CAS | CAT | HAT2 | HAT1 | 118.3° | 120.1° |
CAX | OAY | CAT | HAT2 | 176.0° | 178.6° |
CAX | OAY | CAT | HAT1 | 65.1° | 61.3° |
OAY | CAX | HAX1 | HAX2 | 119.1° | 120.1° |
OAY | CAX | CAW | HAW1 | 176.9° | 176.7° |
OAY | CAX | CAW | HAW2 | 63.8° | 63.1° |
OAY | CAT | CAS | HAS2 | 68.0° | 63.1° |
OAY | CAT | CAS | HAS1 | 172.7° | 176.8° |
OAY | CAT | HAT2 | HAT1 | 118.3° | 120.2° |
CAT | OAY | CAX | HAX1 | 63.3° | 178.5° |
CAT | OAY | CAX | HAX2 | 177.3° | 61.3° |
HBB1 | CBB | OBC | HBC1 | 60.0° | 60.0° |
HBB2 | CBB | OBC | HBC1 | 60.0° | 60.0° |
HAS2 | CAS | CAT | HAT2 | 52.5° | 56.8° |
HAS2 | CAS | CAT | HAT1 | 171.5° | 176.9° |
HAS1 | CAS | CAT | HAT2 | 66.8° | 63.3° |
HAS1 | CAS | CAT | HAT1 | 52.1° | 56.8° |
HAX1 | CAX | CAW | HAW1 | 56.6° | 63.4° |
HAX1 | CAX | CAW | HAW2 | 175.9° | 56.8° |
HAX2 | CAX | CAW | HAW1 | 62.8° | 56.8° |
HAX2 | CAX | CAW | HAW2 | 56.5° | 177.0° |