6WX
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FAF | CAX | sing | 1.35Å | 1.35Å | |
CAA | CAN | sing | 1.53Å | 1.53Å | |
CAX | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
CAX | CAY | doub | 1.40Å | 1.39Å | Aromatic |
CAJ | CAI | doub | 1.38Å | 1.40Å | Aromatic |
CAQ | N | sing | 1.47Å | 1.50Å | |
CAQ | CAP | sing | 1.53Å | 1.47Å | |
CAN | CAO | sing | 1.53Å | 1.50Å | |
N | CAV | sing | 1.35Å | 1.36Å | |
N | CA | sing | 1.47Å | 1.47Å | |
CAY | CAV | sing | 1.48Å | 1.40Å | |
CAY | CAM | sing | 1.40Å | 1.41Å | Aromatic |
CAI | CAW | sing | 1.39Å | 1.40Å | Aromatic |
CAV | OAC | doub | 1.22Å | 1.24Å | |
CA | C | sing | 1.50Å | 1.42Å | |
C | O | doub | 1.21Å | 1.23Å | |
C | NBD | sing | 1.33Å | 1.36Å | |
NBD | CAP | sing | 1.46Å | 1.47Å | |
NBD | CAO | sing | 1.46Å | 1.49Å | |
CAM | CAW | doub | 1.38Å | 1.41Å | Aromatic |
CAW | CAS | sing | 1.51Å | 1.45Å | |
CAH | CAL | sing | 1.38Å | 1.40Å | Aromatic |
CAH | CAG | doub | 1.39Å | 1.40Å | Aromatic |
CAL | CBC | doub | 1.39Å | 1.42Å | Aromatic |
CAS | NBF | sing | 1.47Å | 1.47Å | |
CAG | CAK | sing | 1.38Å | 1.39Å | Aromatic |
CBC | NBF | sing | 1.39Å | 1.37Å | |
CBC | CBB | sing | 1.41Å | 1.42Å | Aromatic |
NBF | CBA | sing | 1.34Å | 1.36Å | |
CAK | CBB | doub | 1.39Å | 1.40Å | Aromatic |
CBB | CAZ | sing | 1.47Å | 1.39Å | |
CBA | OAE | doub | 1.22Å | 1.24Å | |
CBA | NAT | sing | 1.34Å | 1.39Å | |
CAZ | NAT | sing | 1.35Å | 1.38Å | |
CAZ | OAD | doub | 1.22Å | 1.25Å | |
NAT | H1 | sing | 0.97Å | 1.00Å | |
CAK | H2 | sing | 1.08Å | 1.08Å | |
CAG | H3 | sing | 1.08Å | 1.08Å | |
CAH | H4 | sing | 1.08Å | 1.08Å | |
CAL | H5 | sing | 1.08Å | 1.08Å | |
CAS | H6 | sing | 1.09Å | 1.10Å | |
CAS | H7 | sing | 1.09Å | 1.10Å | |
CAM | H8 | sing | 1.08Å | 1.08Å | |
CAI | H9 | sing | 1.08Å | 1.08Å | |
CAJ | H10 | sing | 1.08Å | 1.08Å | |
CAQ | H11 | sing | 1.09Å | 1.10Å | |
CAQ | H12 | sing | 1.09Å | 1.10Å | |
CAP | H13 | sing | 1.09Å | 1.10Å | |
CAP | H14 | sing | 1.09Å | 1.10Å | |
CA | H15 | sing | 1.09Å | 1.10Å | |
CA | H16 | sing | 1.09Å | 1.10Å | |
CAO | H17 | sing | 1.09Å | 1.10Å | |
CAO | H18 | sing | 1.09Å | 1.10Å | |
CAN | H19 | sing | 1.09Å | 1.10Å | |
CAN | H20 | sing | 1.09Å | 1.10Å | |
CAA | H21 | sing | 1.09Å | 1.10Å | |
CAA | H22 | sing | 1.09Å | 1.10Å | |
CAA | H23 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FAF | CAX | CAJ | 120.2° | 120.1° |
FAF | CAX | CAY | 120.9° | 120.1° |
CAA | CAN | CAO | 108.3° | 109.5° |
CAA | CAN | H19 | 109.8° | 109.5° |
CAA | CAN | H20 | 109.7° | 109.5° |
CAN | CAA | H21 | 109.5° | 109.5° |
CAN | CAA | H22 | 109.5° | 109.5° |
CAN | CAA | H23 | 109.5° | 109.4° |
CAJ | CAX | CAY | 118.9° | 119.7° |
CAX | CAJ | CAI | 122.5° | 120.2° |
CAX | CAJ | H10 | 118.7° | 120.0° |
CAX | CAY | CAV | 122.9° | 120.2° |
CAX | CAY | CAM | 118.7° | 119.7° |
CAJ | CAI | CAW | 120.0° | 120.3° |
CAJ | CAI | H9 | 120.0° | 119.9° |
CAI | CAJ | H10 | 118.8° | 119.9° |
N | CAQ | CAP | 107.9° | 108.2° |
CAQ | N | CAV | 125.7° | 121.4° |
CAQ | N | CA | 116.0° | 117.3° |
N | CAQ | H11 | 109.8° | 109.7° |
N | CAQ | H12 | 109.9° | 109.7° |
CAQ | CAP | NBD | 106.4° | 110.8° |
CAP | CAQ | H11 | 109.9° | 109.7° |
CAP | CAQ | H12 | 109.9° | 109.7° |
CAQ | CAP | H13 | 110.2° | 109.2° |
CAQ | CAP | H14 | 110.2° | 109.2° |
CAN | CAO | NBD | 110.7° | 109.5° |
CAN | CAO | H17 | 109.2° | 109.4° |
CAN | CAO | H18 | 109.2° | 109.4° |
CAO | CAN | H19 | 109.8° | 109.5° |
CAO | CAN | H20 | 109.8° | 109.5° |
CAV | N | CA | 118.2° | 121.4° |
N | CAV | CAY | 122.2° | 120.0° |
N | CAV | OAC | 120.6° | 120.0° |
N | CA | C | 112.2° | 108.9° |
N | CA | H15 | 108.8° | 109.5° |
N | CA | H16 | 108.8° | 109.6° |
CAV | CAY | CAM | 118.5° | 120.2° |
CAY | CAV | OAC | 117.1° | 120.0° |
CAY | CAM | CAW | 123.0° | 119.9° |
CAY | CAM | H8 | 118.5° | 120.1° |
CAI | CAW | CAM | 116.9° | 120.2° |
CAI | CAW | CAS | 118.9° | 119.9° |
CAW | CAI | H9 | 120.0° | 119.8° |
CA | C | O | 116.9° | 118.5° |
CA | C | NBD | 124.8° | 123.2° |
C | CA | H15 | 108.8° | 109.6° |
C | CA | H16 | 108.8° | 109.6° |
O | C | NBD | 118.3° | 118.3° |
C | NBD | CAP | 119.5° | 124.6° |
C | NBD | CAO | 123.6° | 117.7° |
CAP | NBD | CAO | 115.9° | 117.7° |
NBD | CAP | H13 | 110.2° | 109.3° |
NBD | CAP | H14 | 110.2° | 109.2° |
NBD | CAO | H17 | 109.1° | 109.5° |
NBD | CAO | H18 | 109.2° | 109.5° |
CAM | CAW | CAS | 124.1° | 119.9° |
CAW | CAM | H8 | 118.5° | 120.0° |
CAW | CAS | NBF | 112.8° | 109.5° |
CAW | CAS | H6 | 108.6° | 109.5° |
CAW | CAS | H7 | 108.6° | 109.5° |
CAL | CAH | CAG | 122.0° | 120.6° |
CAH | CAL | CBC | 119.6° | 119.8° |
CAL | CAH | H4 | 119.0° | 119.7° |
CAH | CAL | H5 | 120.2° | 120.1° |
CAH | CAG | CAK | 118.8° | 120.4° |
CAH | CAG | H3 | 120.6° | 119.8° |
CAG | CAH | H4 | 119.0° | 119.7° |
CAL | CBC | NBF | 121.2° | 121.6° |
CAL | CBC | CBB | 118.2° | 119.7° |
CBC | CAL | H5 | 120.2° | 120.1° |
CAS | NBF | CBC | 123.5° | 119.7° |
CAS | NBF | CBA | 116.5° | 119.7° |
NBF | CAS | H6 | 108.6° | 109.5° |
NBF | CAS | H7 | 108.6° | 109.4° |
CAG | CAK | CBB | 120.4° | 119.5° |
CAG | CAK | H2 | 119.8° | 120.2° |
CAK | CAG | H3 | 120.6° | 119.8° |
NBF | CBC | CBB | 120.6° | 118.7° |
CBC | NBF | CBA | 120.0° | 120.7° |
CBC | CBB | CAK | 121.0° | 120.0° |
CBC | CBB | CAZ | 119.4° | 118.2° |
NBF | CBA | OAE | 122.6° | 118.5° |
NBF | CBA | NAT | 120.2° | 122.8° |
CAK | CBB | CAZ | 119.6° | 121.7° |
CBB | CAK | H2 | 119.8° | 120.3° |
CBB | CAZ | NAT | 118.1° | 118.3° |
CBB | CAZ | OAD | 124.1° | 120.9° |
OAE | CBA | NAT | 117.2° | 118.6° |
CBA | NAT | CAZ | 121.8° | 121.2° |
CBA | NAT | H1 | 119.1° | 119.3° |
NAT | CAZ | OAD | 117.8° | 120.8° |
CAZ | NAT | H1 | 119.1° | 119.4° |
H6 | CAS | H7 | 109.5° | 109.5° |
H11 | CAQ | H12 | 109.5° | 109.7° |
H13 | CAP | H14 | 109.5° | 109.2° |
H15 | CA | H16 | 109.5° | 109.6° |
H17 | CAO | H18 | 109.5° | 109.4° |
H19 | CAN | H20 | 109.5° | 109.4° |
H21 | CAA | H22 | 109.5° | 109.5° |
H21 | CAA | H23 | 109.4° | 109.4° |
H22 | CAA | H23 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FAF | CAX | CAJ | CAY | 178.9° | 179.8° |
FAF | CAX | CAJ | CAI | 178.7° | 180.0° |
FAF | CAX | CAY | CAV | 0.9° | 0.2° |
FAF | CAX | CAY | CAM | 179.3° | 179.9° |
FAF | CAX | CAJ | H10 | 1.3° | 0.1° |
CAA | CAN | CAO | H19 | 119.8° | 120.1° |
CAA | CAN | CAO | H20 | 119.8° | 120.0° |
CAA | CAN | CAO | NBD | 55.1° | 180.0° |
CAA | CAN | CAO | H17 | 65.1° | 59.9° |
CAA | CAN | CAO | H18 | 175.3° | 60.0° |
CAA | CAN | H19 | H20 | 120.5° | 120.0° |
CAN | CAA | H21 | H22 | 120.0° | 120.0° |
CAN | CAA | H21 | H23 | 120.0° | 119.9° |
CAN | CAA | H22 | H23 | 120.0° | 120.0° |
CAX | CAJ | CAI | H10 | 180.0° | 180.0° |
CAJ | CAX | CAY | CAV | 179.8° | 180.0° |
CAJ | CAX | CAY | CAM | 0.5° | 0.2° |
CAX | CAJ | CAI | CAW | 0.3° | 0.0° |
CAX | CAJ | CAI | H9 | 179.7° | 179.9° |
CAY | CAX | CAJ | CAI | 0.2° | 0.2° |
CAX | CAY | CAV | N | 63.6° | 129.2° |
CAX | CAY | CAV | CAM | 179.8° | 179.8° |
CAX | CAY | CAV | OAC | 120.6° | 50.7° |
CAX | CAY | CAM | CAW | 1.0° | 0.0° |
CAX | CAY | CAM | H8 | 179.0° | 180.0° |
CAY | CAX | CAJ | H10 | 179.8° | 179.7° |
CAJ | CAI | CAW | H9 | 180.0° | 180.0° |
CAJ | CAI | CAW | CAM | 0.2° | 0.3° |
CAJ | CAI | CAW | CAS | 177.4° | 180.0° |
N | CAQ | CAP | H11 | 119.7° | 119.7° |
N | CAQ | CAP | H12 | 119.8° | 119.7° |
CAQ | N | CAV | CA | 178.7° | 179.7° |
CAQ | N | CAV | CAY | 5.4° | 175.5° |
CAQ | N | CAV | OAC | 178.9° | 4.4° |
CAQ | N | CA | C | 23.3° | 42.5° |
N | CAQ | CAP | NBD | 62.7° | 46.7° |
N | CAQ | H11 | H12 | 120.7° | 120.6° |
N | CAQ | CAP | H13 | 56.8° | 167.1° |
N | CAQ | CAP | H14 | 177.8° | 73.6° |
CAQ | N | CA | H15 | 97.1° | 162.3° |
CAQ | N | CA | H16 | 143.7° | 77.4° |
CAP | CAQ | N | CAV | 123.7° | 118.5° |
CAP | CAQ | N | CA | 57.6° | 61.2° |
CAQ | CAP | NBD | C | 40.9° | 22.1° |
CAQ | CAP | NBD | H13 | 119.5° | 120.3° |
CAQ | CAP | NBD | H14 | 119.5° | 120.3° |
CAQ | CAP | NBD | CAO | 150.4° | 158.0° |
CAP | CAQ | H11 | H12 | 120.8° | 120.6° |
CAQ | CAP | H13 | H14 | 121.4° | 119.3° |
CAN | CAO | NBD | C | 69.0° | 90.0° |
CAN | CAO | NBD | CAP | 122.8° | 90.1° |
CAN | CAO | NBD | H17 | 120.2° | 120.0° |
CAN | CAO | NBD | H18 | 120.2° | 120.0° |
CAN | CAO | H17 | H18 | 119.5° | 119.9° |
CAO | CAN | H19 | H20 | 120.6° | 120.0° |
CAO | CAN | CAA | H21 | 180.0° | 180.0° |
CAO | CAN | CAA | H22 | 60.0° | 60.0° |
CAO | CAN | CAA | H23 | 60.0° | 60.1° |
N | CAV | CAY | OAC | 175.9° | 179.9° |
N | CAV | CAY | CAM | 116.2° | 50.6° |
CAV | N | CA | C | 157.9° | 137.3° |
CAV | N | CAQ | H11 | 4.0° | 121.8° |
CAV | N | CAQ | H12 | 116.5° | 1.2° |
CAV | N | CA | H15 | 81.7° | 17.5° |
CAV | N | CA | H16 | 37.5° | 102.9° |
CA | N | CAV | CAY | 176.0° | 4.2° |
CA | N | CAV | OAC | 0.3° | 175.9° |
N | CA | C | H15 | 120.4° | 119.8° |
N | CA | C | H16 | 120.4° | 119.9° |
N | CA | C | O | 176.5° | 167.3° |
N | CA | C | NBD | 2.0° | 12.7° |
CA | N | CAQ | H11 | 177.3° | 58.5° |
CA | N | CAQ | H12 | 62.2° | 179.1° |
N | CA | H15 | H16 | 118.8° | 120.3° |
CAV | CAY | CAM | CAW | 179.2° | 179.8° |
CAV | CAY | CAM | H8 | 0.8° | 0.2° |
CAY | CAM | CAW | CAI | 0.8° | 0.3° |
CAM | CAY | CAV | OAC | 59.7° | 129.5° |
CAY | CAM | CAW | H8 | 180.0° | 180.0° |
CAY | CAM | CAW | CAS | 177.9° | 180.0° |
CAI | CAW | CAM | CAS | 177.1° | 179.7° |
CAI | CAW | CAS | NBF | 142.7° | 90.3° |
CAI | CAW | CAS | H6 | 22.2° | 149.7° |
CAI | CAW | CAS | H7 | 96.7° | 29.7° |
CAI | CAW | CAM | H8 | 179.2° | 179.7° |
CAW | CAI | CAJ | H10 | 179.7° | 180.0° |
CA | C | O | NBD | 178.6° | 179.9° |
CA | C | NBD | CAP | 7.9° | 4.5° |
CA | C | NBD | CAO | 175.7° | 175.6° |
C | CA | H15 | H16 | 118.7° | 120.3° |
O | C | NBD | CAP | 173.6° | 175.5° |
O | C | NBD | CAO | 5.8° | 4.4° |
O | C | CA | H15 | 56.1° | 47.5° |
O | C | CA | H16 | 63.0° | 72.8° |
C | NBD | CAP | CAO | 168.7° | 179.9° |
C | NBD | CAP | H13 | 78.6° | 142.4° |
C | NBD | CAP | H14 | 160.5° | 98.2° |
NBD | C | CA | H15 | 122.4° | 132.5° |
NBD | C | CA | H16 | 118.4° | 107.2° |
C | NBD | CAO | H17 | 170.8° | 150.0° |
C | NBD | CAO | H18 | 51.2° | 30.0° |
NBD | CAP | CAQ | H11 | 177.6° | 73.0° |
NBD | CAP | CAQ | H12 | 57.1° | 166.4° |
NBD | CAP | H13 | H14 | 121.4° | 119.4° |
CAP | NBD | CAO | H17 | 2.6° | 29.9° |
CAP | NBD | CAO | H18 | 117.0° | 149.9° |
CAO | NBD | CAP | H13 | 90.1° | 37.7° |
CAO | NBD | CAP | H14 | 30.8° | 81.7° |
NBD | CAO | H17 | H18 | 119.4° | 120.0° |
NBD | CAO | CAN | H19 | 174.9° | 60.0° |
NBD | CAO | CAN | H20 | 64.7° | 60.0° |
CAM | CAW | CAS | NBF | 40.2° | 90.0° |
CAM | CAW | CAS | H6 | 160.8° | 30.0° |
CAM | CAW | CAS | H7 | 80.3° | 150.0° |
CAM | CAW | CAI | H9 | 179.9° | 179.7° |
CAW | CAS | NBF | H6 | 120.5° | 120.0° |
CAW | CAS | NBF | H7 | 120.5° | 120.0° |
CAW | CAS | NBF | CBC | 85.2° | 90.0° |
CAW | CAS | NBF | CBA | 95.4° | 90.3° |
CAW | CAS | H6 | H7 | 118.5° | 120.0° |
CAS | CAW | CAM | H8 | 2.1° | 0.0° |
CAS | CAW | CAI | H9 | 2.6° | 0.0° |
CAL | CAH | CAG | H4 | 180.0° | 179.9° |
CAH | CAL | CBC | H5 | 180.0° | 180.0° |
CAL | CAH | CAG | CAK | 0.6° | 0.0° |
CAH | CAL | CBC | NBF | 179.8° | 179.8° |
CAH | CAL | CBC | CBB | 0.4° | 0.1° |
CAL | CAH | CAG | H3 | 179.5° | 180.0° |
CAG | CAH | CAL | CBC | 0.4° | 0.1° |
CAH | CAG | CAK | H3 | 180.0° | 180.0° |
CAH | CAG | CAK | CBB | 0.0° | 0.0° |
CAH | CAG | CAK | H2 | 180.0° | 179.9° |
CAG | CAH | CAL | H5 | 179.6° | 180.0° |
CAL | CBC | NBF | CAS | 0.5° | 0.1° |
CAL | CBC | NBF | CBB | 179.8° | 179.8° |
CAL | CBC | NBF | CBA | 179.8° | 179.7° |
CAL | CBC | CBB | CAK | 0.9° | 0.0° |
CAL | CBC | CBB | CAZ | 180.0° | 179.9° |
CBC | CAL | CAH | H4 | 179.7° | 180.0° |
CAS | NBF | CBC | CBA | 179.4° | 179.8° |
CAS | NBF | CBC | CBB | 179.3° | 179.8° |
CAS | NBF | CBA | OAE | 1.0° | 0.0° |
CAS | NBF | CBA | NAT | 179.7° | 179.8° |
NBF | CAS | H6 | H7 | 118.5° | 119.9° |
CAG | CAK | CBB | CBC | 0.7° | 0.0° |
CAG | CAK | CBB | H2 | 180.0° | 179.9° |
CAG | CAK | CBB | CAZ | 179.8° | 180.0° |
CAK | CAG | CAH | H4 | 179.5° | 179.9° |
NBF | CBC | CBB | CAK | 179.3° | 179.8° |
NBF | CBC | CBB | CAZ | 0.2° | 0.2° |
CBC | NBF | CBA | OAE | 178.4° | 179.7° |
CBC | NBF | CBA | NAT | 0.9° | 0.5° |
NBF | CBC | CAL | H5 | 0.1° | 0.2° |
CBC | NBF | CAS | H6 | 35.3° | 150.0° |
CBC | NBF | CAS | H7 | 154.3° | 30.0° |
CBB | CBC | NBF | CBA | 0.0° | 0.4° |
CBC | CBB | CAK | CAZ | 179.1° | 180.0° |
CBC | CBB | CAZ | NAT | 0.5° | 0.0° |
CBC | CBB | CAZ | OAD | 179.8° | 180.0° |
CBC | CBB | CAK | H2 | 179.3° | 179.9° |
CBB | CBC | CAL | H5 | 179.7° | 179.9° |
NBF | CBA | OAE | NAT | 179.3° | 179.8° |
NBF | CBA | NAT | CAZ | 1.7° | 0.3° |
NBF | CBA | NAT | H1 | 178.3° | 179.7° |
CBA | NBF | CAS | H6 | 144.1° | 29.8° |
CBA | NBF | CAS | H7 | 25.1° | 149.7° |
CAK | CBB | CAZ | NAT | 178.6° | 180.0° |
CAK | CBB | CAZ | OAD | 0.7° | 0.1° |
CBB | CAK | CAG | H3 | 180.0° | 180.0° |
CBB | CAZ | NAT | CBA | 1.4° | 0.0° |
CBB | CAZ | NAT | OAD | 179.3° | 179.9° |
CBB | CAZ | NAT | H1 | 178.5° | 180.0° |
CAZ | CBB | CAK | H2 | 0.2° | 0.0° |
OAE | CBA | NAT | CAZ | 177.7° | 180.0° |
OAE | CBA | NAT | H1 | 2.3° | 0.0° |
CBA | NAT | CAZ | H1 | 180.0° | 180.0° |
CBA | NAT | CAZ | OAD | 179.3° | 180.0° |
OAD | CAZ | NAT | H1 | 0.8° | 0.0° |
H2 | CAK | CAG | H3 | 0.0° | 0.1° |
H3 | CAG | CAH | H4 | 0.5° | 0.1° |
H4 | CAH | CAL | H5 | 0.4° | 0.0° |
H9 | CAI | CAJ | H10 | 0.4° | 0.0° |
H11 | CAQ | CAP | H13 | 62.9° | 47.4° |
H11 | CAQ | CAP | H14 | 58.0° | 166.7° |
H12 | CAQ | CAP | H13 | 176.6° | 73.2° |
H12 | CAQ | CAP | H14 | 62.4° | 46.1° |
H17 | CAO | CAN | H19 | 54.8° | 180.0° |
H17 | CAO | CAN | H20 | 175.2° | 60.0° |
H18 | CAO | CAN | H19 | 64.9° | 60.1° |
H18 | CAO | CAN | H20 | 55.5° | 180.0° |
H19 | CAN | CAA | H21 | 60.2° | 59.9° |
H19 | CAN | CAA | H22 | 59.8° | 180.0° |
H19 | CAN | CAA | H23 | 179.8° | 60.0° |
H20 | CAN | CAA | H21 | 60.2° | 60.0° |
H20 | CAN | CAA | H22 | 179.8° | 60.0° |
H20 | CAN | CAA | H23 | 59.8° | 180.0° |
H21 | CAA | H22 | H23 | 120.0° | 120.0° |