2QN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | CAZ | doub | 1.21Å | 1.26Å | |
| CAH | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | NAU | sing | 1.32Å | 1.33Å | Aromatic |
| CAJ | CBD | sing | 1.39Å | 1.40Å | Aromatic |
| NAU | CAI | doub | 1.32Å | 1.34Å | Aromatic |
| CAZ | OAB | sing | 1.34Å | 1.25Å | |
| CAZ | CBG | sing | 1.51Å | 1.56Å | |
| CBD | CAT | sing | 1.51Å | 1.53Å | |
| CBD | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | CBG | sing | 1.53Å | 1.54Å | |
| CAI | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CBG | NAX | sing | 1.46Å | 1.47Å | |
| CAP | CAR | sing | 1.53Å | 1.52Å | |
| CAP | CAQ | sing | 1.53Å | 1.58Å | |
| OAC | CBA | doub | 1.22Å | 1.26Å | |
| NAX | CBA | sing | 1.35Å | 1.34Å | |
| CAR | NAV | sing | 1.46Å | 1.46Å | |
| CBA | N | sing | 1.35Å | 1.32Å | |
| CB | CAQ | sing | 1.53Å | 1.55Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| OAD | CBB | doub | 1.22Å | 1.24Å | |
| NAV | CBB | sing | 1.35Å | 1.32Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CBB | CBE | sing | 1.48Å | 1.55Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| CBE | CAN | doub | 1.40Å | 1.41Å | Aromatic |
| CBE | CAO | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | CAL | sing | 1.38Å | 1.41Å | Aromatic |
| CAO | CAM | doub | 1.38Å | 1.42Å | Aromatic |
| CAL | CBC | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CBC | sing | 1.38Å | 1.40Å | Aromatic |
| CBC | IAG | sing | 2.09Å | 2.22Å | |
| CAN | H1 | sing | 1.08Å | 1.08Å | |
| CAL | H2 | sing | 1.08Å | 1.08Å | |
| CAM | H3 | sing | 1.08Å | 1.08Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| NAV | H5 | sing | 0.97Å | 1.00Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAP | H9 | sing | 1.09Å | 1.10Å | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| CAQ | H11 | sing | 1.09Å | 1.10Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| CA | H14 | sing | 1.09Å | 1.10Å | |
| OXT | H15 | sing | 0.97Å | 0.95Å | |
| N | H16 | sing | 0.97Å | 1.00Å | |
| NAX | H17 | sing | 0.97Å | 1.00Å | |
| CBG | H18 | sing | 1.09Å | 1.10Å | |
| OAB | H19 | sing | 0.97Å | 0.95Å | |
| CAT | H20 | sing | 1.09Å | 1.10Å | |
| CAT | H21 | sing | 1.09Å | 1.10Å | |
| CAJ | H22 | sing | 1.08Å | 1.08Å | |
| CAH | H23 | sing | 1.08Å | 1.08Å | |
| CAI | H24 | sing | 1.08Å | 1.08Å | |
| CAK | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | CAZ | OAB | 122.8° | 120.0° |
| OAF | CAZ | CBG | 117.8° | 120.0° |
| CAJ | CAH | NAU | 120.4° | 120.8° |
| CAH | CAJ | CBD | 121.1° | 119.2° |
| CAH | CAJ | H22 | 119.5° | 120.4° |
| CAJ | CAH | H23 | 119.8° | 119.6° |
| CAH | NAU | CAI | 120.0° | 121.7° |
| NAU | CAH | H23 | 119.8° | 119.6° |
| CAJ | CBD | CAT | 122.6° | 120.8° |
| CAJ | CBD | CAK | 117.5° | 118.4° |
| CBD | CAJ | H22 | 119.5° | 120.4° |
| NAU | CAI | CAK | 122.8° | 120.8° |
| NAU | CAI | H24 | 118.6° | 119.7° |
| OAB | CAZ | CBG | 119.4° | 120.0° |
| CAZ | OAB | H19 | 109.5° | 117.0° |
| CAZ | CBG | CAT | 106.0° | 109.5° |
| CAZ | CBG | NAX | 108.0° | 109.5° |
| CAZ | CBG | H18 | 108.7° | 109.5° |
| CAT | CBD | CAK | 119.8° | 120.8° |
| CBD | CAT | CBG | 116.7° | 109.5° |
| CBD | CAT | H20 | 107.6° | 109.5° |
| CBD | CAT | H21 | 107.7° | 109.5° |
| CBD | CAK | CAI | 118.2° | 119.1° |
| CBD | CAK | H25 | 120.9° | 120.4° |
| CAT | CBG | NAX | 115.2° | 109.5° |
| CAT | CBG | H18 | 108.9° | 109.4° |
| CBG | CAT | H20 | 107.6° | 109.4° |
| CBG | CAT | H21 | 107.6° | 109.5° |
| CAK | CAI | H24 | 118.6° | 119.6° |
| CAI | CAK | H25 | 120.9° | 120.4° |
| CBG | NAX | CBA | 115.9° | 120.0° |
| CBG | NAX | H17 | 122.0° | 120.0° |
| NAX | CBG | H18 | 109.8° | 109.5° |
| CAR | CAP | CAQ | 116.9° | 109.5° |
| CAP | CAR | NAV | 109.6° | 109.5° |
| CAP | CAR | H6 | 109.4° | 109.5° |
| CAP | CAR | H7 | 109.4° | 109.4° |
| CAR | CAP | H8 | 107.6° | 109.4° |
| CAR | CAP | H9 | 107.6° | 109.4° |
| CAP | CAQ | CB | 111.2° | 109.5° |
| CAQ | CAP | H8 | 107.6° | 109.5° |
| CAQ | CAP | H9 | 107.6° | 109.5° |
| CAP | CAQ | H10 | 109.0° | 109.5° |
| CAP | CAQ | H11 | 109.1° | 109.5° |
| OAC | CBA | NAX | 120.0° | 120.0° |
| OAC | CBA | N | 122.6° | 120.0° |
| NAX | CBA | N | 117.2° | 120.0° |
| CBA | NAX | H17 | 122.0° | 120.0° |
| CAR | NAV | CBB | 122.4° | 120.0° |
| CAR | NAV | H5 | 118.8° | 120.0° |
| NAV | CAR | H6 | 109.4° | 109.4° |
| NAV | CAR | H7 | 109.4° | 109.5° |
| CBA | N | CA | 122.7° | 120.0° |
| CBA | N | H16 | 118.7° | 120.0° |
| CAQ | CB | CA | 112.2° | 109.5° |
| CB | CAQ | H10 | 109.0° | 109.5° |
| CB | CAQ | H11 | 109.0° | 109.4° |
| CAQ | CB | H12 | 108.8° | 109.5° |
| CAQ | CB | H13 | 108.8° | 109.5° |
| CB | CA | N | 104.7° | 109.5° |
| CB | CA | C | 110.7° | 109.5° |
| CA | CB | H12 | 108.8° | 109.5° |
| CA | CB | H13 | 108.8° | 109.5° |
| CB | CA | H14 | 110.4° | 109.5° |
| N | CA | C | 108.3° | 109.5° |
| N | CA | H14 | 111.8° | 109.5° |
| CA | N | H16 | 118.7° | 120.0° |
| OAD | CBB | NAV | 122.6° | 120.0° |
| OAD | CBB | CBE | 118.7° | 120.0° |
| NAV | CBB | CBE | 118.1° | 120.0° |
| CBB | NAV | H5 | 118.8° | 120.0° |
| CA | C | O | 118.3° | 120.0° |
| CA | C | OXT | 113.6° | 120.0° |
| C | CA | H14 | 110.8° | 109.4° |
| CBB | CBE | CAN | 121.1° | 120.1° |
| CBB | CBE | CAO | 122.3° | 120.2° |
| O | C | OXT | 128.1° | 120.0° |
| C | OXT | H15 | 109.5° | 117.0° |
| CAN | CBE | CAO | 116.4° | 119.7° |
| CBE | CAN | CAL | 120.8° | 119.8° |
| CBE | CAN | H1 | 119.6° | 120.0° |
| CBE | CAO | CAM | 121.4° | 119.8° |
| CBE | CAO | H4 | 119.3° | 120.1° |
| CAN | CAL | CBC | 124.2° | 120.2° |
| CAL | CAN | H1 | 119.6° | 120.1° |
| CAN | CAL | H2 | 117.9° | 120.0° |
| CAO | CAM | CBC | 123.7° | 120.2° |
| CAO | CAM | H3 | 118.1° | 119.9° |
| CAM | CAO | H4 | 119.3° | 120.1° |
| CAL | CBC | CAM | 113.4° | 120.3° |
| CAL | CBC | IAG | 124.9° | 119.9° |
| CBC | CAL | H2 | 117.9° | 119.9° |
| CAM | CBC | IAG | 121.7° | 119.9° |
| CBC | CAM | H3 | 118.2° | 120.0° |
| H6 | CAR | H7 | 109.5° | 109.5° |
| H8 | CAP | H9 | 109.5° | 109.5° |
| H10 | CAQ | H11 | 109.5° | 109.5° |
| H12 | CB | H13 | 109.5° | 109.4° |
| H20 | CAT | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | CAZ | OAB | CBG | 176.5° | 180.0° |
| OAF | CAZ | CBG | CAT | 75.9° | 120.0° |
| OAF | CAZ | CBG | NAX | 160.1° | 0.0° |
| OAF | CAZ | CBG | H18 | 41.0° | 120.0° |
| OAF | CAZ | OAB | H19 | 0.0° | 0.0° |
| CAJ | CAH | NAU | H23 | 180.0° | 179.9° |
| CAH | CAJ | CBD | H22 | 180.0° | 179.9° |
| CAJ | CAH | NAU | CAI | 1.9° | 0.1° |
| CAH | CAJ | CBD | CAT | 177.5° | 180.0° |
| CAH | CAJ | CBD | CAK | 0.2° | 0.3° |
| NAU | CAH | CAJ | CBD | 1.9° | 0.1° |
| CAH | NAU | CAI | CAK | 0.3° | 0.2° |
| NAU | CAH | CAJ | H22 | 178.1° | 179.9° |
| CAH | NAU | CAI | H24 | 179.7° | 180.0° |
| CAJ | CBD | CAT | CAK | 177.3° | 179.7° |
| CAJ | CBD | CAT | CBG | 72.3° | 89.7° |
| CAJ | CBD | CAK | CAI | 1.3° | 0.6° |
| CAJ | CBD | CAT | H20 | 166.7° | 150.3° |
| CAJ | CBD | CAT | H21 | 48.7° | 30.3° |
| CBD | CAJ | CAH | H23 | 178.1° | 180.0° |
| CAJ | CBD | CAK | H25 | 178.7° | 179.7° |
| NAU | CAI | CAK | CBD | 1.4° | 0.5° |
| NAU | CAI | CAK | H24 | 180.0° | 179.8° |
| CAI | NAU | CAH | H23 | 178.1° | 180.0° |
| NAU | CAI | CAK | H25 | 178.7° | 179.8° |
| OAB | CAZ | CBG | CAT | 107.4° | 60.0° |
| OAB | CAZ | CBG | NAX | 16.6° | 180.0° |
| OAB | CAZ | CBG | H18 | 135.6° | 60.0° |
| CAZ | CBG | CAT | CBD | 63.6° | 175.0° |
| CAZ | CBG | CAT | NAX | 119.3° | 120.0° |
| CAZ | CBG | CAT | H18 | 116.8° | 120.0° |
| CAZ | CBG | NAX | H18 | 118.4° | 120.0° |
| CAZ | CBG | NAX | CBA | 59.7° | 85.0° |
| CAZ | CBG | NAX | H17 | 120.3° | 95.0° |
| CBG | CAZ | OAB | H19 | 176.5° | 180.0° |
| CAZ | CBG | CAT | H20 | 175.4° | 65.0° |
| CAZ | CBG | CAT | H21 | 57.5° | 55.0° |
| CBD | CAT | CBG | H20 | 121.0° | 120.0° |
| CBD | CAT | CBG | H21 | 121.0° | 120.0° |
| CAT | CBD | CAK | CAI | 176.1° | 179.7° |
| CBD | CAT | CBG | NAX | 55.7° | 65.0° |
| CBD | CAT | CBG | H18 | 179.6° | 55.0° |
| CBD | CAT | H20 | H21 | 116.8° | 120.0° |
| CAT | CBD | CAJ | H22 | 2.5° | 0.1° |
| CAT | CBD | CAK | H25 | 3.9° | 0.0° |
| CAK | CBD | CAT | CBG | 110.5° | 90.0° |
| CBD | CAK | CAI | H25 | 180.0° | 179.7° |
| CAK | CBD | CAT | H20 | 10.6° | 30.0° |
| CAK | CBD | CAT | H21 | 128.5° | 150.0° |
| CAK | CBD | CAJ | H22 | 179.8° | 179.8° |
| CBD | CAK | CAI | H24 | 178.6° | 179.7° |
| CAT | CBG | NAX | H18 | 123.4° | 120.0° |
| CAT | CBG | NAX | CBA | 177.9° | 155.0° |
| CAT | CBG | NAX | H17 | 2.1° | 25.0° |
| CBG | CAT | H20 | H21 | 116.7° | 120.0° |
| CBG | NAX | CBA | OAC | 16.0° | 0.0° |
| CBG | NAX | CBA | H17 | 180.0° | 180.0° |
| CBG | NAX | CBA | N | 169.1° | 180.0° |
| NAX | CBG | CAT | H20 | 65.3° | 55.0° |
| NAX | CBG | CAT | H21 | 176.8° | 175.0° |
| CAR | CAP | CAQ | H8 | 121.1° | 120.0° |
| CAR | CAP | CAQ | H9 | 121.1° | 120.0° |
| CAP | CAR | NAV | H6 | 120.0° | 120.0° |
| CAP | CAR | NAV | H7 | 120.0° | 120.0° |
| CAR | CAP | CAQ | CB | 66.3° | 180.0° |
| CAP | CAR | NAV | CBB | 145.7° | 180.0° |
| CAP | CAR | NAV | H5 | 34.3° | 0.0° |
| CAP | CAR | H6 | H7 | 119.9° | 120.0° |
| CAR | CAP | H8 | H9 | 116.6° | 120.0° |
| CAR | CAP | CAQ | H10 | 173.4° | 60.0° |
| CAR | CAP | CAQ | H11 | 53.9° | 60.0° |
| CAQ | CAP | CAR | NAV | 48.3° | 180.0° |
| CAP | CAQ | CB | H10 | 120.3° | 120.1° |
| CAP | CAQ | CB | H11 | 120.3° | 120.0° |
| CAP | CAQ | CB | CA | 178.8° | 180.0° |
| CAQ | CAP | CAR | H6 | 168.3° | 60.0° |
| CAQ | CAP | CAR | H7 | 71.7° | 60.0° |
| CAQ | CAP | H8 | H9 | 116.6° | 120.0° |
| CAP | CAQ | H10 | H11 | 119.2° | 120.0° |
| CAP | CAQ | CB | H12 | 58.4° | 59.9° |
| CAP | CAQ | CB | H13 | 60.8° | 60.0° |
| OAC | CBA | NAX | N | 174.8° | 180.0° |
| OAC | CBA | N | CA | 6.0° | 0.0° |
| OAC | CBA | N | H16 | 174.0° | 180.0° |
| OAC | CBA | NAX | H17 | 163.9° | 180.0° |
| NAX | CBA | N | CA | 179.3° | 180.0° |
| NAX | CBA | N | H16 | 0.7° | 0.0° |
| CBA | NAX | CBG | H18 | 58.6° | 35.0° |
| CAR | NAV | CBB | OAD | 4.5° | 0.0° |
| CAR | NAV | CBB | H5 | 180.0° | 180.0° |
| CAR | NAV | CBB | CBE | 175.2° | 179.9° |
| NAV | CAR | H6 | H7 | 120.0° | 120.0° |
| NAV | CAR | CAP | H8 | 169.4° | 60.0° |
| NAV | CAR | CAP | H9 | 72.8° | 60.0° |
| CBA | N | CA | CB | 87.6° | 155.0° |
| CBA | N | CA | H16 | 180.0° | 180.0° |
| CBA | N | CA | C | 154.3° | 85.0° |
| CBA | N | CA | H14 | 32.0° | 35.0° |
| N | CBA | NAX | H17 | 10.9° | 0.0° |
| CAQ | CB | CA | H12 | 120.4° | 120.0° |
| CAQ | CB | CA | H13 | 120.4° | 120.0° |
| CAQ | CB | CA | N | 173.5° | 65.0° |
| CAQ | CB | CA | C | 70.0° | 175.0° |
| CB | CAQ | CAP | H8 | 54.7° | 60.0° |
| CB | CAQ | CAP | H9 | 172.6° | 60.1° |
| CB | CAQ | H10 | H11 | 119.2° | 119.9° |
| CAQ | CB | H12 | H13 | 118.7° | 119.9° |
| CAQ | CB | CA | H14 | 53.0° | 55.0° |
| CB | CA | N | C | 118.1° | 120.1° |
| CB | CA | N | H14 | 119.6° | 120.0° |
| CB | CA | C | H14 | 122.8° | 120.0° |
| CB | CA | C | O | 74.8° | 120.0° |
| CB | CA | C | OXT | 103.7° | 60.0° |
| CA | CB | CAQ | H10 | 61.0° | 60.0° |
| CA | CB | CAQ | H11 | 58.5° | 60.0° |
| CA | CB | H12 | H13 | 118.8° | 120.0° |
| CB | CA | N | H16 | 92.4° | 25.1° |
| N | CA | C | H14 | 123.0° | 120.0° |
| N | CA | C | O | 39.4° | 0.0° |
| N | CA | C | OXT | 142.1° | 180.0° |
| N | CA | CB | H12 | 66.1° | 175.0° |
| N | CA | CB | H13 | 53.1° | 55.1° |
| OAD | CBB | NAV | CBE | 170.7° | 179.9° |
| OAD | CBB | CBE | CAN | 37.6° | 0.1° |
| OAD | CBB | CBE | CAO | 137.3° | 179.5° |
| OAD | CBB | NAV | H5 | 175.5° | 180.0° |
| NAV | CBB | CBE | CAN | 151.3° | 180.0° |
| NAV | CBB | CBE | CAO | 33.7° | 0.4° |
| CBB | NAV | CAR | H6 | 94.3° | 60.0° |
| CBB | NAV | CAR | H7 | 25.7° | 60.0° |
| CA | C | O | OXT | 178.2° | 180.0° |
| C | CA | CB | H12 | 50.4° | 55.0° |
| C | CA | CB | H13 | 169.6° | 65.0° |
| CA | C | OXT | H15 | 178.3° | 180.0° |
| C | CA | N | H16 | 25.7° | 95.0° |
| CBB | CBE | CAN | CAO | 175.3° | 179.5° |
| CBB | CBE | CAN | CAL | 178.2° | 179.9° |
| CBB | CBE | CAO | CAM | 176.9° | 180.0° |
| CBB | CBE | CAN | H1 | 1.8° | 0.3° |
| CBB | CBE | CAO | H4 | 3.1° | 0.1° |
| CBE | CBB | NAV | H5 | 4.8° | 0.0° |
| O | C | CA | H14 | 162.4° | 120.0° |
| O | C | OXT | H15 | 0.0° | 0.0° |
| OXT | C | CA | H14 | 19.2° | 60.0° |
| CBE | CAN | CAL | H1 | 180.0° | 179.7° |
| CAN | CBE | CAO | CAM | 1.7° | 0.5° |
| CBE | CAN | CAL | CBC | 3.4° | 0.3° |
| CBE | CAN | CAL | H2 | 176.6° | 179.7° |
| CAN | CBE | CAO | H4 | 178.3° | 179.7° |
| CAO | CBE | CAN | CAL | 2.9° | 0.5° |
| CBE | CAO | CAM | H4 | 180.0° | 179.8° |
| CBE | CAO | CAM | CBC | 0.8° | 0.2° |
| CAO | CBE | CAN | H1 | 177.1° | 179.8° |
| CBE | CAO | CAM | H3 | 179.2° | 179.7° |
| CAN | CAL | CBC | H2 | 180.0° | 180.0° |
| CAN | CAL | CBC | CAM | 2.3° | 0.0° |
| CAN | CAL | CBC | IAG | 178.2° | 180.0° |
| CAO | CAM | CBC | CAL | 1.0° | 0.0° |
| CAO | CAM | CBC | H3 | 180.0° | 180.0° |
| CAO | CAM | CBC | IAG | 179.5° | 180.0° |
| CAL | CBC | CAM | IAG | 179.6° | 179.9° |
| CBC | CAL | CAN | H1 | 176.6° | 180.0° |
| CAL | CBC | CAM | H3 | 179.0° | 180.0° |
| CAM | CBC | CAL | H2 | 177.7° | 180.0° |
| CBC | CAM | CAO | H4 | 179.2° | 179.9° |
| IAG | CBC | CAL | H2 | 1.8° | 0.0° |
| IAG | CBC | CAM | H3 | 0.5° | 0.0° |
| H1 | CAN | CAL | H2 | 3.4° | 0.0° |
| H3 | CAM | CAO | H4 | 0.8° | 0.1° |
| H5 | NAV | CAR | H6 | 85.7° | 120.0° |
| H5 | NAV | CAR | H7 | 154.3° | 119.9° |
| H6 | CAR | CAP | H8 | 70.6° | 180.0° |
| H6 | CAR | CAP | H9 | 47.2° | 60.0° |
| H7 | CAR | CAP | H8 | 49.4° | 60.0° |
| H7 | CAR | CAP | H9 | 167.2° | 180.0° |
| H8 | CAP | CAQ | H10 | 65.5° | 180.0° |
| H8 | CAP | CAQ | H11 | 175.0° | 60.0° |
| H9 | CAP | CAQ | H10 | 52.3° | 60.0° |
| H9 | CAP | CAQ | H11 | 67.2° | 180.0° |
| H10 | CAQ | CB | H12 | 178.6° | 180.0° |
| H10 | CAQ | CB | H13 | 59.5° | 60.1° |
| H11 | CAQ | CB | H12 | 61.9° | 60.1° |
| H11 | CAQ | CB | H13 | 179.0° | 180.0° |
| H12 | CB | CA | H14 | 173.4° | 65.0° |
| H13 | CB | CA | H14 | 67.4° | 175.0° |
| H14 | CA | N | H16 | 148.0° | 145.1° |
| H17 | NAX | CBG | H18 | 121.3° | 145.0° |
| H18 | CBG | CAT | H20 | 58.6° | 175.0° |
| H18 | CBG | CAT | H21 | 59.3° | 65.0° |
| H22 | CAJ | CAH | H23 | 1.9° | 0.1° |
| H24 | CAI | CAK | H25 | 1.3° | 0.0° |
