7XF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAR | sing | 1.51Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| OXT | C | sing | 1.34Å | 1.24Å | |
| OAE | CAT | sing | 1.36Å | 1.35Å | |
| C | CA | sing | 1.51Å | 1.46Å | |
| CAR | CAT | doub | 1.39Å | 1.38Å | Aromatic |
| CAR | NAN | sing | 1.32Å | 1.40Å | Aromatic |
| CAT | CAU | sing | 1.39Å | 1.40Å | Aromatic |
| NAN | CAI | doub | 1.32Å | 1.32Å | Aromatic |
| N | CA | sing | 1.47Å | 1.43Å | |
| N | CAL | sing | 1.47Å | 1.43Å | |
| CA | CB | sing | 1.53Å | 1.36Å | |
| CAU | CAL | sing | 1.51Å | 1.54Å | |
| CAU | CAS | doub | 1.38Å | 1.41Å | Aromatic |
| CB | CAJ | sing | 1.53Å | 1.51Å | |
| CAI | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | SAH | sing | 1.81Å | 1.83Å | |
| CAS | CAM | sing | 1.51Å | 1.53Å | |
| CAM | OAP | sing | 1.43Å | 1.44Å | |
| OAP | PAW | sing | 1.61Å | 1.64Å | |
| OAF | PAW | doub | 1.48Å | 1.46Å | |
| PAW | OAG | sing | 1.61Å | 1.49Å | |
| PAW | OAC | sing | 1.61Å | 1.47Å | |
| OAG | H1 | sing | 0.97Å | 0.95Å | |
| OAC | H2 | sing | 0.97Å | 0.95Å | |
| CAM | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAI | H5 | sing | 1.08Å | 1.08Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| OAE | H9 | sing | 0.97Å | 0.95Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| CA | H14 | sing | 1.09Å | 1.10Å | |
| OXT | H15 | sing | 0.97Å | 0.95Å | |
| CB | H16 | sing | 1.09Å | 1.10Å | |
| CB | H17 | sing | 1.09Å | 1.10Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAJ | H19 | sing | 1.09Å | 1.10Å | |
| SAH | H20 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAR | CAT | 121.5° | 119.7° |
| CAA | CAR | NAN | 121.2° | 119.6° |
| CAR | CAA | H6 | 109.5° | 109.5° |
| CAR | CAA | H7 | 109.5° | 109.4° |
| CAR | CAA | H8 | 109.5° | 109.4° |
| O | C | OXT | 116.7° | 120.0° |
| O | C | CA | 121.7° | 120.0° |
| OXT | C | CA | 121.5° | 120.0° |
| C | OXT | H15 | 109.5° | 116.9° |
| OAE | CAT | CAR | 118.2° | 120.5° |
| OAE | CAT | CAU | 119.0° | 120.5° |
| CAT | OAE | H9 | 109.5° | 114.0° |
| C | CA | N | 111.8° | 109.5° |
| C | CA | CB | 112.4° | 109.5° |
| C | CA | H14 | 105.8° | 109.5° |
| CAT | CAR | NAN | 117.4° | 120.7° |
| CAR | CAT | CAU | 122.8° | 119.0° |
| CAR | NAN | CAI | 121.4° | 121.8° |
| CAT | CAU | CAL | 121.0° | 120.8° |
| CAT | CAU | CAS | 117.3° | 118.4° |
| NAN | CAI | CAS | 122.2° | 120.9° |
| NAN | CAI | H5 | 118.9° | 119.6° |
| CA | N | CAL | 123.5° | 111.0° |
| N | CA | CB | 113.2° | 109.4° |
| CA | N | H12 | 105.9° | 111.0° |
| N | CA | H14 | 106.1° | 109.4° |
| N | CAL | CAU | 114.7° | 109.5° |
| N | CAL | H10 | 108.2° | 109.5° |
| N | CAL | H11 | 108.2° | 109.5° |
| CAL | N | H12 | 105.9° | 111.0° |
| CA | CB | CAJ | 112.4° | 109.5° |
| CB | CA | H14 | 106.9° | 109.5° |
| CA | CB | H16 | 108.7° | 109.5° |
| CA | CB | H17 | 108.7° | 109.4° |
| CAL | CAU | CAS | 121.6° | 120.8° |
| CAU | CAL | H10 | 108.1° | 109.4° |
| CAU | CAL | H11 | 108.1° | 109.4° |
| CAU | CAS | CAI | 119.0° | 119.3° |
| CAU | CAS | CAM | 123.8° | 120.4° |
| CB | CAJ | SAH | 103.4° | 109.5° |
| CAJ | CB | H16 | 108.7° | 109.5° |
| CAJ | CB | H17 | 108.8° | 109.5° |
| CB | CAJ | H18 | 111.0° | 109.5° |
| CB | CAJ | H19 | 111.0° | 109.5° |
| CAI | CAS | CAM | 117.2° | 120.4° |
| CAS | CAI | H5 | 118.9° | 119.6° |
| SAH | CAJ | H18 | 111.0° | 109.4° |
| SAH | CAJ | H19 | 111.0° | 109.5° |
| CAJ | SAH | H20 | 102.0° | 103.0° |
| CAS | CAM | OAP | 106.3° | 109.4° |
| CAS | CAM | H3 | 110.2° | 109.5° |
| CAS | CAM | H4 | 110.2° | 109.4° |
| CAM | OAP | PAW | 121.1° | 123.0° |
| OAP | CAM | H3 | 110.3° | 109.5° |
| OAP | CAM | H4 | 110.3° | 109.5° |
| OAP | PAW | OAF | 107.5° | 109.5° |
| OAP | PAW | OAG | 106.3° | 109.5° |
| OAP | PAW | OAC | 106.8° | 109.5° |
| OAF | PAW | OAG | 111.1° | 109.5° |
| OAF | PAW | OAC | 111.3° | 109.4° |
| OAG | PAW | OAC | 113.5° | 109.4° |
| PAW | OAG | H1 | 109.5° | 114.0° |
| PAW | OAC | H2 | 109.5° | 114.0° |
| H3 | CAM | H4 | 109.4° | 109.5° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H8 | 109.4° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H10 | CAL | H11 | 109.5° | 109.5° |
| H16 | CB | H17 | 109.5° | 109.5° |
| H18 | CAJ | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAR | CAT | OAE | 0.2° | 0.2° |
| CAA | CAR | CAT | NAN | 179.5° | 179.8° |
| CAA | CAR | CAT | CAU | 179.4° | 180.0° |
| CAA | CAR | NAN | CAI | 179.6° | 179.7° |
| CAR | CAA | H6 | H7 | 120.0° | 120.0° |
| CAR | CAA | H6 | H8 | 120.0° | 120.0° |
| CAR | CAA | H7 | H8 | 120.0° | 119.9° |
| O | C | OXT | CA | 178.5° | 179.9° |
| O | C | CA | N | 48.9° | 0.1° |
| O | C | CA | CB | 79.7° | 120.0° |
| O | C | CA | H14 | 164.0° | 119.9° |
| O | C | OXT | H15 | 0.0° | 0.1° |
| OXT | C | CA | N | 132.6° | 180.0° |
| OXT | C | CA | CB | 98.8° | 60.1° |
| OXT | C | CA | H14 | 17.6° | 60.0° |
| OAE | CAT | CAR | CAU | 179.6° | 179.8° |
| OAE | CAT | CAR | NAN | 179.3° | 180.0° |
| OAE | CAT | CAU | CAL | 2.7° | 0.2° |
| OAE | CAT | CAU | CAS | 179.7° | 179.8° |
| C | CA | N | CB | 128.1° | 120.0° |
| C | CA | N | H14 | 114.8° | 120.0° |
| C | CA | N | CAL | 171.5° | 85.0° |
| C | CA | CB | H14 | 115.7° | 120.1° |
| C | CA | CB | CAJ | 67.4° | 175.0° |
| C | CA | N | H12 | 66.6° | 38.9° |
| CA | C | OXT | H15 | 178.5° | 180.0° |
| C | CA | CB | H16 | 172.2° | 65.0° |
| C | CA | CB | H17 | 53.0° | 55.0° |
| CAT | CAR | NAN | CAI | 0.9° | 0.0° |
| CAR | CAT | CAU | CAL | 176.9° | 180.0° |
| CAR | CAT | CAU | CAS | 0.1° | 0.4° |
| CAT | CAR | CAA | H6 | 179.5° | 90.0° |
| CAT | CAR | CAA | H7 | 59.5° | 150.0° |
| CAT | CAR | CAA | H8 | 60.5° | 30.0° |
| CAR | CAT | OAE | H9 | 180.0° | 90.0° |
| NAN | CAR | CAT | CAU | 1.1° | 0.2° |
| CAR | NAN | CAI | CAS | 0.2° | 0.0° |
| CAR | NAN | CAI | H5 | 179.8° | 180.0° |
| NAN | CAR | CAA | H6 | 0.0° | 89.8° |
| NAN | CAR | CAA | H7 | 120.0° | 30.3° |
| NAN | CAR | CAA | H8 | 120.0° | 150.2° |
| CAT | CAU | CAL | N | 26.0° | 90.0° |
| CAT | CAU | CAL | CAS | 176.9° | 179.6° |
| CAT | CAU | CAS | CAI | 1.1° | 0.5° |
| CAT | CAU | CAS | CAM | 179.2° | 179.8° |
| CAU | CAT | OAE | H9 | 0.4° | 89.8° |
| CAT | CAU | CAL | H10 | 146.8° | 150.0° |
| CAT | CAU | CAL | H11 | 94.7° | 30.0° |
| NAN | CAI | CAS | CAU | 1.2° | 0.2° |
| NAN | CAI | CAS | H5 | 180.0° | 180.0° |
| NAN | CAI | CAS | CAM | 179.5° | 180.0° |
| CA | N | CAL | H12 | 121.9° | 124.0° |
| N | CA | CB | H14 | 116.5° | 120.0° |
| CA | N | CAL | CAU | 174.6° | 180.0° |
| N | CA | CB | CAJ | 164.8° | 65.0° |
| CA | N | CAL | H10 | 53.9° | 60.0° |
| CA | N | CAL | H11 | 64.6° | 60.0° |
| N | CA | CB | H16 | 44.4° | 55.0° |
| N | CA | CB | H17 | 74.8° | 175.0° |
| CAL | N | CA | CB | 43.4° | 155.0° |
| N | CAL | CAU | H10 | 120.8° | 120.0° |
| N | CAL | CAU | H11 | 120.8° | 120.0° |
| N | CAL | CAU | CAS | 150.9° | 90.5° |
| N | CAL | H10 | H11 | 117.7° | 120.0° |
| CAL | N | CA | H14 | 73.7° | 35.0° |
| CA | CB | CAJ | H16 | 120.4° | 120.0° |
| CA | CB | CAJ | H17 | 120.4° | 120.0° |
| CA | CB | CAJ | SAH | 168.7° | 180.0° |
| CB | CA | N | H12 | 165.3° | 81.0° |
| CA | CB | H16 | H17 | 118.7° | 119.9° |
| CA | CB | CAJ | H18 | 49.7° | 60.0° |
| CA | CB | CAJ | H19 | 72.3° | 60.0° |
| CAL | CAU | CAS | CAI | 178.1° | 180.0° |
| CAL | CAU | CAS | CAM | 3.8° | 0.2° |
| CAU | CAL | H10 | H11 | 117.6° | 120.0° |
| CAU | CAL | N | H12 | 63.4° | 56.0° |
| CAU | CAS | CAI | CAM | 178.3° | 179.8° |
| CAU | CAS | CAM | OAP | 81.1° | 179.8° |
| CAU | CAS | CAM | H3 | 159.4° | 59.8° |
| CAU | CAS | CAM | H4 | 38.4° | 60.2° |
| CAU | CAS | CAI | H5 | 178.7° | 179.8° |
| CAS | CAU | CAL | H10 | 30.1° | 29.5° |
| CAS | CAU | CAL | H11 | 88.4° | 149.6° |
| CB | CAJ | SAH | H18 | 119.0° | 120.0° |
| CB | CAJ | SAH | H19 | 119.0° | 120.0° |
| CAJ | CB | CA | H14 | 48.2° | 55.0° |
| CAJ | CB | H16 | H17 | 118.7° | 120.1° |
| CB | CAJ | H18 | H19 | 122.8° | 120.0° |
| CB | CAJ | SAH | H20 | 180.0° | 180.0° |
| CAI | CAS | CAM | OAP | 97.1° | 0.0° |
| CAI | CAS | CAM | H3 | 22.4° | 120.0° |
| CAI | CAS | CAM | H4 | 143.4° | 120.0° |
| SAH | CAJ | CB | H16 | 70.9° | 60.0° |
| SAH | CAJ | CB | H17 | 48.2° | 60.0° |
| SAH | CAJ | H18 | H19 | 122.8° | 120.0° |
| CAS | CAM | OAP | H3 | 119.5° | 120.0° |
| CAS | CAM | OAP | H4 | 119.5° | 119.9° |
| CAS | CAM | OAP | PAW | 157.3° | 180.0° |
| CAS | CAM | H3 | H4 | 121.4° | 120.0° |
| CAM | CAS | CAI | H5 | 0.5° | 0.0° |
| CAM | OAP | PAW | OAF | 60.5° | 55.0° |
| CAM | OAP | PAW | OAG | 179.5° | 175.0° |
| CAM | OAP | PAW | OAC | 59.1° | 65.0° |
| OAP | CAM | H3 | H4 | 121.5° | 120.1° |
| OAP | PAW | OAF | OAG | 115.9° | 120.0° |
| OAP | PAW | OAF | OAC | 116.6° | 120.0° |
| OAP | PAW | OAG | OAC | 117.1° | 120.0° |
| OAP | PAW | OAG | H1 | 116.6° | 180.0° |
| OAP | PAW | OAC | H2 | 117.0° | 60.0° |
| PAW | OAP | CAM | H3 | 83.2° | 60.0° |
| PAW | OAP | CAM | H4 | 37.8° | 60.1° |
| OAF | PAW | OAG | OAC | 126.3° | 120.0° |
| OAF | PAW | OAG | H1 | 0.0° | 59.9° |
| OAF | PAW | OAC | H2 | 0.0° | 180.0° |
| OAG | PAW | OAC | H2 | 126.2° | 60.0° |
| OAC | PAW | OAG | H1 | 126.3° | 60.1° |
| H6 | CAA | H7 | H8 | 120.0° | 120.0° |
| H10 | CAL | N | H12 | 175.8° | 63.9° |
| H11 | CAL | N | H12 | 57.3° | 176.0° |
| H12 | N | CA | H14 | 48.3° | 159.0° |
| H14 | CA | CB | H16 | 72.2° | 175.0° |
| H14 | CA | CB | H17 | 168.7° | 65.1° |
| H16 | CB | CAJ | H18 | 170.1° | 180.0° |
| H16 | CB | CAJ | H19 | 48.1° | 60.0° |
| H17 | CB | CAJ | H18 | 70.8° | 60.0° |
| H17 | CB | CAJ | H19 | 167.3° | 180.0° |
| H18 | CAJ | SAH | H20 | 61.0° | 60.0° |
| H19 | CAJ | SAH | H20 | 61.0° | 60.0° |
