FJB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.16Å | |
| C | CA | sing | 1.51Å | 1.57Å | |
| C | NAD | sing | 1.35Å | 1.34Å | |
| CA | CAJ | sing | 1.51Å | 1.57Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| OAN | CAM | doub | 1.21Å | 1.17Å | |
| CAJ | NAI | doub | 1.31Å | 1.31Å | Aromatic |
| CAJ | NAH | sing | 1.33Å | 1.26Å | Aromatic |
| NAI | NAG | sing | 1.29Å | 1.31Å | Aromatic |
| NAG | NAF | sing | 1.29Å | 1.31Å | Aromatic |
| NAH | NAF | doub | 1.29Å | 1.28Å | Aromatic |
| CAM | N | sing | 1.35Å | 1.34Å | |
| CAM | CAO | sing | 1.51Å | 1.53Å | |
| NAD | NAE | sing | 1.37Å | 1.33Å | |
| CAP | CAO | sing | 1.53Å | 1.48Å | |
| CAP | CAQ | sing | 1.53Å | 1.56Å | |
| CAR | CAQ | sing | 1.53Å | 1.44Å | |
| CAR | CAS | sing | 1.51Å | 1.39Å | |
| CAA | CAS | doub | 1.38Å | 1.36Å | Aromatic |
| CAA | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAW | sing | 1.38Å | 1.37Å | Aromatic |
| CAT | CAU | doub | 1.38Å | 1.37Å | Aromatic |
| CAW | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAU | CAV | sing | 1.38Å | 1.38Å | Aromatic |
| N | H | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAQ | sing | 1.09Å | 1.10Å | |
| CAP | HAR | sing | 1.09Å | 1.10Å | |
| CAQ | HAS | sing | 1.09Å | 1.10Å | |
| CAQ | HAT | sing | 1.09Å | 1.10Å | |
| CAR | HAU | sing | 1.09Å | 1.10Å | |
| CAR | HAV | sing | 1.09Å | 1.10Å | |
| CAT | HAW | sing | 1.08Å | 1.08Å | |
| CAU | HAX | sing | 1.08Å | 1.08Å | |
| CAV | HAY | sing | 1.08Å | 1.08Å | |
| CAW | HAZ | sing | 1.08Å | 1.08Å | |
| NAD | HAD | sing | 0.97Å | 1.00Å | |
| NAE | HAE | sing | 1.01Å | 1.00Å | |
| NAE | HA0 | sing | 1.01Å | 1.00Å | |
| NAG | HAG | sing | 0.97Å | 1.00Å | |
| NAE | HA1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 117.2° | 120.0° |
| O | C | NAD | 126.0° | 120.0° |
| CA | C | NAD | 116.7° | 120.0° |
| C | CA | CAJ | 116.9° | 109.5° |
| C | CA | N | 116.5° | 109.4° |
| C | CA | HA | 105.4° | 109.5° |
| C | NAD | NAE | 125.5° | 120.0° |
| C | NAD | HAD | 117.2° | 120.0° |
| CAJ | CA | N | 105.0° | 109.4° |
| CA | CAJ | NAI | 123.2° | 126.6° |
| CA | CAJ | NAH | 126.9° | 126.5° |
| CAJ | CA | HA | 105.5° | 109.5° |
| CA | N | CAM | 120.2° | 120.0° |
| CA | N | H | 119.9° | 120.0° |
| N | CA | HA | 106.6° | 109.5° |
| OAN | CAM | N | 124.2° | 120.0° |
| OAN | CAM | CAO | 118.5° | 120.0° |
| NAI | CAJ | NAH | 109.8° | 106.9° |
| CAJ | NAI | NAG | 105.5° | 108.0° |
| CAJ | NAH | NAF | 109.2° | 107.3° |
| NAI | NAG | NAF | 108.3° | 109.1° |
| NAI | NAG | HAG | 125.8° | 125.5° |
| NAG | NAF | NAH | 107.1° | 108.7° |
| NAF | NAG | HAG | 125.8° | 125.4° |
| N | CAM | CAO | 117.1° | 120.0° |
| CAM | N | H | 119.9° | 120.0° |
| CAM | CAO | CAP | 109.3° | 109.5° |
| CAM | CAO | HAO | 109.5° | 109.5° |
| CAM | CAO | HAP | 109.5° | 109.5° |
| NAE | NAD | HAD | 117.3° | 120.0° |
| NAD | NAE | HAE | 109.5° | 109.5° |
| NAD | NAE | HA0 | 109.5° | 109.5° |
| NAD | NAE | HA1 | 109.5° | 109.4° |
| CAO | CAP | CAQ | 108.7° | 109.5° |
| CAP | CAO | HAO | 109.5° | 109.5° |
| CAP | CAO | HAP | 109.5° | 109.5° |
| CAO | CAP | HAQ | 109.7° | 109.5° |
| CAO | CAP | HAR | 109.7° | 109.5° |
| CAP | CAQ | CAR | 106.5° | 109.5° |
| CAQ | CAP | HAQ | 109.7° | 109.5° |
| CAQ | CAP | HAR | 109.7° | 109.4° |
| CAP | CAQ | HAS | 110.2° | 109.5° |
| CAP | CAQ | HAT | 110.2° | 109.4° |
| CAQ | CAR | CAS | 116.4° | 109.5° |
| CAR | CAQ | HAS | 110.2° | 109.5° |
| CAR | CAQ | HAT | 110.2° | 109.5° |
| CAQ | CAR | HAU | 107.7° | 109.5° |
| CAQ | CAR | HAV | 107.7° | 109.5° |
| CAR | CAS | CAA | 116.9° | 120.0° |
| CAR | CAS | CAW | 123.4° | 120.0° |
| CAS | CAR | HAU | 107.7° | 109.5° |
| CAS | CAR | HAV | 107.7° | 109.5° |
| CAS | CAA | CAT | 119.3° | 120.0° |
| CAA | CAS | CAW | 119.7° | 120.0° |
| CAS | CAA | HAA | 120.4° | 119.9° |
| CAA | CAT | CAU | 121.0° | 120.0° |
| CAT | CAA | HAA | 120.3° | 120.1° |
| CAA | CAT | HAW | 119.5° | 119.9° |
| CAS | CAW | CAV | 122.0° | 120.0° |
| CAS | CAW | HAZ | 119.0° | 120.0° |
| CAT | CAU | CAV | 120.4° | 120.0° |
| CAU | CAT | HAW | 119.5° | 120.1° |
| CAT | CAU | HAX | 119.8° | 120.0° |
| CAW | CAV | CAU | 117.5° | 120.0° |
| CAW | CAV | HAY | 121.2° | 120.0° |
| CAV | CAW | HAZ | 119.0° | 120.0° |
| CAV | CAU | HAX | 119.8° | 120.0° |
| CAU | CAV | HAY | 121.3° | 120.0° |
| HAO | CAO | HAP | 109.5° | 109.4° |
| HAQ | CAP | HAR | 109.5° | 109.5° |
| HAS | CAQ | HAT | 109.5° | 109.5° |
| HAU | CAR | HAV | 109.5° | 109.4° |
| HAE | NAE | HA0 | 109.5° | 109.5° |
| HAE | NAE | HA1 | 109.5° | 109.5° |
| HA0 | NAE | HA1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | NAD | 177.9° | 179.9° |
| O | C | CA | CAJ | 76.9° | 119.9° |
| O | C | CA | N | 157.8° | 0.0° |
| O | C | NAD | NAE | 1.0° | 0.1° |
| O | C | CA | HA | 39.9° | 120.0° |
| O | C | NAD | HAD | 179.0° | 179.9° |
| C | CA | CAJ | N | 130.9° | 120.0° |
| C | CA | CAJ | HA | 116.7° | 120.1° |
| C | CA | N | HA | 117.3° | 120.0° |
| C | CA | CAJ | NAI | 175.4° | 105.0° |
| C | CA | CAJ | NAH | 8.0° | 75.3° |
| C | CA | N | CAM | 60.8° | 85.3° |
| CA | C | NAD | NAE | 178.7° | 180.0° |
| C | CA | N | H | 119.2° | 95.0° |
| CA | C | NAD | HAD | 1.3° | 0.0° |
| NAD | C | CA | CAJ | 101.0° | 60.0° |
| NAD | C | CA | N | 24.3° | 180.0° |
| C | NAD | NAE | HAD | 180.0° | 180.0° |
| NAD | C | CA | HA | 142.2° | 60.1° |
| C | NAD | NAE | HAE | 180.0° | 60.0° |
| C | NAD | NAE | HA0 | 60.0° | 60.0° |
| C | NAD | NAE | HA1 | 60.0° | 180.0° |
| CAJ | CA | N | HA | 111.6° | 120.0° |
| CA | CAJ | NAI | NAH | 177.1° | 179.8° |
| CA | CAJ | NAI | NAG | 179.3° | 180.0° |
| CA | CAJ | NAH | NAF | 178.8° | 180.0° |
| CAJ | CA | N | CAM | 168.1° | 154.7° |
| CAJ | CA | N | H | 11.9° | 25.0° |
| CA | N | CAM | OAN | 7.9° | 0.3° |
| N | CA | CAJ | NAI | 53.7° | 135.0° |
| N | CA | CAJ | NAH | 122.9° | 44.7° |
| CA | N | CAM | H | 180.0° | 179.7° |
| CA | N | CAM | CAO | 176.9° | 179.7° |
| OAN | CAM | N | CAO | 175.2° | 179.9° |
| OAN | CAM | CAO | CAP | 58.3° | 0.0° |
| OAN | CAM | N | H | 172.1° | 180.0° |
| OAN | CAM | CAO | HAO | 178.3° | 120.0° |
| OAN | CAM | CAO | HAP | 61.7° | 120.0° |
| CAJ | NAI | NAG | NAF | 1.9° | 0.1° |
| NAI | CAJ | NAH | NAF | 1.8° | 0.3° |
| NAI | CAJ | CA | HA | 58.7° | 15.1° |
| CAJ | NAI | NAG | HAG | 178.2° | 179.8° |
| NAH | CAJ | NAI | NAG | 2.3° | 0.2° |
| CAJ | NAH | NAF | NAG | 0.6° | 0.2° |
| NAH | CAJ | CA | HA | 124.7° | 164.7° |
| NAI | NAG | NAF | HAG | 180.0° | 180.0° |
| NAI | NAG | NAF | NAH | 0.8° | 0.0° |
| NAH | NAF | NAG | HAG | 179.2° | 180.0° |
| N | CAM | CAO | CAP | 126.2° | 179.9° |
| CAM | N | CA | HA | 56.4° | 34.7° |
| N | CAM | CAO | HAO | 6.2° | 60.0° |
| N | CAM | CAO | HAP | 113.8° | 59.9° |
| CAM | CAO | CAP | HAO | 120.0° | 120.0° |
| CAM | CAO | CAP | HAP | 119.9° | 120.0° |
| CAM | CAO | CAP | CAQ | 175.0° | 180.0° |
| CAO | CAM | N | H | 3.1° | 0.0° |
| CAM | CAO | HAO | HAP | 120.0° | 120.0° |
| CAM | CAO | CAP | HAQ | 55.1° | 60.0° |
| CAM | CAO | CAP | HAR | 65.1° | 60.0° |
| NAD | NAE | HAE | HA0 | 120.0° | 120.0° |
| NAD | NAE | HAE | HA1 | 120.0° | 119.9° |
| NAD | NAE | HA0 | HA1 | 120.0° | 120.0° |
| CAO | CAP | CAQ | HAQ | 119.9° | 120.0° |
| CAO | CAP | CAQ | HAR | 119.9° | 120.0° |
| CAO | CAP | CAQ | CAR | 127.9° | 180.0° |
| CAP | CAO | HAO | HAP | 120.1° | 120.0° |
| CAO | CAP | HAQ | HAR | 120.4° | 120.0° |
| CAO | CAP | CAQ | HAS | 112.6° | 60.0° |
| CAO | CAP | CAQ | HAT | 8.4° | 60.1° |
| CAP | CAQ | CAR | HAS | 119.5° | 120.0° |
| CAP | CAQ | CAR | HAT | 119.5° | 119.9° |
| CAP | CAQ | CAR | CAS | 169.0° | 180.0° |
| CAQ | CAP | CAO | HAO | 65.0° | 60.0° |
| CAQ | CAP | CAO | HAP | 55.1° | 60.0° |
| CAQ | CAP | HAQ | HAR | 120.4° | 120.0° |
| CAP | CAQ | HAS | HAT | 121.4° | 120.0° |
| CAP | CAQ | CAR | HAU | 69.9° | 60.0° |
| CAP | CAQ | CAR | HAV | 48.0° | 60.0° |
| CAQ | CAR | CAS | HAU | 121.0° | 120.0° |
| CAQ | CAR | CAS | HAV | 121.0° | 120.0° |
| CAQ | CAR | CAS | CAA | 172.0° | 90.0° |
| CAQ | CAR | CAS | CAW | 7.1° | 89.9° |
| CAR | CAQ | CAP | HAQ | 8.0° | 60.0° |
| CAR | CAQ | CAP | HAR | 112.2° | 60.0° |
| CAR | CAQ | HAS | HAT | 121.4° | 120.0° |
| CAQ | CAR | HAU | HAV | 116.8° | 120.0° |
| CAR | CAS | CAA | CAW | 179.1° | 179.9° |
| CAR | CAS | CAA | CAT | 178.7° | 180.0° |
| CAR | CAS | CAW | CAV | 177.1° | 180.0° |
| CAR | CAS | CAA | HAA | 1.4° | 0.3° |
| CAS | CAR | CAQ | HAS | 49.5° | 60.0° |
| CAS | CAR | CAQ | HAT | 71.4° | 60.0° |
| CAS | CAR | HAU | HAV | 116.9° | 120.0° |
| CAR | CAS | CAW | HAZ | 3.0° | 0.1° |
| CAS | CAA | CAT | HAA | 180.0° | 179.7° |
| CAS | CAA | CAT | CAU | 0.3° | 0.0° |
| CAA | CAS | CAW | CAV | 3.9° | 0.1° |
| CAA | CAS | CAR | HAU | 67.0° | 30.0° |
| CAA | CAS | CAR | HAV | 51.0° | 150.0° |
| CAS | CAA | CAT | HAW | 179.7° | 180.0° |
| CAA | CAS | CAW | HAZ | 176.1° | 180.0° |
| CAT | CAA | CAS | CAW | 2.2° | 0.0° |
| CAA | CAT | CAU | HAW | 180.0° | 180.0° |
| CAA | CAT | CAU | CAV | 0.0° | 0.1° |
| CAA | CAT | CAU | HAX | 180.0° | 180.0° |
| CAS | CAW | CAV | HAZ | 180.0° | 179.9° |
| CAS | CAW | CAV | CAU | 3.5° | 0.0° |
| CAW | CAS | CAA | HAA | 177.8° | 179.7° |
| CAW | CAS | CAR | HAU | 113.9° | 150.1° |
| CAW | CAS | CAR | HAV | 128.1° | 30.1° |
| CAS | CAW | CAV | HAY | 176.5° | 179.9° |
| CAT | CAU | CAV | CAW | 1.5° | 0.0° |
| CAT | CAU | CAV | HAX | 180.0° | 179.9° |
| CAU | CAT | CAA | HAA | 179.6° | 179.7° |
| CAT | CAU | CAV | HAY | 178.5° | 180.0° |
| CAW | CAV | CAU | HAY | 180.0° | 179.9° |
| CAW | CAV | CAU | HAX | 178.5° | 180.0° |
| CAV | CAU | CAT | HAW | 180.0° | 180.0° |
| CAU | CAV | CAW | HAZ | 176.5° | 180.0° |
| H | N | CA | HA | 123.5° | 145.0° |
| HAA | CAA | CAT | HAW | 0.4° | 0.3° |
| HAO | CAO | CAP | HAQ | 175.1° | 180.0° |
| HAO | CAO | CAP | HAR | 54.9° | 60.0° |
| HAP | CAO | CAP | HAQ | 64.8° | 60.0° |
| HAP | CAO | CAP | HAR | 174.9° | 180.0° |
| HAQ | CAP | CAQ | HAS | 127.5° | 180.0° |
| HAQ | CAP | CAQ | HAT | 111.5° | 60.0° |
| HAR | CAP | CAQ | HAS | 7.3° | 60.0° |
| HAR | CAP | CAQ | HAT | 128.3° | 180.0° |
| HAS | CAQ | CAR | HAU | 170.5° | 180.0° |
| HAS | CAQ | CAR | HAV | 71.5° | 60.0° |
| HAT | CAQ | CAR | HAU | 49.6° | 60.0° |
| HAT | CAQ | CAR | HAV | 167.6° | 180.0° |
| HAW | CAT | CAU | HAX | 0.0° | 0.0° |
| HAX | CAU | CAV | HAY | 1.5° | 0.1° |
| HAY | CAV | CAW | HAZ | 3.5° | 0.0° |
| HAD | NAD | NAE | HAE | 0.0° | 120.0° |
| HAD | NAD | NAE | HA0 | 120.0° | 120.0° |
| HAD | NAD | NAE | HA1 | 120.0° | 0.0° |
| HAE | NAE | HA0 | HA1 | 120.0° | 120.0° |
