FEJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAS | sing | 1.51Å | 1.40Å | |
| CAS | NAR | doub | 1.32Å | 1.34Å | Aromatic |
| CAS | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| OAU | CAT | sing | 1.36Å | 1.36Å | |
| NAR | CAO | sing | 1.32Å | 1.40Å | Aromatic |
| CAT | CAN | doub | 1.40Å | 1.41Å | Aromatic |
| OXT | C | doub | 1.21Å | 1.25Å | |
| CAO | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAN | CAL | sing | 1.48Å | 1.41Å | |
| C | O | sing | 1.34Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| N | CAL | doub | 1.29Å | 1.34Å | |
| N | CA | sing | 1.46Å | 1.49Å | |
| CAM | CAB | sing | 1.51Å | 1.41Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| OG | CB | sing | 1.43Å | 1.43Å | |
| CAB | OAC | sing | 1.43Å | 1.43Å | |
| OAQ | PAP | doub | 1.48Å | 1.48Å | |
| CB | CG | sing | 1.53Å | 1.56Å | |
| OAC | PAP | sing | 1.61Å | 1.60Å | |
| PAP | OAD | sing | 1.61Å | 1.58Å | |
| PAP | OAE | sing | 1.61Å | 1.48Å | |
| CG | CD1 | sing | 1.53Å | 1.54Å | |
| CG | CD2 | sing | 1.53Å | 1.54Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| OAE | H2 | sing | 0.97Å | 0.95Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAO | 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 | |
| OAU | H9 | sing | 0.97Å | 0.95Å | |
| CAL | H10 | sing | 1.08Å | 1.08Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| O | H12 | sing | 0.97Å | 0.95Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| OG | H14 | sing | 0.97Å | 0.95Å | |
| CG | H15 | sing | 1.09Å | 1.10Å | |
| CD2 | H16 | sing | 1.09Å | 1.10Å | |
| CD2 | H17 | sing | 1.09Å | 1.10Å | |
| CD2 | H18 | sing | 1.09Å | 1.10Å | |
| CD1 | H19 | sing | 1.09Å | 1.10Å | |
| CD1 | H20 | sing | 1.09Å | 1.10Å | |
| CD1 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAS | NAR | 118.2° | 119.6° |
| CAA | CAS | CAT | 122.8° | 119.6° |
| CAS | CAA | H6 | 109.5° | 109.4° |
| CAS | CAA | H7 | 109.5° | 109.5° |
| CAS | CAA | H8 | 109.5° | 109.5° |
| NAR | CAS | CAT | 119.0° | 120.8° |
| CAS | NAR | CAO | 120.3° | 122.1° |
| CAS | CAT | OAU | 117.6° | 120.6° |
| CAS | CAT | CAN | 123.0° | 118.9° |
| OAU | CAT | CAN | 119.5° | 120.6° |
| CAT | OAU | H9 | 109.5° | 114.0° |
| NAR | CAO | CAM | 121.7° | 121.1° |
| NAR | CAO | H5 | 119.2° | 119.4° |
| CAT | CAN | CAM | 116.9° | 118.1° |
| CAT | CAN | CAL | 123.0° | 121.0° |
| OXT | C | O | 125.4° | 120.1° |
| OXT | C | CA | 117.1° | 120.0° |
| CAO | CAM | CAN | 119.1° | 119.0° |
| CAO | CAM | CAB | 117.9° | 120.5° |
| CAM | CAO | H5 | 119.2° | 119.5° |
| CAM | CAN | CAL | 120.0° | 120.9° |
| CAN | CAM | CAB | 123.0° | 120.5° |
| CAN | CAL | N | 122.7° | 120.0° |
| CAN | CAL | H10 | 118.6° | 120.0° |
| O | C | CA | 117.5° | 120.0° |
| C | O | H12 | 109.5° | 117.0° |
| C | CA | N | 107.8° | 109.5° |
| C | CA | CB | 111.8° | 109.5° |
| C | CA | H11 | 107.2° | 109.5° |
| CAL | N | CA | 123.3° | 120.0° |
| N | CAL | H10 | 118.7° | 120.0° |
| N | CA | CB | 115.0° | 109.4° |
| N | CA | H11 | 107.7° | 109.5° |
| CAM | CAB | OAC | 111.6° | 109.5° |
| CAM | CAB | H3 | 108.9° | 109.4° |
| CAM | CAB | H4 | 108.9° | 109.5° |
| CA | CB | OG | 109.6° | 109.5° |
| CA | CB | CG | 112.7° | 109.5° |
| CB | CA | H11 | 107.0° | 109.4° |
| CA | CB | H13 | 108.3° | 109.4° |
| OG | CB | CG | 108.0° | 109.5° |
| OG | CB | H13 | 109.9° | 109.5° |
| CB | OG | H14 | 109.5° | 113.9° |
| CAB | OAC | PAP | 120.4° | 123.0° |
| OAC | CAB | H3 | 108.9° | 109.4° |
| OAC | CAB | H4 | 109.0° | 109.5° |
| OAQ | PAP | OAC | 106.9° | 109.5° |
| OAQ | PAP | OAD | 108.9° | 109.5° |
| OAQ | PAP | OAE | 119.3° | 109.5° |
| CB | CG | CD1 | 113.6° | 109.4° |
| CB | CG | CD2 | 109.7° | 109.5° |
| CG | CB | H13 | 108.2° | 109.5° |
| CB | CG | H15 | 108.0° | 109.5° |
| OAC | PAP | OAD | 102.6° | 109.5° |
| OAC | PAP | OAE | 108.9° | 109.4° |
| OAD | PAP | OAE | 108.8° | 109.4° |
| PAP | OAD | H1 | 109.5° | 114.0° |
| PAP | OAE | H2 | 109.5° | 114.1° |
| CD1 | CG | CD2 | 108.8° | 109.5° |
| CD1 | CG | H15 | 108.2° | 109.5° |
| CG | CD1 | H19 | 109.5° | 109.5° |
| CG | CD1 | H20 | 109.5° | 109.5° |
| CG | CD1 | H21 | 109.5° | 109.5° |
| CD2 | CG | H15 | 108.3° | 109.5° |
| CG | CD2 | H16 | 109.5° | 109.5° |
| CG | CD2 | H17 | 109.4° | 109.4° |
| CG | CD2 | H18 | 109.5° | 109.5° |
| H3 | CAB | H4 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.4° | 109.5° |
| H6 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H16 | CD2 | H17 | 109.5° | 109.5° |
| H16 | CD2 | H18 | 109.5° | 109.5° |
| H17 | CD2 | H18 | 109.5° | 109.5° |
| H19 | CD1 | H20 | 109.4° | 109.4° |
| H19 | CD1 | H21 | 109.4° | 109.5° |
| H20 | CD1 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAS | NAR | CAT | 179.8° | 180.0° |
| CAA | CAS | CAT | OAU | 0.2° | 0.0° |
| CAA | CAS | NAR | CAO | 179.9° | 180.0° |
| CAA | CAS | CAT | CAN | 179.2° | 179.8° |
| CAS | CAA | H6 | H7 | 120.0° | 120.0° |
| CAS | CAA | H6 | H8 | 120.0° | 120.0° |
| CAS | CAA | H7 | H8 | 120.0° | 120.0° |
| NAR | CAS | CAT | OAU | 180.0° | 180.0° |
| NAR | CAS | CAT | CAN | 1.0° | 0.2° |
| CAS | NAR | CAO | CAM | 0.2° | 0.1° |
| CAS | NAR | CAO | H5 | 179.8° | 180.0° |
| NAR | CAS | CAA | H6 | 0.0° | 90.0° |
| NAR | CAS | CAA | H7 | 120.0° | 150.0° |
| NAR | CAS | CAA | H8 | 120.0° | 30.0° |
| CAS | CAT | OAU | CAN | 179.1° | 179.8° |
| CAT | CAS | NAR | CAO | 0.1° | 0.0° |
| CAS | CAT | CAN | CAM | 1.9° | 0.4° |
| CAS | CAT | CAN | CAL | 178.3° | 180.0° |
| CAT | CAS | CAA | H6 | 179.8° | 90.0° |
| CAT | CAS | CAA | H7 | 59.8° | 30.0° |
| CAT | CAS | CAA | H8 | 60.2° | 150.0° |
| CAS | CAT | OAU | H9 | 180.0° | 90.0° |
| OAU | CAT | CAN | CAM | 179.1° | 179.8° |
| OAU | CAT | CAN | CAL | 2.7° | 0.2° |
| NAR | CAO | CAM | H5 | 180.0° | 179.9° |
| NAR | CAO | CAM | CAN | 1.2° | 0.3° |
| NAR | CAO | CAM | CAB | 179.6° | 180.0° |
| CAT | CAN | CAM | CAO | 1.9° | 0.5° |
| CAT | CAN | CAM | CAL | 176.5° | 179.6° |
| CAT | CAN | CAL | N | 3.0° | 0.0° |
| CAT | CAN | CAM | CAB | 179.7° | 179.8° |
| CAN | CAT | OAU | H9 | 0.9° | 89.8° |
| CAT | CAN | CAL | H10 | 177.0° | 180.0° |
| OXT | C | O | CA | 178.3° | 180.0° |
| OXT | C | CA | N | 15.2° | 25.3° |
| OXT | C | CA | CB | 142.5° | 94.7° |
| OXT | C | CA | H11 | 100.5° | 145.3° |
| OXT | C | O | H12 | 0.0° | 4.8° |
| CAO | CAM | CAN | CAB | 178.4° | 179.8° |
| CAO | CAM | CAN | CAL | 178.4° | 180.0° |
| CAO | CAM | CAB | OAC | 119.3° | 0.0° |
| CAO | CAM | CAB | H3 | 1.0° | 120.0° |
| CAO | CAM | CAB | H4 | 120.3° | 120.0° |
| CAM | CAN | CAL | N | 179.3° | 179.5° |
| CAN | CAM | CAB | OAC | 62.3° | 179.7° |
| CAN | CAM | CAB | H3 | 177.4° | 59.8° |
| CAN | CAM | CAB | H4 | 58.0° | 60.2° |
| CAN | CAM | CAO | H5 | 178.8° | 179.8° |
| CAM | CAN | CAL | H10 | 0.7° | 0.5° |
| CAN | CAL | N | H10 | 180.0° | 180.0° |
| CAN | CAL | N | CA | 171.0° | 180.0° |
| CAL | CAN | CAM | CAB | 3.2° | 0.2° |
| O | C | CA | N | 166.3° | 154.7° |
| O | C | CA | CB | 39.0° | 85.3° |
| O | C | CA | H11 | 77.9° | 34.6° |
| C | CA | N | CAL | 176.0° | 120.0° |
| C | CA | N | CB | 125.5° | 120.0° |
| C | CA | N | H11 | 115.3° | 120.1° |
| C | CA | CB | H11 | 117.1° | 120.0° |
| C | CA | CB | OG | 42.5° | 60.8° |
| C | CA | CB | CG | 77.9° | 179.1° |
| CA | C | O | H12 | 178.2° | 175.1° |
| C | CA | CB | H13 | 162.5° | 59.2° |
| CAL | N | CA | CB | 58.5° | 120.0° |
| CAL | N | CA | H11 | 60.7° | 0.1° |
| N | CA | CB | H11 | 119.6° | 120.0° |
| N | CA | CB | OG | 80.8° | 179.2° |
| N | CA | CB | CG | 158.8° | 59.1° |
| CA | N | CAL | H10 | 9.0° | 0.1° |
| N | CA | CB | H13 | 39.1° | 60.8° |
| CAM | CAB | OAC | H3 | 120.3° | 119.9° |
| CAM | CAB | OAC | H4 | 120.3° | 120.0° |
| CAM | CAB | OAC | PAP | 115.1° | 180.0° |
| CAM | CAB | H3 | H4 | 119.0° | 120.0° |
| CAB | CAM | CAO | H5 | 0.4° | 0.0° |
| CA | CB | OG | CG | 123.2° | 120.1° |
| CA | CB | OG | H13 | 119.0° | 120.0° |
| CA | CB | CG | H13 | 119.7° | 120.0° |
| CA | CB | CG | CD1 | 40.1° | 64.6° |
| CA | CB | CG | CD2 | 162.1° | 175.4° |
| CA | CB | OG | H14 | 180.0° | 60.0° |
| CA | CB | CG | H15 | 80.0° | 55.4° |
| OG | CB | CG | H13 | 119.0° | 120.0° |
| OG | CB | CG | CD1 | 161.4° | 55.4° |
| OG | CB | CG | CD2 | 76.6° | 64.6° |
| OG | CB | CA | H11 | 159.6° | 59.2° |
| OG | CB | CG | H15 | 41.3° | 175.4° |
| CAB | OAC | PAP | OAQ | 77.6° | 54.9° |
| CAB | OAC | PAP | OAD | 167.8° | 175.0° |
| CAB | OAC | PAP | OAE | 52.6° | 65.1° |
| OAC | CAB | H3 | H4 | 119.1° | 120.0° |
| OAQ | PAP | OAC | OAD | 114.5° | 120.0° |
| OAQ | PAP | OAC | OAE | 130.2° | 120.0° |
| OAQ | PAP | OAD | OAE | 131.6° | 120.0° |
| OAQ | PAP | OAD | H1 | 0.0° | 60.0° |
| OAQ | PAP | OAE | H2 | 0.0° | 180.0° |
| CB | CG | CD1 | CD2 | 122.5° | 120.0° |
| CB | CG | CD1 | H15 | 120.0° | 120.0° |
| CB | CG | CD2 | H15 | 117.7° | 120.0° |
| CG | CB | CA | H11 | 39.2° | 60.9° |
| CG | CB | OG | H14 | 56.8° | 60.1° |
| CB | CG | CD2 | H16 | 180.0° | 60.0° |
| CB | CG | CD2 | H17 | 60.0° | 180.0° |
| CB | CG | CD2 | H18 | 60.0° | 60.0° |
| CB | CG | CD1 | H19 | 180.0° | 59.8° |
| CB | CG | CD1 | H20 | 60.0° | 179.7° |
| CB | CG | CD1 | H21 | 60.0° | 60.3° |
| OAC | PAP | OAD | OAE | 115.3° | 120.0° |
| OAC | PAP | OAD | H1 | 113.1° | 180.0° |
| OAC | PAP | OAE | H2 | 123.1° | 60.0° |
| PAP | OAC | CAB | H3 | 5.2° | 60.1° |
| PAP | OAC | CAB | H4 | 124.6° | 59.9° |
| OAD | PAP | OAE | H2 | 125.7° | 60.0° |
| OAE | PAP | OAD | H1 | 131.6° | 60.0° |
| CD1 | CG | CD2 | H15 | 117.4° | 120.0° |
| CD1 | CG | CB | H13 | 79.6° | 175.4° |
| CD1 | CG | CD2 | H16 | 55.2° | 60.0° |
| CD1 | CG | CD2 | H17 | 64.9° | 60.0° |
| CD1 | CG | CD2 | H18 | 175.1° | 180.0° |
| CG | CD1 | H19 | H20 | 120.0° | 120.0° |
| CG | CD1 | H19 | H21 | 120.0° | 120.0° |
| CG | CD1 | H20 | H21 | 120.0° | 120.0° |
| CD2 | CG | CB | H13 | 42.4° | 55.4° |
| CG | CD2 | H16 | H17 | 120.0° | 120.0° |
| CG | CD2 | H16 | H18 | 120.0° | 120.0° |
| CG | CD2 | H17 | H18 | 120.0° | 120.0° |
| CD2 | CG | CD1 | H19 | 57.5° | 179.8° |
| CD2 | CG | CD1 | H20 | 177.5° | 60.3° |
| CD2 | CG | CD1 | H21 | 62.5° | 59.8° |
| H6 | CAA | H7 | H8 | 120.0° | 120.0° |
| H11 | CA | CB | H13 | 80.5° | 179.2° |
| H13 | CB | OG | H14 | 61.0° | 180.0° |
| H13 | CB | CG | H15 | 160.3° | 64.6° |
| H15 | CG | CD2 | H16 | 62.3° | 180.0° |
| H15 | CG | CD2 | H17 | 177.7° | 60.0° |
| H15 | CG | CD2 | H18 | 57.7° | 60.0° |
| H15 | CG | CD1 | H19 | 60.0° | 60.2° |
| H15 | CG | CD1 | H20 | 60.0° | 59.8° |
| H15 | CG | CD1 | H21 | 180.0° | 179.8° |
| H16 | CD2 | H17 | H18 | 120.0° | 120.0° |
| H19 | CD1 | H20 | H21 | 119.9° | 120.0° |
