5SJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C | CA | sing | 1.51Å | 1.40Å | |
| C | NAI | sing | 1.35Å | 1.41Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| NAI | CAP | sing | 1.40Å | 1.40Å | |
| N | CAO | sing | 1.40Å | 1.40Å | |
| CAP | CAO | doub | 1.40Å | 1.39Å | Aromatic |
| CAP | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAN | doub | 1.40Å | 1.39Å | Aromatic |
| CAF | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAN | CAL | sing | 1.47Å | 1.39Å | |
| OAC | CAL | doub | 1.21Å | 1.23Å | |
| CAL | OAK | sing | 1.35Å | 1.36Å | |
| OAK | CAH | sing | 1.45Å | 1.43Å | |
| CAH | CAA | sing | 1.53Å | 1.53Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.08Å | 1.08Å | |
| NAI | H7 | sing | 0.97Å | 1.00Å | |
| CA | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| CB | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| CAF | H13 | sing | 1.08Å | 1.08Å | |
| CAE | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 119.6° | 119.7° |
| O | C | NAI | 119.0° | 119.7° |
| CB | CA | C | 108.8° | 109.5° |
| CB | CA | N | 109.2° | 109.5° |
| CB | CA | H8 | 107.8° | 109.6° |
| CA | CB | H9 | 109.5° | 109.5° |
| CA | CB | H10 | 109.5° | 109.5° |
| CA | CB | H11 | 109.5° | 109.5° |
| CA | C | NAI | 121.3° | 120.7° |
| C | CA | N | 113.3° | 109.1° |
| C | CA | H8 | 109.4° | 109.5° |
| C | NAI | CAP | 120.9° | 120.6° |
| C | NAI | H7 | 119.5° | 119.7° |
| CA | N | CAO | 119.7° | 117.9° |
| N | CA | H8 | 108.3° | 109.6° |
| CA | N | H12 | 106.9° | 121.1° |
| NAI | CAP | CAO | 118.9° | 119.5° |
| NAI | CAP | CAG | 120.9° | 120.7° |
| CAP | NAI | H7 | 119.5° | 119.7° |
| N | CAO | CAP | 119.7° | 118.7° |
| N | CAO | CAF | 120.1° | 120.9° |
| CAO | N | H12 | 106.8° | 121.0° |
| CAO | CAP | CAG | 120.2° | 119.8° |
| CAP | CAO | CAF | 120.2° | 120.4° |
| CAP | CAG | CAN | 119.6° | 119.7° |
| CAP | CAG | H6 | 120.2° | 120.2° |
| CAO | CAF | CAE | 119.7° | 119.9° |
| CAO | CAF | H13 | 120.2° | 120.0° |
| CAG | CAN | CAE | 119.9° | 120.1° |
| CAG | CAN | CAL | 121.1° | 120.0° |
| CAN | CAG | H6 | 120.2° | 120.1° |
| CAF | CAE | CAN | 120.4° | 120.0° |
| CAE | CAF | H13 | 120.2° | 120.1° |
| CAF | CAE | H14 | 119.8° | 119.9° |
| CAE | CAN | CAL | 119.0° | 120.0° |
| CAN | CAE | H14 | 119.8° | 120.0° |
| CAN | CAL | OAC | 121.1° | 120.0° |
| CAN | CAL | OAK | 114.7° | 120.0° |
| OAC | CAL | OAK | 124.2° | 120.0° |
| CAL | OAK | CAH | 111.8° | 117.0° |
| OAK | CAH | CAA | 109.8° | 109.4° |
| OAK | CAH | H4 | 109.4° | 109.5° |
| OAK | CAH | H5 | 109.4° | 109.5° |
| CAH | CAA | H1 | 109.5° | 109.5° |
| CAH | CAA | H2 | 109.5° | 109.5° |
| CAH | CAA | H3 | 109.5° | 109.5° |
| CAA | CAH | H4 | 109.4° | 109.4° |
| CAA | CAH | H5 | 109.4° | 109.4° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.4° | 109.4° |
| H4 | CAH | H5 | 109.4° | 109.5° |
| H9 | CB | H10 | 109.5° | 109.5° |
| H9 | CB | H11 | 109.5° | 109.4° |
| H10 | CB | H11 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | CB | 77.8° | 89.2° |
| O | C | CA | NAI | 178.3° | 179.9° |
| O | C | CA | N | 160.5° | 150.9° |
| O | C | NAI | CAP | 178.9° | 177.7° |
| O | C | NAI | H7 | 1.1° | 2.2° |
| O | C | CA | H8 | 39.7° | 31.0° |
| CB | CA | C | N | 121.6° | 119.9° |
| CB | CA | C | H8 | 117.5° | 120.2° |
| CB | CA | C | NAI | 100.5° | 90.7° |
| CB | CA | N | H8 | 117.1° | 120.2° |
| CB | CA | N | CAO | 91.9° | 77.7° |
| CA | CB | H9 | H10 | 120.0° | 120.1° |
| CA | CB | H9 | H11 | 120.0° | 120.0° |
| CA | CB | H10 | H11 | 120.0° | 120.0° |
| CB | CA | N | H12 | 146.7° | 102.5° |
| C | CA | N | H8 | 121.5° | 119.9° |
| CA | C | NAI | CAP | 2.7° | 2.4° |
| C | CA | N | CAO | 29.5° | 42.2° |
| CA | C | NAI | H7 | 177.3° | 177.7° |
| C | CA | CB | H9 | 180.0° | 60.0° |
| C | CA | CB | H10 | 60.0° | 180.0° |
| C | CA | CB | H11 | 60.0° | 60.0° |
| C | CA | N | H12 | 91.9° | 137.6° |
| NAI | C | CA | N | 21.1° | 29.1° |
| C | NAI | CAP | H7 | 180.0° | 179.9° |
| C | NAI | CAP | CAO | 9.4° | 14.2° |
| C | NAI | CAP | CAG | 171.6° | 166.0° |
| NAI | C | CA | H8 | 142.0° | 149.1° |
| CA | N | CAO | H12 | 121.4° | 179.9° |
| CA | N | CAO | CAP | 19.2° | 29.4° |
| CA | N | CAO | CAF | 160.3° | 150.5° |
| N | CA | CB | H9 | 55.9° | 59.6° |
| N | CA | CB | H10 | 175.9° | 60.4° |
| N | CA | CB | H11 | 64.1° | 179.6° |
| NAI | CAP | CAO | N | 0.7° | 0.6° |
| NAI | CAP | CAO | CAG | 179.0° | 179.8° |
| NAI | CAP | CAO | CAF | 179.7° | 179.5° |
| NAI | CAP | CAG | CAN | 179.9° | 179.6° |
| NAI | CAP | CAG | H6 | 0.1° | 0.3° |
| N | CAO | CAP | CAF | 179.5° | 179.9° |
| N | CAO | CAP | CAG | 179.8° | 179.6° |
| N | CAO | CAF | CAE | 179.6° | 179.7° |
| CAO | N | CA | H8 | 151.0° | 162.1° |
| N | CAO | CAF | H13 | 0.4° | 0.3° |
| CAO | CAP | CAG | CAN | 0.9° | 0.2° |
| CAP | CAO | CAF | CAE | 0.1° | 0.2° |
| CAO | CAP | CAG | H6 | 179.1° | 179.9° |
| CAO | CAP | NAI | H7 | 170.6° | 165.6° |
| CAP | CAO | N | H12 | 102.2° | 150.5° |
| CAP | CAO | CAF | H13 | 179.9° | 179.9° |
| CAG | CAP | CAO | CAF | 0.7° | 0.3° |
| CAP | CAG | CAN | H6 | 180.0° | 179.9° |
| CAP | CAG | CAN | CAE | 0.5° | 0.1° |
| CAP | CAG | CAN | CAL | 179.7° | 179.8° |
| CAG | CAP | NAI | H7 | 8.4° | 14.2° |
| CAO | CAF | CAE | H13 | 180.0° | 180.0° |
| CAO | CAF | CAE | CAN | 0.3° | 0.0° |
| CAF | CAO | N | H12 | 78.2° | 29.7° |
| CAO | CAF | CAE | H14 | 179.7° | 179.7° |
| CAG | CAN | CAE | CAF | 0.1° | 0.1° |
| CAG | CAN | CAE | CAL | 179.9° | 179.7° |
| CAG | CAN | CAL | OAC | 15.1° | 0.3° |
| CAG | CAN | CAL | OAK | 164.1° | 179.7° |
| CAG | CAN | CAE | H14 | 179.8° | 179.7° |
| CAF | CAE | CAN | H14 | 180.0° | 179.7° |
| CAF | CAE | CAN | CAL | 179.7° | 179.6° |
| CAE | CAN | CAL | OAC | 164.7° | 180.0° |
| CAE | CAN | CAL | OAK | 16.0° | 0.0° |
| CAE | CAN | CAG | H6 | 179.5° | 180.0° |
| CAN | CAE | CAF | H13 | 179.7° | 180.0° |
| CAN | CAL | OAC | OAK | 179.1° | 180.0° |
| CAN | CAL | OAK | CAH | 139.5° | 180.0° |
| CAL | CAN | CAG | H6 | 0.4° | 0.3° |
| CAL | CAN | CAE | H14 | 0.3° | 0.0° |
| OAC | CAL | OAK | CAH | 41.3° | 0.0° |
| CAL | OAK | CAH | CAA | 146.5° | 180.0° |
| CAL | OAK | CAH | H4 | 93.4° | 60.1° |
| CAL | OAK | CAH | H5 | 26.5° | 60.0° |
| OAK | CAH | CAA | H4 | 120.1° | 120.0° |
| OAK | CAH | CAA | H5 | 120.1° | 120.0° |
| OAK | CAH | CAA | H1 | 180.0° | 60.0° |
| OAK | CAH | CAA | H2 | 60.0° | 60.0° |
| OAK | CAH | CAA | H3 | 60.0° | 179.9° |
| OAK | CAH | H4 | H5 | 119.9° | 120.1° |
| CAH | CAA | H1 | H2 | 120.0° | 120.1° |
| CAH | CAA | H1 | H3 | 120.0° | 120.1° |
| CAH | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAH | H4 | H5 | 119.9° | 120.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAH | H4 | 59.9° | 60.0° |
| H1 | CAA | CAH | H5 | 60.0° | 180.0° |
| H2 | CAA | CAH | H4 | 179.9° | 180.0° |
| H2 | CAA | CAH | H5 | 60.1° | 60.0° |
| H3 | CAA | CAH | H4 | 60.1° | 60.1° |
| H3 | CAA | CAH | H5 | 180.0° | 59.9° |
| H8 | CA | CB | H9 | 61.5° | 179.8° |
| H8 | CA | CB | H10 | 58.6° | 59.8° |
| H8 | CA | CB | H11 | 178.5° | 60.2° |
| H8 | CA | N | H12 | 29.6° | 17.7° |
| H9 | CB | H10 | H11 | 120.0° | 119.9° |
| H13 | CAF | CAE | H14 | 0.3° | 0.3° |
