5NJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OE | CD | doub | 1.21Å | 1.49Å | |
| OA | CA | doub | 1.21Å | 1.26Å | |
| CB | CA | sing | 1.51Å | 1.52Å | |
| CB | CG | sing | 1.53Å | 1.53Å | |
| CA | OB | sing | 1.34Å | 1.25Å | |
| CD | CG | sing | 1.51Å | 1.35Å | |
| CD | CF | sing | 1.51Å | 1.37Å | |
| O3 | C3 | sing | 1.36Å | 1.36Å | |
| CF | C4A | sing | 1.53Å | 1.29Å | |
| C4A | C4 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C2A | C2 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| O3P | P | doub | 1.48Å | 1.49Å | |
| C5 | C5A | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| O4P | C5A | sing | 1.43Å | 1.41Å | |
| O4P | P | sing | 1.61Å | 1.61Å | |
| P | O1P | sing | 1.61Å | 1.51Å | |
| P | O2P | sing | 1.61Å | 1.52Å | |
| OB | H1 | sing | 0.97Å | 0.95Å | |
| CB | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CG | H4 | sing | 1.09Å | 1.10Å | |
| CF | H6 | sing | 1.09Å | 1.10Å | |
| C4A | H7 | sing | 1.09Å | 1.10Å | |
| O3 | H8 | sing | 0.97Å | 0.95Å | |
| C2A | H9 | sing | 1.09Å | 1.10Å | |
| C2A | H10 | sing | 1.09Å | 1.10Å | |
| C2A | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| C5A | H13 | sing | 1.09Å | 1.10Å | |
| C5A | H14 | sing | 1.09Å | 1.10Å | |
| O1P | H15 | sing | 0.97Å | 0.95Å | |
| O2P | H16 | sing | 0.97Å | 0.95Å | |
| CG | H17 | sing | 1.09Å | 1.10Å | |
| CF | H5 | sing | 1.09Å | 1.10Å | |
| C4A | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE | CD | CG | 115.3° | 120.0° |
| OE | CD | CF | 118.8° | 120.0° |
| OA | CA | CB | 117.2° | 120.0° |
| OA | CA | OB | 122.0° | 120.0° |
| CA | CB | CG | 116.7° | 109.5° |
| CB | CA | OB | 120.8° | 120.0° |
| CA | CB | H2 | 107.6° | 109.5° |
| CA | CB | H3 | 107.6° | 109.5° |
| CB | CG | CD | 116.5° | 109.5° |
| CG | CB | H2 | 107.6° | 109.5° |
| CG | CB | H3 | 107.6° | 109.4° |
| CB | CG | H4 | 107.7° | 109.5° |
| CB | CG | H17 | 107.7° | 109.5° |
| CA | OB | H1 | 109.5° | 117.0° |
| CG | CD | CF | 125.8° | 120.1° |
| CD | CG | H4 | 107.7° | 109.5° |
| CD | CG | H17 | 107.7° | 109.4° |
| CD | CF | C4A | 122.1° | 109.5° |
| CD | CF | H6 | 106.2° | 109.5° |
| CD | CF | H5 | 106.2° | 109.4° |
| O3 | C3 | C4 | 120.6° | 120.5° |
| O3 | C3 | C2 | 118.7° | 120.5° |
| C3 | O3 | H8 | 109.5° | 114.0° |
| CF | C4A | C4 | 116.9° | 109.5° |
| C4A | CF | H6 | 106.2° | 109.5° |
| CF | C4A | H7 | 107.6° | 109.5° |
| C4A | CF | H5 | 106.2° | 109.4° |
| CF | C4A | H18 | 107.6° | 109.5° |
| C4A | C4 | C3 | 119.8° | 120.8° |
| C4A | C4 | C5 | 124.1° | 120.9° |
| C4 | C4A | H7 | 107.6° | 109.4° |
| C4 | C4A | H18 | 107.5° | 109.5° |
| C4 | C3 | C2 | 120.7° | 119.1° |
| C3 | C4 | C5 | 116.0° | 118.4° |
| C3 | C2 | C2A | 117.9° | 119.7° |
| C3 | C2 | N1 | 121.3° | 120.7° |
| C2A | C2 | N1 | 120.8° | 119.6° |
| C2 | C2A | H9 | 109.5° | 109.5° |
| C2 | C2A | H10 | 109.5° | 109.5° |
| C2 | C2A | H11 | 109.5° | 109.5° |
| C4 | C5 | C5A | 122.8° | 120.4° |
| C4 | C5 | C6 | 121.6° | 119.3° |
| C2 | N1 | C6 | 120.4° | 121.8° |
| O3P | P | O4P | 108.1° | 109.4° |
| O3P | P | O1P | 120.4° | 109.5° |
| O3P | P | O2P | 112.8° | 109.4° |
| C5A | C5 | C6 | 115.7° | 120.4° |
| C5 | C5A | O4P | 111.5° | 109.5° |
| C5 | C5A | H13 | 108.9° | 109.5° |
| C5 | C5A | H14 | 108.9° | 109.5° |
| C5 | C6 | N1 | 119.9° | 120.9° |
| C5 | C6 | H12 | 120.0° | 119.6° |
| N1 | C6 | H12 | 120.1° | 119.6° |
| C5A | O4P | P | 117.6° | 123.0° |
| O4P | C5A | H13 | 109.0° | 109.4° |
| O4P | C5A | H14 | 109.0° | 109.4° |
| O4P | P | O1P | 101.1° | 109.5° |
| O4P | P | O2P | 105.8° | 109.5° |
| O1P | P | O2P | 107.1° | 109.5° |
| P | O1P | H15 | 109.5° | 114.0° |
| P | O2P | H16 | 109.5° | 113.9° |
| H2 | CB | H3 | 109.4° | 109.5° |
| H4 | CG | H17 | 109.5° | 109.4° |
| H6 | CF | H5 | 109.4° | 109.5° |
| H7 | C4A | H18 | 109.5° | 109.5° |
| H9 | C2A | H10 | 109.5° | 109.4° |
| H9 | C2A | H11 | 109.5° | 109.5° |
| H10 | C2A | H11 | 109.5° | 109.4° |
| H13 | C5A | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE | CD | CG | CB | 5.6° | 0.0° |
| OE | CD | CG | CF | 177.6° | 179.9° |
| OE | CD | CF | C4A | 90.4° | 0.1° |
| OE | CD | CG | H4 | 115.4° | 120.0° |
| OE | CD | CF | H6 | 31.4° | 120.0° |
| OE | CD | CG | H17 | 126.6° | 120.1° |
| OE | CD | CF | H5 | 147.9° | 120.0° |
| OA | CA | CB | OB | 179.3° | 179.7° |
| OA | CA | CB | CG | 176.8° | 0.0° |
| OA | CA | OB | H1 | 0.0° | 0.0° |
| OA | CA | CB | H2 | 55.7° | 120.1° |
| OA | CA | CB | H3 | 62.2° | 120.0° |
| CA | CB | CG | H2 | 121.1° | 120.0° |
| CA | CB | CG | H3 | 121.1° | 120.0° |
| CA | CB | CG | CD | 163.8° | 180.0° |
| CB | CA | OB | H1 | 179.3° | 179.7° |
| CA | CB | H2 | H3 | 116.7° | 120.0° |
| CA | CB | CG | H4 | 75.2° | 60.0° |
| CA | CB | CG | H17 | 42.8° | 60.0° |
| CG | CB | CA | OB | 3.9° | 179.7° |
| CB | CG | CD | H4 | 121.0° | 120.0° |
| CB | CG | CD | H17 | 121.0° | 120.0° |
| CB | CG | CD | CF | 172.0° | 180.0° |
| CG | CB | H2 | H3 | 116.7° | 120.0° |
| CB | CG | H4 | H17 | 116.8° | 120.0° |
| OB | CA | CB | H2 | 125.0° | 60.3° |
| OB | CA | CB | H3 | 117.2° | 59.7° |
| CG | CD | CF | C4A | 87.2° | 180.0° |
| CD | CG | CB | H2 | 42.7° | 60.0° |
| CD | CG | CB | H3 | 75.2° | 60.0° |
| CD | CG | H4 | H17 | 116.8° | 119.9° |
| CG | CD | CF | H6 | 151.1° | 59.9° |
| CG | CD | CF | H5 | 34.6° | 60.1° |
| CD | CF | C4A | H6 | 121.8° | 120.1° |
| CD | CF | C4A | H5 | 121.8° | 119.9° |
| CD | CF | C4A | C4 | 172.8° | 179.9° |
| CF | CD | CG | H4 | 67.0° | 59.9° |
| CD | CF | H6 | H5 | 114.3° | 120.0° |
| CD | CF | C4A | H7 | 51.7° | 60.0° |
| CF | CD | CG | H17 | 51.0° | 60.0° |
| CD | CF | C4A | H18 | 66.1° | 60.0° |
| O3 | C3 | C4 | C4A | 0.6° | 0.0° |
| O3 | C3 | C4 | C2 | 178.4° | 179.9° |
| O3 | C3 | C2 | C2A | 0.4° | 0.0° |
| O3 | C3 | C4 | C5 | 178.6° | 179.7° |
| O3 | C3 | C2 | N1 | 178.9° | 179.9° |
| CF | C4A | C4 | H7 | 121.1° | 120.0° |
| CF | C4A | C4 | H18 | 121.1° | 120.0° |
| CF | C4A | C4 | C3 | 55.5° | 89.7° |
| CF | C4A | C4 | C5 | 122.3° | 90.0° |
| C4A | CF | H6 | H5 | 114.3° | 120.0° |
| CF | C4A | H7 | H18 | 116.6° | 120.0° |
| C4A | C4 | C3 | C5 | 177.9° | 179.7° |
| C4A | C4 | C3 | C2 | 179.0° | 180.0° |
| C4A | C4 | C5 | C5A | 0.6° | 0.0° |
| C4A | C4 | C5 | C6 | 179.2° | 179.7° |
| C4 | C4A | CF | H6 | 65.5° | 60.0° |
| C4 | C4A | H7 | H18 | 116.6° | 120.0° |
| C4 | C4A | CF | H5 | 51.0° | 60.0° |
| C4 | C3 | C2 | C2A | 178.0° | 180.0° |
| C4 | C3 | C2 | N1 | 0.5° | 0.0° |
| C3 | C4 | C5 | C5A | 178.4° | 179.7° |
| C3 | C4 | C5 | C6 | 3.0° | 0.6° |
| C3 | C4 | C4A | H7 | 176.6° | 150.3° |
| C4 | C3 | O3 | H8 | 180.0° | 90.0° |
| C3 | C4 | C4A | H18 | 65.6° | 30.3° |
| C3 | C2 | C2A | N1 | 178.5° | 180.0° |
| C2 | C3 | C4 | C5 | 3.1° | 0.3° |
| C3 | C2 | N1 | C6 | 2.5° | 0.0° |
| C2 | C3 | O3 | H8 | 1.6° | 90.0° |
| C3 | C2 | C2A | H9 | 178.4° | 90.0° |
| C3 | C2 | C2A | H10 | 58.5° | 150.0° |
| C3 | C2 | C2A | H11 | 61.5° | 30.0° |
| C2A | C2 | N1 | C6 | 179.1° | 180.0° |
| C2 | C2A | H9 | H10 | 120.0° | 120.0° |
| C2 | C2A | H9 | H11 | 120.0° | 120.0° |
| C2 | C2A | H10 | H11 | 120.0° | 120.0° |
| C4 | C5 | C5A | C6 | 178.7° | 179.7° |
| C4 | C5 | C6 | N1 | 0.2° | 0.6° |
| C4 | C5 | C5A | O4P | 73.3° | 180.0° |
| C5 | C4 | C4A | H7 | 1.2° | 30.0° |
| C4 | C5 | C6 | H12 | 179.8° | 179.7° |
| C4 | C5 | C5A | H13 | 166.4° | 60.1° |
| C4 | C5 | C5A | H14 | 47.0° | 60.0° |
| C5 | C4 | C4A | H18 | 116.6° | 150.0° |
| C2 | N1 | C6 | C5 | 2.6° | 0.3° |
| N1 | C2 | C2A | H9 | 0.0° | 89.9° |
| N1 | C2 | C2A | H10 | 120.0° | 30.1° |
| N1 | C2 | C2A | H11 | 120.0° | 150.0° |
| C2 | N1 | C6 | H12 | 177.4° | 180.0° |
| O3P | P | O4P | C5A | 61.4° | 55.0° |
| O3P | P | O4P | O1P | 127.4° | 120.0° |
| O3P | P | O4P | O2P | 121.1° | 119.9° |
| O3P | P | O1P | O2P | 130.6° | 120.0° |
| O3P | P | O1P | H15 | 0.0° | 60.0° |
| O3P | P | O2P | H16 | 0.0° | 180.0° |
| C5A | C5 | C6 | N1 | 178.9° | 179.7° |
| C5 | C5A | O4P | H13 | 120.3° | 120.0° |
| C5 | C5A | O4P | H14 | 120.3° | 120.0° |
| C5 | C5A | O4P | P | 158.2° | 180.0° |
| C5A | C5 | C6 | H12 | 1.0° | 0.0° |
| C5 | C5A | H13 | H14 | 119.0° | 120.1° |
| C5 | C6 | N1 | H12 | 180.0° | 179.7° |
| C6 | C5 | C5A | O4P | 105.4° | 0.3° |
| C6 | C5 | C5A | H13 | 14.9° | 120.2° |
| C6 | C5 | C5A | H14 | 134.3° | 119.7° |
| C5A | O4P | P | O1P | 171.2° | 175.0° |
| C5A | O4P | P | O2P | 59.6° | 64.9° |
| O4P | C5A | H13 | H14 | 119.1° | 119.9° |
| O4P | P | O1P | O2P | 110.6° | 120.0° |
| P | O4P | C5A | H13 | 81.5° | 60.0° |
| P | O4P | C5A | H14 | 37.9° | 60.0° |
| O4P | P | O1P | H15 | 118.9° | 180.0° |
| O4P | P | O2P | H16 | 118.0° | 60.0° |
| O1P | P | O2P | H16 | 134.8° | 60.0° |
| O2P | P | O1P | H15 | 130.6° | 60.0° |
| H2 | CB | CG | H4 | 163.7° | NaN° |
| H2 | CB | CG | H17 | 78.3° | 60.0° |
| H3 | CB | CG | H4 | 45.8° | 60.0° |
| H3 | CB | CG | H17 | 163.8° | 180.0° |
| H6 | CF | C4A | H7 | 173.4° | 180.0° |
| H6 | CF | C4A | H18 | 55.6° | 60.0° |
| H7 | C4A | CF | H5 | 70.1° | 60.0° |
| H9 | C2A | H10 | H11 | 120.0° | 120.0° |
| H5 | CF | C4A | H18 | 172.1° | 180.0° |
