EA5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | sing | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.57Å | |
| P | OP3 | doub | 1.61Å | 1.46Å | |
| P | OP4 | sing | 1.61Å | 1.59Å | |
| OP1 | HOP1 | sing | 3.88Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP4 | C5A | sing | 1.43Å | 1.46Å | |
| C5A | C5 | sing | 1.51Å | 1.53Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | N1 | doub | 1.32Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.54Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| C2A | H2A3 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.36Å | 1.41Å | |
| C3 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C4A | sing | 1.51Å | 1.52Å | |
| C4A | N4A | sing | 1.47Å | 1.36Å | |
| C4A | H4A1 | sing | 1.09Å | 1.10Å | |
| C4A | H4A2 | sing | 1.09Å | 1.10Å | |
| N4A | C | sing | 1.47Å | 1.46Å | |
| N4A | HN4A | sing | 1.01Å | 1.00Å | |
| N4 | CA | sing | 1.47Å | 1.49Å | |
| N4 | HN41 | sing | 1.01Å | 1.00Å | |
| N4 | HN42 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.53Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.53Å | 1.55Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | CD | sing | 1.51Å | 1.53Å | |
| CG | HG1 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | OE1 | doub | 1.34Å | 1.26Å | |
| CD | OE2 | sing | 1.21Å | 1.24Å | |
| OE2 | HOE2 | sing | 7.00Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 112.1° | 109.5° |
| OP1 | P | OP3 | 122.2° | 109.5° |
| OP1 | P | OP4 | 108.7° | 109.5° |
| P | OP1 | HOP1 | 109.5° | 96.5° |
| OP2 | P | OP3 | 94.8° | 109.5° |
| OP2 | P | OP4 | 109.2° | 109.4° |
| P | OP2 | HOP2 | 109.5° | 106.8° |
| OP3 | P | OP4 | 108.9° | 109.5° |
| P | OP4 | C5A | 122.9° | 106.8° |
| OP4 | C5A | C5 | 109.0° | 109.5° |
| OP4 | C5A | H5A1 | 109.7° | 109.5° |
| OP4 | C5A | H5A2 | 109.6° | 109.5° |
| C5 | C5A | H5A1 | 109.7° | 109.5° |
| C5 | C5A | H5A2 | 109.6° | 109.5° |
| C5A | C5 | C6 | 118.0° | 120.4° |
| C5A | C5 | C4 | 121.5° | 120.4° |
| H5A1 | C5A | H5A2 | 109.1° | 109.5° |
| C6 | C5 | C4 | 120.5° | 119.3° |
| C5 | C6 | N1 | 119.2° | 120.8° |
| C5 | C6 | H6 | 120.4° | 119.6° |
| C5 | C4 | C3 | 120.4° | 118.3° |
| C5 | C4 | C4A | 119.2° | 120.8° |
| N1 | C6 | H6 | 120.4° | 119.6° |
| C6 | N1 | C2 | 122.0° | 121.8° |
| N1 | C2 | C2A | 118.7° | 119.7° |
| N1 | C2 | C3 | 119.6° | 120.7° |
| C2A | C2 | C3 | 121.8° | 119.7° |
| C2 | C2A | H2A1 | 109.5° | 109.4° |
| C2 | C2A | H2A2 | 109.4° | 109.5° |
| C2 | C2A | H2A3 | 109.5° | 109.5° |
| C2 | C3 | O3 | 120.6° | 120.5° |
| C2 | C3 | C4 | 118.4° | 119.1° |
| H2A1 | C2A | H2A2 | 109.5° | 109.5° |
| H2A1 | C2A | H2A3 | 109.5° | 109.5° |
| H2A2 | C2A | H2A3 | 109.5° | 109.4° |
| O3 | C3 | C4 | 121.0° | 120.5° |
| C3 | O3 | HO3 | 109.5° | 106.8° |
| C3 | C4 | C4A | 120.4° | 120.8° |
| C4 | C4A | N4A | 123.3° | 109.5° |
| C4 | C4A | H4A1 | 101.9° | 109.5° |
| C4 | C4A | H4A2 | 105.1° | 109.5° |
| N4A | C4A | H4A1 | 101.9° | 109.5° |
| N4A | C4A | H4A2 | 105.1° | 109.5° |
| C4A | N4A | C | 118.8° | 106.7° |
| C4A | N4A | HN4A | 106.5° | 106.7° |
| H4A1 | C4A | H4A2 | 121.0° | 109.5° |
| C | N4A | HN4A | 106.5° | 106.7° |
| N4A | C | CA | 110.8° | 109.4° |
| N4A | C | H1 | 108.7° | 109.4° |
| N4A | C | H2 | 109.0° | 109.5° |
| CA | N4 | HN41 | 109.5° | 106.7° |
| CA | N4 | HN42 | 109.5° | 106.7° |
| N4 | CA | C | 112.3° | 109.5° |
| N4 | CA | CB | 109.9° | 109.5° |
| N4 | CA | HA | 108.5° | 109.5° |
| HN41 | N4 | HN42 | 109.4° | 106.7° |
| C | CA | CB | 112.8° | 109.4° |
| C | CA | HA | 105.3° | 109.5° |
| CA | C | H1 | 108.7° | 109.5° |
| CA | C | H2 | 109.0° | 109.5° |
| CB | CA | HA | 107.8° | 109.5° |
| CA | CB | CG | 118.6° | 109.5° |
| CA | CB | HB1 | 104.4° | 109.5° |
| CA | CB | HB2 | 106.5° | 109.5° |
| H1 | C | H2 | 110.6° | 109.5° |
| CG | CB | HB1 | 104.4° | 109.5° |
| CG | CB | HB2 | 106.5° | 109.4° |
| CB | CG | CD | 114.6° | 109.5° |
| CB | CG | HG1 | 106.6° | 109.5° |
| CB | CG | HG2 | 107.8° | 109.5° |
| HB1 | CB | HB2 | 116.9° | 109.5° |
| CD | CG | HG1 | 106.7° | 109.5° |
| CD | CG | HG2 | 107.8° | 109.4° |
| CG | CD | OE1 | 120.3° | 120.0° |
| CG | CD | OE2 | 117.8° | 120.0° |
| HG1 | CG | HG2 | 113.5° | 109.5° |
| OE1 | CD | OE2 | 121.9° | 120.0° |
| CD | OE2 | HOE2 | 109.5° | 77.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | OP3 | 127.6° | 120.1° |
| OP1 | P | OP2 | OP4 | 120.5° | 119.9° |
| OP1 | P | OP3 | OP4 | 127.9° | 120.0° |
| OP1 | P | OP2 | HOP2 | 174.6° | 180.0° |
| OP1 | P | OP4 | C5A | 178.6° | 55.0° |
| OP2 | P | OP3 | OP4 | 112.2° | 120.0° |
| OP2 | P | OP1 | HOP1 | 27.8° | 85.8° |
| OP2 | P | OP4 | C5A | 56.0° | 65.0° |
| OP3 | P | OP1 | HOP1 | 83.5° | 154.2° |
| OP3 | P | OP2 | HOP2 | 47.0° | 59.9° |
| OP3 | P | OP4 | C5A | 46.3° | 175.0° |
| OP4 | P | OP1 | HOP1 | 148.5° | 34.2° |
| OP4 | P | OP2 | HOP2 | 64.9° | 60.1° |
| P | OP4 | C5A | C5 | 149.5° | 180.0° |
| P | OP4 | C5A | H5A1 | 90.3° | 60.0° |
| P | OP4 | C5A | H5A2 | 29.5° | 60.0° |
| OP4 | C5A | C5 | H5A1 | 120.2° | 120.0° |
| OP4 | C5A | C5 | H5A2 | 120.0° | 120.0° |
| OP4 | C5A | H5A1 | H5A2 | 120.1° | 120.0° |
| OP4 | C5A | C5 | C6 | 101.4° | 0.0° |
| OP4 | C5A | C5 | C4 | 78.8° | 180.0° |
| C5 | C5A | H5A1 | H5A2 | 120.1° | 120.0° |
| C5A | C5 | C6 | C4 | 179.8° | 180.0° |
| C5A | C5 | C6 | N1 | 179.8° | 180.0° |
| C5A | C5 | C6 | H6 | 0.2° | 0.1° |
| C5A | C5 | C4 | C3 | 179.8° | 179.7° |
| C5A | C5 | C4 | C4A | 0.0° | 0.0° |
| H5A1 | C5A | C5 | C6 | 18.8° | 120.0° |
| H5A1 | C5A | C5 | C4 | 161.0° | 60.0° |
| H5A2 | C5A | C5 | C6 | 138.6° | 120.0° |
| H5A2 | C5A | C5 | C4 | 41.2° | 60.0° |
| C5 | C6 | N1 | H6 | 180.0° | 179.9° |
| C5 | C6 | N1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.3° |
| C6 | C5 | C4 | C4A | 179.8° | 180.0° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.0° | 0.5° |
| C5 | C4 | C3 | O3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C4A | 179.9° | 179.7° |
| C5 | C4 | C4A | N4A | 179.7° | 90.0° |
| C5 | C4 | C4A | H4A1 | 66.8° | 150.0° |
| C5 | C4 | C4A | H4A2 | 60.3° | 30.0° |
| C6 | N1 | C2 | C2A | 180.0° | 180.0° |
| C6 | N1 | C2 | C3 | 0.1° | 0.3° |
| H6 | C6 | N1 | C2 | 179.9° | 180.0° |
| N1 | C2 | C2A | C3 | 179.9° | 179.7° |
| N1 | C2 | C2A | H2A1 | 42.3° | 90.0° |
| N1 | C2 | C2A | H2A2 | 162.3° | 150.0° |
| N1 | C2 | C2A | H2A3 | 77.7° | 30.0° |
| N1 | C2 | C3 | O3 | 179.9° | 179.9° |
| N1 | C2 | C3 | C4 | 0.1° | 0.6° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| C2A | C2 | C3 | O3 | 0.1° | 0.2° |
| C2A | C2 | C3 | C4 | 179.9° | 179.7° |
| C3 | C2 | C2A | H2A1 | 137.5° | 90.3° |
| C3 | C2 | C2A | H2A2 | 17.5° | 29.7° |
| C3 | C2 | C2A | H2A3 | 102.5° | 149.7° |
| C2 | C3 | O3 | C4 | 180.0° | 179.5° |
| C2 | C3 | O3 | HO3 | 147.0° | 90.5° |
| C2 | C3 | C4 | C4A | 179.8° | 179.7° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| O3 | C3 | C4 | C4A | 0.2° | 0.2° |
| C4 | C3 | O3 | HO3 | 33.0° | 90.0° |
| C3 | C4 | C4A | N4A | 0.2° | 89.7° |
| C3 | C4 | C4A | H4A1 | 113.1° | 30.3° |
| C3 | C4 | C4A | H4A2 | 119.8° | 150.3° |
| C4 | C4A | N4A | H4A1 | 112.9° | 120.0° |
| C4 | C4A | N4A | H4A2 | 120.0° | 120.0° |
| C4 | C4A | H4A1 | H4A2 | 115.9° | 120.0° |
| C4 | C4A | N4A | C | 179.6° | 180.0° |
| C4 | C4A | N4A | HN4A | 60.4° | 66.3° |
| N4A | C4A | H4A1 | H4A2 | 116.0° | 120.0° |
| C4A | N4A | C | HN4A | 120.0° | 113.7° |
| C4A | N4A | C | CA | 140.6° | 180.0° |
| C4A | N4A | C | H1 | 21.1° | 60.0° |
| C4A | N4A | C | H2 | 99.5° | 60.0° |
| H4A1 | C4A | N4A | C | 67.5° | 60.0° |
| H4A1 | C4A | N4A | HN4A | 52.5° | 173.7° |
| H4A2 | C4A | N4A | C | 59.6° | 60.0° |
| H4A2 | C4A | N4A | HN4A | 179.6° | 53.7° |
| N4A | C | CA | N4 | 87.8° | 55.0° |
| N4A | C | CA | H1 | 119.4° | 119.9° |
| N4A | C | CA | H2 | 120.0° | 120.0° |
| N4A | C | CA | CB | 147.3° | 175.0° |
| N4A | C | CA | HA | 30.0° | 65.0° |
| N4A | C | H1 | H2 | 119.7° | 120.0° |
| HN4A | N4A | C | CA | 20.6° | 66.3° |
| HN4A | N4A | C | H1 | 98.9° | 173.7° |
| HN4A | N4A | C | H2 | 140.5° | 53.7° |
| CA | N4 | HN41 | HN42 | 120.1° | 113.8° |
| N4 | CA | C | CB | 124.9° | 120.0° |
| N4 | CA | C | HA | 117.8° | 120.0° |
| N4 | CA | CB | HA | 118.0° | 120.0° |
| N4 | CA | C | H1 | 152.8° | 65.0° |
| N4 | CA | C | H2 | 32.2° | 175.0° |
| N4 | CA | CB | CG | 102.9° | 65.0° |
| N4 | CA | CB | HB1 | 12.8° | 55.0° |
| N4 | CA | CB | HB2 | 137.1° | 175.1° |
| HN41 | N4 | CA | C | 143.5° | 53.8° |
| HN41 | N4 | CA | CB | 17.0° | 173.8° |
| HN41 | N4 | CA | HA | 100.6° | 66.2° |
| HN42 | N4 | CA | C | 23.5° | 60.0° |
| HN42 | N4 | CA | CB | 103.0° | 60.0° |
| HN42 | N4 | CA | HA | 139.4° | 180.0° |
| C | CA | CB | HA | 115.8° | 120.0° |
| CA | C | H1 | H2 | 119.6° | 120.1° |
| C | CA | CB | CG | 23.3° | 175.0° |
| C | CA | CB | HB1 | 138.9° | 65.0° |
| C | CA | CB | HB2 | 96.7° | 55.1° |
| CB | CA | C | H1 | 27.9° | 55.0° |
| CB | CA | C | H2 | 92.6° | 65.0° |
| CA | CB | CG | HB1 | 115.7° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB2 | 117.4° | 120.1° |
| CA | CB | CG | CD | 104.0° | 180.0° |
| CA | CB | CG | HG1 | 13.7° | 60.0° |
| CA | CB | CG | HG2 | 136.0° | 60.0° |
| HA | CA | C | H1 | 89.4° | 175.0° |
| HA | CA | C | H2 | 150.0° | 55.0° |
| HA | CA | CB | CG | 139.1° | 55.0° |
| HA | CA | CB | HB1 | 105.3° | 175.0° |
| HA | CA | CB | HB2 | 19.1° | 64.9° |
| CG | CB | HB1 | HB2 | 117.4° | 119.9° |
| CB | CG | CD | HG1 | 117.7° | 120.0° |
| CB | CG | CD | HG2 | 120.0° | 120.0° |
| CB | CG | HG1 | HG2 | 118.6° | 120.0° |
| CB | CG | CD | OE1 | 24.8° | 180.0° |
| CB | CG | CD | OE2 | 155.9° | 0.0° |
| HB1 | CB | CG | CD | 140.3° | 60.0° |
| HB1 | CB | CG | HG1 | 102.0° | 180.0° |
| HB1 | CB | CG | HG2 | 20.3° | 60.0° |
| HB2 | CB | CG | CD | 16.0° | 60.0° |
| HB2 | CB | CG | HG1 | 133.7° | 60.0° |
| HB2 | CB | CG | HG2 | 104.0° | 180.0° |
| CD | CG | HG1 | HG2 | 118.6° | 120.0° |
| CG | CD | OE1 | OE2 | 179.2° | 180.0° |
| CG | CD | OE2 | HOE2 | 179.3° | 9.6° |
| HG1 | CG | CD | OE1 | 92.9° | 60.0° |
| HG1 | CG | CD | OE2 | 86.4° | 120.0° |
| HG2 | CG | CD | OE1 | 144.8° | 60.0° |
| HG2 | CG | CD | OE2 | 35.9° | 120.0° |
| OE1 | CD | OE2 | HOE2 | 0.0° | 170.4° |
