0JO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.25Å | |
| OXT | C | sing | 1.35Å | 1.25Å | |
| C | CA | sing | 1.48Å | 1.47Å | |
| CA | CB | doub | 1.35Å | 1.33Å | |
| CA | N | sing | 1.37Å | 1.34Å | |
| O3 | C3 | sing | 1.36Å | 1.36Å | |
| N | C4A | doub | 1.30Å | 1.27Å | |
| C4A | C4 | sing | 1.47Å | 1.49Å | |
| C3 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2A | C2 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| OP3 | P | doub | 1.48Å | 1.51Å | |
| C5 | C5A | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| OP4 | C5A | sing | 1.43Å | 1.42Å | |
| OP4 | P | sing | 1.61Å | 1.61Å | |
| OP1 | P | sing | 1.61Å | 1.50Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| OXT | H1 | sing | 0.97Å | 0.95Å | |
| CB | H2 | sing | 1.08Å | 1.08Å | |
| CB | H3 | sing | 1.08Å | 1.08Å | |
| C4A | H4 | sing | 1.08Å | 1.08Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| C2A | H6 | sing | 1.09Å | 1.10Å | |
| C2A | H7 | sing | 1.09Å | 1.10Å | |
| C2A | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C5A | H10 | sing | 1.09Å | 1.10Å | |
| C5A | H11 | sing | 1.09Å | 1.10Å | |
| OP1 | H12 | sing | 0.97Å | 0.95Å | |
| OP2 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 121.3° | 120.1° |
| O | C | CA | 119.3° | 120.0° |
| OXT | C | CA | 119.3° | 120.0° |
| C | OXT | H1 | 109.5° | 117.0° |
| C | CA | CB | 122.4° | 120.0° |
| C | CA | N | 118.0° | 120.0° |
| CB | CA | N | 119.6° | 120.0° |
| CA | CB | H2 | 120.0° | 120.0° |
| CA | CB | H3 | 120.0° | 120.0° |
| CA | N | C4A | 123.6° | 120.0° |
| O3 | C3 | C4 | 120.8° | 120.6° |
| O3 | C3 | C2 | 119.8° | 120.6° |
| C3 | O3 | H5 | 109.5° | 114.0° |
| N | C4A | C4 | 121.0° | 120.0° |
| N | C4A | H4 | 119.5° | 120.0° |
| C4A | C4 | C3 | 120.9° | 121.0° |
| C4A | C4 | C5 | 121.3° | 121.0° |
| C4 | C4A | H4 | 119.5° | 120.0° |
| C4 | C3 | C2 | 119.4° | 118.8° |
| C3 | C4 | C5 | 117.9° | 118.1° |
| C3 | C2 | C2A | 120.3° | 119.6° |
| C3 | C2 | N1 | 121.2° | 120.8° |
| C2A | C2 | N1 | 118.5° | 119.6° |
| C2 | C2A | H6 | 109.5° | 109.5° |
| C2 | C2A | H7 | 109.5° | 109.4° |
| C2 | C2A | H8 | 109.5° | 109.5° |
| C4 | C5 | C5A | 121.8° | 120.5° |
| C4 | C5 | C6 | 120.6° | 119.0° |
| C2 | N1 | C6 | 120.6° | 122.2° |
| OP3 | P | OP4 | 105.5° | 109.5° |
| OP3 | P | OP1 | 117.6° | 109.5° |
| OP3 | P | OP2 | 111.8° | 109.4° |
| C5A | C5 | C6 | 117.7° | 120.5° |
| C5 | C5A | OP4 | 111.1° | 109.4° |
| C5 | C5A | H10 | 109.1° | 109.5° |
| C5 | C5A | H11 | 109.0° | 109.5° |
| C5 | C6 | N1 | 120.3° | 121.1° |
| C5 | C6 | H9 | 119.9° | 119.4° |
| N1 | C6 | H9 | 119.9° | 119.5° |
| C5A | OP4 | P | 117.7° | 123.0° |
| OP4 | C5A | H10 | 109.1° | 109.4° |
| OP4 | C5A | H11 | 109.1° | 109.5° |
| OP4 | P | OP1 | 99.5° | 109.5° |
| OP4 | P | OP2 | 105.7° | 109.5° |
| OP1 | P | OP2 | 114.7° | 109.5° |
| P | OP1 | H12 | 109.5° | 114.0° |
| P | OP2 | H13 | 109.5° | 114.0° |
| H2 | CB | H3 | 120.0° | 119.9° |
| H6 | C2A | H7 | 109.5° | 109.5° |
| H6 | C2A | H8 | 109.5° | 109.4° |
| H7 | C2A | H8 | 109.5° | 109.5° |
| H10 | C5A | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 179.3° | 179.8° |
| O | C | CA | CB | 16.6° | 175.3° |
| O | C | CA | N | 162.2° | 4.7° |
| O | C | OXT | H1 | 0.0° | 0.1° |
| OXT | C | CA | CB | 164.1° | 4.9° |
| OXT | C | CA | N | 17.1° | 175.1° |
| C | CA | CB | N | 178.8° | 180.0° |
| C | CA | N | C4A | 106.4° | 48.1° |
| CA | C | OXT | H1 | 179.4° | 179.7° |
| C | CA | CB | H2 | 178.8° | 180.0° |
| C | CA | CB | H3 | 1.2° | 0.1° |
| CB | CA | N | C4A | 74.8° | 131.9° |
| CA | CB | H2 | H3 | 180.0° | 179.9° |
| CA | N | C4A | C4 | 179.6° | 174.8° |
| N | CA | CB | H2 | 0.0° | 0.0° |
| N | CA | CB | H3 | 180.0° | 180.0° |
| CA | N | C4A | H4 | 0.4° | 5.2° |
| O3 | C3 | C4 | C4A | 0.4° | 0.1° |
| O3 | C3 | C4 | C2 | 179.6° | 179.9° |
| O3 | C3 | C2 | C2A | 0.1° | 0.0° |
| O3 | C3 | C4 | C5 | 180.0° | 179.7° |
| O3 | C3 | C2 | N1 | 180.0° | 179.9° |
| N | C4A | C4 | H4 | 180.0° | 180.0° |
| N | C4A | C4 | C3 | 48.0° | 0.2° |
| N | C4A | C4 | C5 | 132.4° | 180.0° |
| C4A | C4 | C3 | C5 | 179.6° | 179.8° |
| C4A | C4 | C3 | C2 | 180.0° | 180.0° |
| C4A | C4 | C5 | C5A | 0.8° | 0.0° |
| C4A | C4 | C5 | C6 | 179.8° | 179.8° |
| C4 | C3 | C2 | C2A | 179.7° | 179.9° |
| C4 | C3 | C2 | N1 | 0.4° | 0.0° |
| C3 | C4 | C5 | C5A | 179.6° | 179.8° |
| C3 | C4 | C5 | C6 | 0.1° | 0.4° |
| C3 | C4 | C4A | H4 | 132.0° | 179.8° |
| C4 | C3 | O3 | H5 | 180.0° | 90.0° |
| C3 | C2 | C2A | N1 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.2° |
| C3 | C2 | N1 | C6 | 0.1° | 0.1° |
| C2 | C3 | O3 | H5 | 0.4° | 89.9° |
| C3 | C2 | C2A | H6 | 179.9° | 90.0° |
| C3 | C2 | C2A | H7 | 59.9° | 150.0° |
| C3 | C2 | C2A | H8 | 60.1° | 30.0° |
| C2A | C2 | N1 | C6 | 180.0° | 180.0° |
| C2 | C2A | H6 | H7 | 120.0° | 120.0° |
| C2 | C2A | H6 | H8 | 120.0° | 120.0° |
| C2 | C2A | H7 | H8 | 120.0° | 120.0° |
| C4 | C5 | C5A | C6 | 179.5° | 179.8° |
| C4 | C5 | C6 | N1 | 0.1° | 0.5° |
| C4 | C5 | C5A | OP4 | 79.1° | 180.0° |
| C5 | C4 | C4A | H4 | 47.6° | 0.1° |
| C4 | C5 | C6 | H9 | 180.0° | 179.8° |
| C4 | C5 | C5A | H10 | 160.6° | 60.0° |
| C4 | C5 | C5A | H11 | 41.1° | 60.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.3° |
| N1 | C2 | C2A | H6 | 0.0° | 89.9° |
| N1 | C2 | C2A | H7 | 120.0° | 30.1° |
| N1 | C2 | C2A | H8 | 120.0° | 150.1° |
| C2 | N1 | C6 | H9 | 180.0° | 179.9° |
| OP3 | P | OP4 | C5A | 60.1° | 54.9° |
| OP3 | P | OP4 | OP1 | 122.3° | 120.0° |
| OP3 | P | OP4 | OP2 | 118.5° | 120.0° |
| OP3 | P | OP1 | OP2 | 134.6° | 120.0° |
| OP3 | P | OP1 | H12 | 0.0° | 60.0° |
| OP3 | P | OP2 | H13 | 0.0° | 180.0° |
| C5A | C5 | C6 | N1 | 179.4° | 179.7° |
| C5 | C5A | OP4 | H10 | 120.2° | 120.0° |
| C5 | C5A | OP4 | H11 | 120.2° | 120.0° |
| C5 | C5A | OP4 | P | 164.1° | 180.0° |
| C5A | C5 | C6 | H9 | 0.5° | 0.0° |
| C5 | C5A | H10 | H11 | 119.2° | 120.1° |
| C5 | C6 | N1 | H9 | 180.0° | 179.7° |
| C6 | C5 | C5A | OP4 | 101.4° | 0.2° |
| C6 | C5 | C5A | H10 | 18.9° | 120.2° |
| C6 | C5 | C5A | H11 | 138.4° | 119.8° |
| C5A | OP4 | P | OP1 | 177.6° | 175.0° |
| C5A | OP4 | P | OP2 | 58.4° | 65.0° |
| OP4 | C5A | H10 | H11 | 119.3° | 120.0° |
| OP4 | P | OP1 | OP2 | 112.2° | 120.0° |
| P | OP4 | C5A | H10 | 75.7° | 60.0° |
| P | OP4 | C5A | H11 | 43.9° | 60.0° |
| OP4 | P | OP1 | H12 | 113.2° | 180.0° |
| OP4 | P | OP2 | H13 | 114.2° | 60.0° |
| OP1 | P | OP2 | H13 | 137.2° | 60.0° |
| OP2 | P | OP1 | H12 | 134.6° | 60.0° |
| H6 | C2A | H7 | H8 | 120.0° | 120.0° |
