7TS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P | doub | 1.48Å | 1.50Å | |
| O1P | P | sing | 1.61Å | 1.48Å | |
| P | O3P | sing | 1.61Å | 1.55Å | |
| P | O4P | sing | 1.61Å | 1.61Å | |
| OG | CB | sing | 1.34Å | 1.38Å | |
| OG | ND | sing | 1.21Å | 1.41Å | |
| CB | CA | doub | 1.36Å | 1.41Å | |
| O4P | C5A | sing | 1.43Å | 1.43Å | |
| ND | C | sing | 1.35Å | 1.36Å | |
| C5A | C5 | sing | 1.51Å | 1.56Å | |
| CA | C | sing | 1.42Å | 1.41Å | |
| CA | N | sing | 1.41Å | 1.45Å | |
| C | O | doub | 1.22Å | 1.20Å | |
| C4A | N | sing | 1.47Å | 1.43Å | |
| C4A | C4 | sing | 1.51Å | 1.54Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.42Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.55Å | |
| C2A | H1 | sing | 1.09Å | 1.10Å | |
| C2A | H2 | sing | 1.09Å | 1.10Å | |
| C2A | H3 | sing | 1.09Å | 1.10Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| C4A | H5 | sing | 1.09Å | 1.10Å | |
| C4A | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C5A | H8 | sing | 1.09Å | 1.10Å | |
| C5A | H9 | sing | 1.09Å | 1.10Å | |
| O1P | H10 | sing | 0.97Å | 0.95Å | |
| O3P | H11 | sing | 0.97Å | 0.95Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| ND | H13 | sing | 0.97Å | 1.00Å | |
| CB | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P | O1P | 111.9° | 109.5° |
| O2P | P | O3P | 111.5° | 109.5° |
| O2P | P | O4P | 108.3° | 109.4° |
| O1P | P | O3P | 111.1° | 109.5° |
| O1P | P | O4P | 107.8° | 109.5° |
| P | O1P | H10 | 109.5° | 114.0° |
| O3P | P | O4P | 105.9° | 109.4° |
| P | O3P | H11 | 109.5° | 114.0° |
| P | O4P | C5A | 117.6° | 123.0° |
| CB | OG | ND | 108.0° | 112.2° |
| OG | CB | CA | 107.6° | 107.3° |
| OG | CB | H14 | 126.2° | 126.3° |
| OG | ND | C | 109.2° | 110.7° |
| OG | ND | H13 | 125.4° | 124.6° |
| CB | CA | C | 107.8° | 104.1° |
| CB | CA | N | 125.1° | 127.9° |
| CA | CB | H14 | 126.2° | 126.3° |
| O4P | C5A | C5 | 106.5° | 109.5° |
| O4P | C5A | H8 | 110.2° | 109.5° |
| O4P | C5A | H9 | 110.2° | 109.4° |
| ND | C | CA | 107.3° | 105.7° |
| ND | C | O | 125.1° | 127.1° |
| C | ND | H13 | 125.4° | 124.7° |
| C5A | C5 | C4 | 120.6° | 120.4° |
| C5A | C5 | C6 | 118.7° | 120.4° |
| C5 | C5A | H8 | 110.2° | 109.5° |
| C5 | C5A | H9 | 110.2° | 109.5° |
| C | CA | N | 127.1° | 127.9° |
| CA | C | O | 127.6° | 127.2° |
| CA | N | C4A | 112.8° | 120.0° |
| CA | N | H12 | 108.7° | 120.0° |
| N | C4A | C4 | 114.9° | 109.5° |
| N | C4A | H5 | 108.1° | 109.4° |
| N | C4A | H6 | 108.1° | 109.4° |
| C4A | N | H12 | 108.6° | 120.0° |
| C4A | C4 | C5 | 121.4° | 120.8° |
| C4A | C4 | C3 | 120.0° | 120.8° |
| C4 | C4A | H5 | 108.1° | 109.5° |
| C4 | C4A | H6 | 108.1° | 109.5° |
| C4 | C5 | C6 | 120.6° | 119.3° |
| C5 | C4 | C3 | 118.6° | 118.4° |
| C5 | C6 | N1 | 119.0° | 120.9° |
| C5 | C6 | H7 | 120.5° | 119.6° |
| C4 | C3 | O3 | 120.1° | 120.5° |
| C4 | C3 | C2 | 118.8° | 119.1° |
| C6 | N1 | C2 | 122.1° | 121.8° |
| N1 | C6 | H7 | 120.5° | 119.6° |
| O3 | C3 | C2 | 121.1° | 120.5° |
| C3 | O3 | H4 | 109.5° | 114.0° |
| C3 | C2 | N1 | 120.8° | 120.7° |
| C3 | C2 | C2A | 121.6° | 119.7° |
| N1 | C2 | C2A | 117.6° | 119.7° |
| C2 | C2A | H1 | 109.5° | 109.5° |
| C2 | C2A | H2 | 109.5° | 109.5° |
| C2 | C2A | H3 | 109.5° | 109.5° |
| H1 | C2A | H2 | 109.5° | 109.5° |
| H1 | C2A | H3 | 109.5° | 109.5° |
| H2 | C2A | H3 | 109.5° | 109.5° |
| H5 | C4A | H6 | 109.5° | 109.5° |
| H8 | C5A | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P | O1P | O3P | 125.3° | 120.1° |
| O2P | P | O1P | O4P | 119.0° | 120.0° |
| O2P | P | O3P | O4P | 117.6° | 120.0° |
| O2P | P | O4P | C5A | 57.1° | 55.0° |
| O2P | P | O1P | H10 | 0.0° | 60.0° |
| O2P | P | O3P | H11 | 0.0° | 180.0° |
| O1P | P | O3P | O4P | 116.8° | 120.0° |
| O1P | P | O4P | C5A | 64.1° | 175.0° |
| O1P | P | O3P | H11 | 125.5° | 60.0° |
| O3P | P | O4P | C5A | 176.9° | 65.0° |
| O3P | P | O1P | H10 | 125.3° | 60.1° |
| P | O4P | C5A | C5 | 158.4° | 180.0° |
| P | O4P | C5A | H8 | 82.1° | 59.9° |
| P | O4P | C5A | H9 | 38.8° | 60.0° |
| O4P | P | O1P | H10 | 119.0° | 180.0° |
| O4P | P | O3P | H11 | 117.6° | 60.0° |
| OG | CB | CA | H14 | 180.0° | 179.7° |
| CB | OG | ND | C | 0.4° | 0.3° |
| OG | CB | CA | C | 0.7° | 0.4° |
| OG | CB | CA | N | 179.4° | 179.9° |
| CB | OG | ND | H13 | 179.5° | 179.8° |
| ND | OG | CB | CA | 0.2° | 0.4° |
| OG | ND | C | H13 | 180.0° | 179.9° |
| OG | ND | C | CA | 0.8° | 0.0° |
| OG | ND | C | O | 178.6° | 180.0° |
| ND | OG | CB | H14 | 179.8° | 179.9° |
| CB | CA | C | ND | 0.9° | 0.2° |
| CB | CA | C | N | 179.9° | 179.8° |
| CB | CA | C | O | 178.5° | 179.8° |
| CB | CA | N | C4A | 104.3° | 0.3° |
| CB | CA | N | H12 | 135.3° | 179.7° |
| O4P | C5A | C5 | H8 | 119.6° | 120.1° |
| O4P | C5A | C5 | H9 | 119.5° | 119.9° |
| O4P | C5A | C5 | C4 | 76.0° | 180.0° |
| O4P | C5A | C5 | C6 | 101.3° | 0.1° |
| O4P | C5A | H8 | H9 | 121.3° | 120.0° |
| ND | C | CA | O | 179.4° | 180.0° |
| ND | C | CA | N | 179.1° | 180.0° |
| C5A | C5 | C4 | C4A | 3.6° | 0.1° |
| C5A | C5 | C4 | C6 | 177.2° | 179.9° |
| C5A | C5 | C4 | C3 | 178.1° | 180.0° |
| C5A | C5 | C6 | N1 | 178.0° | 180.0° |
| C5A | C5 | C6 | H7 | 2.0° | 0.0° |
| C5 | C5A | H8 | H9 | 121.4° | 120.0° |
| C | CA | N | C4A | 75.8° | 180.0° |
| C | CA | N | H12 | 44.7° | 0.0° |
| CA | C | ND | H13 | 179.1° | 180.0° |
| C | CA | CB | H14 | 179.3° | 180.0° |
| N | CA | C | O | 1.4° | 0.0° |
| CA | N | C4A | H12 | 120.5° | 180.0° |
| CA | N | C4A | C4 | 175.1° | 180.0° |
| CA | N | C4A | H5 | 64.1° | 60.0° |
| CA | N | C4A | H6 | 54.3° | 60.0° |
| N | CA | CB | H14 | 0.6° | 0.2° |
| O | C | ND | H13 | 1.4° | 0.1° |
| N | C4A | C4 | H5 | 120.8° | 120.0° |
| N | C4A | C4 | H6 | 120.8° | 120.0° |
| N | C4A | C4 | C5 | 98.7° | 90.0° |
| N | C4A | C4 | C3 | 83.1° | 90.0° |
| N | C4A | H5 | H6 | 117.5° | 119.9° |
| C4A | C4 | C5 | C3 | 178.3° | 179.9° |
| C4A | C4 | C5 | C6 | 179.2° | 180.0° |
| C4A | C4 | C3 | O3 | 1.1° | 0.0° |
| C4A | C4 | C3 | C2 | 178.5° | 179.9° |
| C4 | C4A | H5 | H6 | 117.5° | 120.0° |
| C4 | C4A | N | H12 | 54.6° | 0.0° |
| C4 | C5 | C6 | N1 | 0.8° | 0.0° |
| C5 | C4 | C3 | O3 | 179.4° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C4A | H5 | 22.1° | 30.0° |
| C5 | C4 | C4A | H6 | 140.6° | 150.1° |
| C4 | C5 | C6 | H7 | 179.3° | 180.0° |
| C4 | C5 | C5A | H8 | 164.5° | 59.9° |
| C4 | C5 | C5A | H9 | 43.5° | 60.1° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C5 | C6 | N1 | H7 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C6 | C5 | C5A | H8 | 18.3° | 120.0° |
| C6 | C5 | C5A | H9 | 139.2° | 120.0° |
| C4 | C3 | O3 | C2 | 179.5° | 180.0° |
| C4 | C3 | C2 | N1 | 0.8° | 0.0° |
| C4 | C3 | C2 | C2A | 179.8° | 180.0° |
| C4 | C3 | O3 | H4 | 180.0° | 90.1° |
| C3 | C4 | C4A | H5 | 156.1° | 150.0° |
| C3 | C4 | C4A | H6 | 37.7° | 30.0° |
| C6 | N1 | C2 | C3 | 1.1° | 0.0° |
| C6 | N1 | C2 | C2A | 179.6° | 180.0° |
| O3 | C3 | C2 | N1 | 179.6° | 180.0° |
| O3 | C3 | C2 | C2A | 0.3° | 0.1° |
| C3 | C2 | N1 | C2A | 179.4° | 179.9° |
| C3 | C2 | C2A | H1 | 179.4° | 90.0° |
| C3 | C2 | C2A | H2 | 60.6° | 30.0° |
| C3 | C2 | C2A | H3 | 59.4° | 150.0° |
| C2 | C3 | O3 | H4 | 0.4° | 89.9° |
| N1 | C2 | C2A | H1 | 0.0° | 90.0° |
| N1 | C2 | C2A | H2 | 120.0° | 150.0° |
| N1 | C2 | C2A | H3 | 120.0° | 30.0° |
| C2 | N1 | C6 | H7 | 179.7° | 180.0° |
| C2 | C2A | H1 | H2 | 120.0° | 120.0° |
| C2 | C2A | H1 | H3 | 120.0° | 120.0° |
| C2 | C2A | H2 | H3 | 120.0° | 120.0° |
| H1 | C2A | H2 | H3 | 120.0° | 120.0° |
| H5 | C4A | N | H12 | 175.4° | 120.1° |
| H6 | C4A | N | H12 | 66.2° | 120.0° |
