A1A2Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1P | P | doub | 1.48Å | 1.51Å | |
| O2P | P | sing | 1.61Å | 1.52Å | |
| P | O3P | sing | 1.61Å | 1.51Å | |
| P | O4P | sing | 1.61Å | 1.61Å | |
| O4P | C5A | sing | 1.43Å | 1.46Å | |
| C5A | C5 | sing | 1.51Å | 1.50Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| C4A | C4 | sing | 1.51Å | 1.52Å | |
| C4A | N | sing | 1.47Å | 1.47Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| CG | CD1 | doub | 1.34Å | 1.36Å | Aromatic |
| CG | CD2 | sing | 1.47Å | 1.45Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.37Å | Aromatic |
| O | C | doub | 1.21Å | 1.26Å | |
| C6 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C3 | O3 | sing | 1.36Å | 1.36Å | |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| CD2 | CE3 | doub | 1.40Å | 1.40Å | Aromatic |
| CD2 | CE2 | sing | 1.41Å | 1.41Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| CE3 | CZ3 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.50Å | |
| CE2 | CZ2 | doub | 1.39Å | 1.40Å | Aromatic |
| CZ3 | CH2 | doub | 1.39Å | 1.39Å | Aromatic |
| CZ2 | CH2 | sing | 1.38Å | 1.38Å | Aromatic |
| N | H | sing | 1.01Å | 1.00Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| C2A | H2A3 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| C4A | H4B | sing | 1.09Å | 1.10Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 112.9° | 109.4° |
| O1P | P | O3P | 115.9° | 109.5° |
| O1P | P | O4P | 105.1° | 109.5° |
| O2P | P | O3P | 109.9° | 109.5° |
| O2P | P | O4P | 107.5° | 109.5° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| O3P | P | O4P | 104.7° | 109.5° |
| P | O3P | HOP3 | 109.5° | 114.0° |
| P | O4P | C5A | 119.8° | 123.0° |
| O4P | C5A | C5 | 111.0° | 109.4° |
| O4P | C5A | H5A1 | 109.1° | 109.5° |
| O4P | C5A | H5A2 | 109.1° | 109.5° |
| C5A | C5 | C4 | 121.6° | 120.4° |
| C5A | C5 | C6 | 120.6° | 120.4° |
| C5 | C5A | H5A1 | 109.1° | 109.5° |
| C5 | C5A | H5A2 | 109.0° | 109.5° |
| CA | CB | CG | 115.1° | 109.5° |
| CB | CA | N | 111.9° | 109.4° |
| CB | CA | C | 109.3° | 109.5° |
| CB | CA | HA | 108.0° | 109.5° |
| CA | CB | HB2 | 108.0° | 109.5° |
| CA | CB | HB3 | 108.1° | 109.5° |
| CB | CG | CD1 | 126.3° | 126.5° |
| CB | CG | CD2 | 127.6° | 126.5° |
| CG | CB | HB2 | 108.1° | 109.4° |
| CG | CB | HB3 | 108.0° | 109.5° |
| C4 | C4A | N | 111.6° | 109.5° |
| C4A | C4 | C5 | 122.1° | 120.8° |
| C4A | C4 | C3 | 119.9° | 120.8° |
| C4 | C4A | H4A | 109.0° | 109.4° |
| C4 | C4A | H4B | 109.0° | 109.5° |
| C4A | N | CA | 117.6° | 111.0° |
| C4A | N | H | 107.4° | 111.0° |
| N | C4A | H4A | 109.0° | 109.4° |
| N | C4A | H4B | 109.0° | 109.5° |
| N | CA | C | 110.5° | 109.4° |
| CA | N | H | 107.4° | 111.0° |
| N | CA | HA | 109.0° | 109.5° |
| CA | C | O | 117.6° | 120.0° |
| CA | C | OXT | 116.8° | 120.0° |
| C | CA | HA | 108.0° | 109.5° |
| C4 | C5 | C6 | 117.8° | 119.2° |
| C5 | C4 | C3 | 118.1° | 118.4° |
| C5 | C6 | N1 | 123.7° | 120.9° |
| C5 | C6 | H6 | 118.2° | 119.5° |
| C4 | C3 | O3 | 121.0° | 120.5° |
| C4 | C3 | C2 | 119.8° | 119.0° |
| CD1 | CG | CD2 | 106.1° | 107.0° |
| CG | CD1 | NE1 | 110.4° | 110.0° |
| CG | CD1 | HD1 | 124.8° | 125.0° |
| CG | CD2 | CE3 | 134.7° | 134.0° |
| CG | CD2 | CE2 | 106.9° | 106.0° |
| CD1 | NE1 | CE2 | 109.2° | 109.9° |
| NE1 | CD1 | HD1 | 124.8° | 125.0° |
| CD1 | NE1 | HE1 | 125.4° | 125.1° |
| O | C | OXT | 125.6° | 120.0° |
| C6 | N1 | C2 | 119.5° | 121.7° |
| N1 | C6 | H6 | 118.2° | 119.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| O3 | C3 | C2 | 119.2° | 120.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C2 | N1 | 121.1° | 120.7° |
| C3 | C2 | C2A | 120.2° | 119.6° |
| CE3 | CD2 | CE2 | 118.4° | 120.0° |
| CD2 | CE3 | CZ3 | 119.2° | 119.8° |
| CD2 | CE3 | HE3 | 120.4° | 120.2° |
| CD2 | CE2 | NE1 | 107.4° | 107.2° |
| CD2 | CE2 | CZ2 | 122.3° | 119.3° |
| NE1 | CE2 | CZ2 | 130.3° | 133.5° |
| CE2 | NE1 | HE1 | 125.4° | 125.0° |
| N1 | C2 | C2A | 118.6° | 119.7° |
| CE3 | CZ3 | CH2 | 121.4° | 120.5° |
| CZ3 | CE3 | HE3 | 120.4° | 120.0° |
| CE3 | CZ3 | HZ3 | 119.3° | 119.8° |
| C2 | C2A | H2A1 | 109.5° | 109.5° |
| C2 | C2A | H2A2 | 109.5° | 109.5° |
| C2 | C2A | H2A3 | 109.5° | 109.4° |
| CE2 | CZ2 | CH2 | 117.5° | 119.8° |
| CE2 | CZ2 | HZ2 | 121.3° | 120.1° |
| CZ3 | CH2 | CZ2 | 121.3° | 120.7° |
| CH2 | CZ3 | HZ3 | 119.3° | 119.7° |
| CZ3 | CH2 | HH2 | 119.3° | 119.6° |
| CZ2 | CH2 | HH2 | 119.4° | 119.7° |
| CH2 | CZ2 | HZ2 | 121.3° | 120.1° |
| H2A1 | C2A | H2A2 | 109.4° | 109.5° |
| H2A1 | C2A | H2A3 | 109.4° | 109.5° |
| H2A2 | C2A | H2A3 | 109.5° | 109.5° |
| H4A | C4A | H4B | 109.4° | 109.5° |
| H5A1 | C5A | H5A2 | 109.5° | 109.5° |
| HB2 | CB | HB3 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 131.0° | 120.0° |
| O1P | P | O2P | O4P | 115.5° | 120.0° |
| O1P | P | O3P | O4P | 115.3° | 120.0° |
| O1P | P | O4P | C5A | 178.4° | 55.0° |
| O1P | P | O3P | HOP3 | 0.0° | 179.9° |
| O1P | P | O2P | HOP2 | 0.0° | 60.0° |
| O2P | P | O3P | O4P | 115.2° | 120.0° |
| O2P | P | O4P | C5A | 57.9° | 175.0° |
| O2P | P | O3P | HOP3 | 129.4° | 60.0° |
| O3P | P | O4P | C5A | 59.0° | 65.0° |
| O3P | P | O2P | HOP2 | 131.0° | 60.0° |
| P | O4P | C5A | C5 | 153.1° | 180.0° |
| P | O4P | C5A | H5A1 | 32.9° | 60.0° |
| P | O4P | C5A | H5A2 | 86.7° | 60.0° |
| O4P | P | O3P | HOP3 | 115.4° | 60.0° |
| O4P | P | O2P | HOP2 | 115.5° | 180.0° |
| O4P | C5A | C5 | H5A1 | 120.3° | 120.0° |
| O4P | C5A | C5 | H5A2 | 120.2° | 119.9° |
| O4P | C5A | C5 | C4 | 67.2° | 180.0° |
| O4P | C5A | C5 | C6 | 113.8° | 0.0° |
| O4P | C5A | H5A1 | H5A2 | 119.3° | 120.0° |
| C5A | C5 | C4 | C4A | 1.1° | 0.0° |
| C5A | C5 | C4 | C6 | 179.0° | 180.0° |
| C5A | C5 | C4 | C3 | 179.1° | 180.0° |
| C5A | C5 | C6 | N1 | 179.1° | 180.0° |
| C5 | C5A | H5A1 | H5A2 | 119.3° | 120.0° |
| C5A | C5 | C6 | H6 | 0.9° | 0.0° |
| CA | CB | CG | HB2 | 120.8° | 120.0° |
| CA | CB | CG | HB3 | 120.8° | 120.1° |
| CB | CA | N | C4A | 76.8° | 155.0° |
| CB | CA | N | C | 122.1° | 120.0° |
| CB | CA | N | HA | 119.4° | 120.0° |
| CB | CA | C | HA | 117.3° | 120.0° |
| CA | CB | CG | CD1 | 103.3° | 95.0° |
| CA | CB | CG | CD2 | 75.2° | 84.7° |
| CB | CA | C | O | 57.5° | 120.0° |
| CB | CA | C | OXT | 122.6° | 60.1° |
| CB | CA | N | H | 44.4° | 31.1° |
| CA | CB | HB2 | HB3 | 117.4° | 120.0° |
| CG | CB | CA | N | 57.3° | 65.0° |
| CG | CB | CA | C | 65.4° | 175.0° |
| CB | CG | CD1 | CD2 | 178.8° | 179.8° |
| CB | CG | CD1 | NE1 | 179.2° | 179.7° |
| CB | CG | CD2 | CE3 | 1.1° | 0.2° |
| CB | CG | CD2 | CE2 | 179.0° | 179.7° |
| CB | CG | CD1 | HD1 | 0.8° | 0.2° |
| CG | CB | CA | HA | 177.3° | 54.9° |
| CG | CB | HB2 | HB3 | 117.4° | 120.0° |
| C4 | C4A | N | H4A | 120.3° | 120.0° |
| C4 | C4A | N | H4B | 120.3° | 120.0° |
| C4 | C4A | N | CA | 168.6° | 180.0° |
| C4A | C4 | C5 | C3 | 179.8° | 179.9° |
| C4A | C4 | C5 | C6 | 179.9° | 180.0° |
| C4A | C4 | C3 | O3 | 0.1° | 0.0° |
| C4A | C4 | C3 | C2 | 179.6° | 179.9° |
| C4 | C4A | N | H | 70.2° | 56.0° |
| C4 | C4A | H4A | H4B | 119.0° | 120.0° |
| C4A | N | CA | H | 121.1° | 123.9° |
| C4A | N | CA | C | 161.1° | 85.0° |
| N | C4A | C4 | C5 | 130.4° | 90.0° |
| N | C4A | C4 | C3 | 49.8° | 90.0° |
| C4A | N | CA | HA | 42.6° | 35.0° |
| N | C4A | H4A | H4B | 119.0° | 120.0° |
| N | CA | C | HA | 119.1° | 120.0° |
| N | CA | C | O | 178.9° | 0.1° |
| N | CA | C | OXT | 1.0° | 180.0° |
| CA | N | C4A | H4A | 48.3° | 60.0° |
| CA | N | C4A | H4B | 71.0° | 60.0° |
| N | CA | CB | HB2 | 178.2° | 175.0° |
| N | CA | CB | HB3 | 63.5° | 55.0° |
| CA | C | O | OXT | 179.9° | 179.9° |
| C | CA | N | H | 77.7° | 151.0° |
| C | CA | CB | HB2 | 55.4° | 55.0° |
| C | CA | CB | HB3 | 173.7° | 64.9° |
| CA | C | OXT | HXT | 179.9° | 180.0° |
| C4 | C5 | C6 | N1 | 0.1° | 0.0° |
| C5 | C4 | C3 | O3 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C4A | H4A | 109.3° | 150.1° |
| C5 | C4 | C4A | H4B | 10.0° | 30.1° |
| C4 | C5 | C5A | H5A1 | 53.0° | 60.0° |
| C4 | C5 | C5A | H5A2 | 172.5° | 60.1° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.1° |
| C6 | C5 | C5A | H5A1 | 126.0° | 120.0° |
| C6 | C5 | C5A | H5A2 | 6.4° | 119.9° |
| C4 | C3 | O3 | C2 | 179.7° | 180.0° |
| C4 | C3 | C2 | N1 | 0.6° | 0.0° |
| C4 | C3 | C2 | C2A | 179.7° | 180.0° |
| C3 | C4 | C4A | H4A | 70.5° | 30.0° |
| C3 | C4 | C4A | H4B | 170.2° | 150.0° |
| C4 | C3 | O3 | HO3 | 180.0° | 90.0° |
| CG | CD1 | NE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE3 | 179.8° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.2° | 0.0° |
| CG | CD1 | NE1 | CE2 | 0.4° | 0.0° |
| CD1 | CG | CB | HB2 | 135.8° | 25.0° |
| CD1 | CG | CB | HB3 | 17.5° | 145.0° |
| CG | CD1 | NE1 | HE1 | 179.6° | 179.9° |
| CD2 | CG | CD1 | NE1 | 0.4° | 0.1° |
| CG | CD2 | CE3 | CE2 | 179.9° | 179.9° |
| CG | CD2 | CE2 | NE1 | 0.0° | 0.0° |
| CG | CD2 | CE3 | CZ3 | 179.7° | 180.0° |
| CG | CD2 | CE2 | CZ2 | 180.0° | 180.0° |
| CD2 | CG | CD1 | HD1 | 179.7° | 180.0° |
| CG | CD2 | CE3 | HE3 | 0.3° | 0.0° |
| CD2 | CG | CB | HB2 | 45.6° | 155.3° |
| CD2 | CG | CB | HB3 | 163.9° | 35.3° |
| CD1 | NE1 | CE2 | CD2 | 0.2° | 0.0° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CZ2 | 179.8° | 180.0° |
| O | C | CA | HA | 59.8° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C6 | N1 | C2 | C3 | 0.6° | 0.1° |
| C6 | N1 | C2 | C2A | 179.8° | 180.0° |
| OXT | C | CA | HA | 120.2° | 60.0° |
| O3 | C3 | C2 | N1 | 179.7° | 180.0° |
| O3 | C3 | C2 | C2A | 0.6° | 0.0° |
| C3 | C2 | N1 | C2A | 179.1° | 179.9° |
| C3 | C2 | C2A | H2A1 | 179.1° | 90.0° |
| C3 | C2 | C2A | H2A2 | 60.9° | 30.0° |
| C3 | C2 | C2A | H2A3 | 59.1° | 150.0° |
| C2 | C3 | O3 | HO3 | 0.3° | 90.0° |
| CE3 | CD2 | CE2 | NE1 | 180.0° | 180.0° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 180.0° |
| CE3 | CD2 | CE2 | CZ2 | 0.1° | 0.0° |
| CD2 | CE3 | CZ3 | CH2 | 0.3° | 0.1° |
| CD2 | CE3 | CZ3 | HZ3 | 179.6° | 180.0° |
| CD2 | CE2 | NE1 | CZ2 | 180.0° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.4° | 0.1° |
| CD2 | CE2 | CZ2 | CH2 | 0.2° | 0.0° |
| CE2 | CD2 | CE3 | HE3 | 179.6° | 180.0° |
| CD2 | CE2 | CZ2 | HZ2 | 179.8° | 180.0° |
| CD2 | CE2 | NE1 | HE1 | 179.8° | 179.9° |
| NE1 | CE2 | CZ2 | CH2 | 179.7° | 180.0° |
| CE2 | NE1 | CD1 | HD1 | 179.7° | 180.0° |
| NE1 | CE2 | CZ2 | HZ2 | 0.2° | 0.1° |
| N1 | C2 | C2A | H2A1 | 0.0° | 90.0° |
| N1 | C2 | C2A | H2A2 | 120.0° | 150.0° |
| N1 | C2 | C2A | H2A3 | 120.0° | 30.0° |
| C2 | N1 | C6 | H6 | 179.7° | 179.9° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.0° | 0.0° |
| CE3 | CZ3 | CH2 | HH2 | 180.0° | 179.9° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.3° | 0.0° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | HH2 | 179.8° | 180.0° |
| CZ2 | CE2 | NE1 | HE1 | 0.3° | 0.1° |
| CZ3 | CH2 | CZ2 | HH2 | 180.0° | 179.9° |
| CH2 | CZ3 | CE3 | HE3 | 179.6° | 180.0° |
| CZ3 | CH2 | CZ2 | HZ2 | 179.8° | 180.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 180.0° | 180.0° |
| H | N | CA | HA | 163.7° | 88.9° |
| H | N | C4A | H4A | 169.4° | 63.9° |
| H | N | C4A | H4B | 50.1° | 176.0° |
| HD1 | CD1 | NE1 | HE1 | 0.4° | 0.1° |
| HE3 | CE3 | CZ3 | HZ3 | 0.4° | 0.0° |
| HZ3 | CZ3 | CH2 | HH2 | 0.1° | 0.0° |
| H2A1 | C2A | H2A2 | H2A3 | 119.9° | 120.0° |
| HA | CA | CB | HB2 | 61.9° | 65.0° |
| HA | CA | CB | HB3 | 56.4° | 175.0° |
| HH2 | CH2 | CZ2 | HZ2 | 0.2° | 0.1° |
