3PG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.35Å | |
C1 | O2 | sing | 1.34Å | 1.35Å | |
C1 | C2 | sing | 1.51Å | 1.47Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C2 | O3 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C3 | O1P | sing | 1.43Å | 1.41Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.11Å | |
O1P | P | sing | 1.61Å | 1.66Å | |
P | O2P | doub | 1.48Å | 1.68Å | |
P | O3P | sing | 1.61Å | 1.70Å | |
P | O4P | sing | 1.61Å | 1.68Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å | |
O4P | HOP4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O2 | 115.8° | 119.9° |
O1 | C1 | C2 | 125.2° | 120.1° |
O2 | C1 | C2 | 119.0° | 120.0° |
C1 | O2 | HO2 | 115.7° | 120.0° |
C1 | C2 | O3 | 108.3° | 109.5° |
C1 | C2 | C3 | 107.5° | 109.5° |
C1 | C2 | H2 | 113.2° | 109.4° |
O3 | C2 | C3 | 113.9° | 109.5° |
O3 | C2 | H2 | 106.6° | 109.5° |
C2 | O3 | HO3 | 108.3° | 106.8° |
C3 | C2 | H2 | 107.5° | 109.5° |
C2 | C3 | O1P | 110.1° | 109.5° |
C2 | C3 | H31 | 112.0° | 109.4° |
C2 | C3 | H32 | 112.0° | 109.5° |
O1P | C3 | H31 | 112.0° | 109.5° |
O1P | C3 | H32 | 112.0° | 109.5° |
C3 | O1P | P | 113.5° | 106.8° |
H31 | C3 | H32 | 98.5° | 109.5° |
O1P | P | O2P | 107.3° | 109.5° |
O1P | P | O3P | 109.4° | 109.6° |
O1P | P | O4P | 113.7° | 109.5° |
O2P | P | O3P | 105.5° | 109.4° |
O2P | P | O4P | 109.8° | 109.4° |
O3P | P | O4P | 110.8° | 109.5° |
P | O3P | HOP3 | 109.4° | 106.9° |
P | O4P | HOP4 | 113.8° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O2 | C2 | 178.2° | 180.0° |
O1 | C1 | O2 | HO2 | 180.0° | 0.1° |
O1 | C1 | C2 | O3 | 72.9° | 0.0° |
O1 | C1 | C2 | C3 | 50.6° | 120.0° |
O1 | C1 | C2 | H2 | 169.1° | 120.0° |
O2 | C1 | C2 | O3 | 109.1° | 180.0° |
O2 | C1 | C2 | C3 | 127.5° | 60.0° |
O2 | C1 | C2 | H2 | 8.9° | 60.1° |
C2 | C1 | O2 | HO2 | 1.8° | 179.9° |
C1 | C2 | O3 | C3 | 119.5° | 120.0° |
C1 | C2 | O3 | H2 | 122.1° | 120.0° |
C1 | C2 | C3 | H2 | 122.2° | 120.0° |
C1 | C2 | O3 | HO3 | 180.0° | 60.0° |
C1 | C2 | C3 | O1P | 171.1° | 180.0° |
C1 | C2 | C3 | H31 | 45.9° | 60.0° |
C1 | C2 | C3 | H32 | 63.6° | 60.0° |
O3 | C2 | C3 | H2 | 117.9° | 120.0° |
O3 | C2 | C3 | O1P | 68.9° | 60.0° |
O3 | C2 | C3 | H31 | 165.8° | 180.0° |
O3 | C2 | C3 | H32 | 56.3° | 60.0° |
C3 | C2 | O3 | HO3 | 60.6° | 60.0° |
C2 | C3 | O1P | H31 | 125.3° | 119.9° |
C2 | C3 | O1P | H32 | 125.2° | 120.0° |
C2 | C3 | H31 | H32 | 117.9° | 120.0° |
C2 | C3 | O1P | P | 91.8° | 180.0° |
H2 | C2 | O3 | HO3 | 57.9° | 180.0° |
H2 | C2 | C3 | O1P | 49.0° | 60.0° |
H2 | C2 | C3 | H31 | 76.3° | 60.0° |
H2 | C2 | C3 | H32 | 174.2° | 180.0° |
O1P | C3 | H31 | H32 | 117.9° | 120.1° |
C3 | O1P | P | O2P | 97.4° | 59.9° |
C3 | O1P | P | O3P | 16.6° | 179.9° |
C3 | O1P | P | O4P | 141.0° | 60.0° |
H31 | C3 | O1P | P | 33.5° | 60.0° |
H32 | C3 | O1P | P | 143.0° | 60.0° |
O1P | P | O2P | O3P | 116.6° | 120.1° |
O1P | P | O2P | O4P | 124.1° | 119.9° |
O1P | P | O3P | O4P | 126.1° | 120.1° |
O1P | P | O3P | HOP3 | 180.0° | 180.0° |
O1P | P | O4P | HOP4 | 180.0° | 60.1° |
O2P | P | O3P | O4P | 118.7° | 119.9° |
O2P | P | O3P | HOP3 | 64.9° | 59.9° |
O2P | P | O4P | HOP4 | 59.8° | 179.9° |
O3P | P | O4P | HOP4 | 56.3° | 60.0° |
O4P | P | O3P | HOP3 | 53.8° | 59.9° |