PEP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.29Å | |
C1 | O2' | sing | 1.35Å | 1.21Å | |
C1 | C2 | sing | 1.47Å | 1.52Å | |
O2' | HO2 | sing | 0.97Å | 0.95Å | |
C2 | C3 | doub | 1.33Å | 1.36Å | |
C2 | O2 | sing | 1.36Å | 1.38Å | |
C3 | H31 | sing | 1.08Å | 1.10Å | |
C3 | H32 | sing | 1.08Å | 1.10Å | |
O2 | P | sing | 1.61Å | 1.58Å | |
P | O1P | doub | 1.48Å | 1.54Å | |
P | O2P | sing | 1.61Å | 1.50Å | |
P | O3P | sing | 1.61Å | 1.48Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O2' | 122.8° | 120.0° |
O1 | C1 | C2 | 114.0° | 120.0° |
O2' | C1 | C2 | 123.0° | 120.0° |
C1 | O2' | HO2 | 122.8° | 120.1° |
C1 | C2 | C3 | 129.5° | 120.0° |
C1 | C2 | O2 | 114.1° | 120.0° |
C3 | C2 | O2 | 116.0° | 120.1° |
C2 | C3 | H31 | 116.0° | 120.0° |
C2 | C3 | H32 | 129.5° | 120.0° |
C2 | O2 | P | 124.9° | 106.8° |
H31 | C3 | H32 | 114.1° | 119.9° |
O2 | P | O1P | 104.8° | 109.4° |
O2 | P | O2P | 104.0° | 109.5° |
O2 | P | O3P | 107.9° | 109.5° |
O1P | P | O2P | 114.3° | 109.4° |
O1P | P | O3P | 108.2° | 109.5° |
O2P | P | O3P | 116.7° | 109.4° |
P | O2P | HOP2 | 104.1° | 106.9° |
P | O3P | HOP3 | 107.9° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O2' | C2 | 174.8° | 180.0° |
O1 | C1 | O2' | HO2 | 179.9° | 0.0° |
O1 | C1 | C2 | C3 | 5.8° | 180.0° |
O1 | C1 | C2 | O2 | 178.0° | 0.0° |
O2' | C1 | C2 | C3 | 179.1° | 0.0° |
O2' | C1 | C2 | O2 | 6.8° | 180.0° |
C2 | C1 | O2' | HO2 | 5.2° | 180.0° |
C1 | C2 | C3 | O2 | 172.1° | 180.0° |
C1 | C2 | C3 | H31 | 7.9° | 174.8° |
C1 | C2 | C3 | H32 | 180.0° | 5.2° |
C1 | C2 | O2 | P | 94.6° | 93.6° |
C2 | C3 | H31 | H32 | 173.4° | 180.0° |
C3 | C2 | O2 | P | 78.8° | 86.3° |
O2 | C2 | C3 | H31 | 180.0° | 5.2° |
O2 | C2 | C3 | H32 | 7.9° | 174.8° |
C2 | O2 | P | O1P | 72.5° | 55.3° |
C2 | O2 | P | O2P | 167.2° | 175.3° |
C2 | O2 | P | O3P | 42.7° | 64.7° |
O2 | P | O1P | O2P | 113.2° | 120.0° |
O2 | P | O1P | O3P | 114.9° | 120.0° |
O2 | P | O2P | O3P | 118.6° | 120.1° |
O2 | P | O2P | HOP2 | 180.0° | 180.0° |
O2 | P | O3P | HOP3 | 179.9° | 60.0° |
O1P | P | O2P | O3P | 127.7° | 120.0° |
O1P | P | O2P | HOP2 | 66.3° | 60.0° |
O1P | P | O3P | HOP3 | 67.2° | 180.0° |
O2P | P | O3P | HOP3 | 63.4° | 60.1° |
O3P | P | O2P | HOP2 | 61.3° | 59.9° |