GSE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O11 | sing | 1.43Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| O11 | P | sing | 1.61Å | 1.52Å | |
| O12 | P | sing | 1.61Å | 1.55Å | |
| O12 | C11 | sing | 1.43Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | O21 | sing | 1.43Å | 1.44Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C3 | O31 | sing | 1.43Å | 1.43Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| O31 | HO1 | sing | 0.97Å | 0.95Å | |
| P | O14 | sing | 1.61Å | 1.48Å | |
| P | O13 | doub | 1.48Å | 1.45Å | |
| O14 | HO4 | sing | 0.97Å | 0.95Å | |
| O21 | HO2 | sing | 0.97Å | 0.95Å | |
| C11 | CA | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| CA | N | sing | 1.47Å | 1.41Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C1 | C2 | 106.0° | 109.6° |
| O11 | C1 | H11 | 113.5° | 109.4° |
| O11 | C1 | H12A | 113.5° | 109.5° |
| C1 | O11 | P | 131.5° | 106.9° |
| C2 | C1 | H11 | 113.5° | 109.4° |
| C2 | C1 | H12A | 113.6° | 109.5° |
| C1 | C2 | C3 | 114.6° | 109.6° |
| C1 | C2 | O21 | 107.9° | 109.4° |
| C1 | C2 | H21 | 106.6° | 109.5° |
| H11 | C1 | H12A | 96.9° | 109.4° |
| O11 | P | O12 | 99.2° | 109.5° |
| O11 | P | O14 | 111.7° | 109.5° |
| O11 | P | O13 | 115.0° | 109.4° |
| P | O12 | C11 | 118.2° | 106.8° |
| O12 | P | O14 | 110.4° | 109.5° |
| O12 | P | O13 | 114.5° | 109.5° |
| O12 | C11 | CA | 117.6° | 109.5° |
| O12 | C11 | H111 | 109.2° | 109.5° |
| O12 | C11 | H112 | 109.2° | 109.5° |
| C3 | C2 | O21 | 108.0° | 109.4° |
| C3 | C2 | H21 | 106.5° | 109.6° |
| C2 | C3 | O31 | 112.1° | 109.5° |
| C2 | C3 | H31 | 111.2° | 109.4° |
| C2 | C3 | H32 | 111.2° | 109.5° |
| O21 | C2 | H21 | 113.4° | 109.4° |
| C2 | O21 | HO2 | 107.9° | 106.9° |
| O31 | C3 | H31 | 111.3° | 109.5° |
| O31 | C3 | H32 | 111.2° | 109.5° |
| C3 | O31 | HO1 | 112.1° | 106.8° |
| H31 | C3 | H32 | 99.1° | 109.5° |
| O14 | P | O13 | 106.0° | 109.4° |
| P | O14 | HO4 | 111.7° | 106.7° |
| CA | C11 | H111 | 109.3° | 109.4° |
| CA | C11 | H112 | 109.3° | 109.5° |
| C11 | CA | N | 93.7° | 109.4° |
| C11 | CA | C | 119.6° | 109.5° |
| C11 | CA | HA | 124.3° | 109.5° |
| H111 | C11 | H112 | 100.9° | 109.4° |
| N | CA | C | 129.3° | 109.4° |
| N | CA | HA | 112.6° | 109.4° |
| CA | N | H2 | 93.7° | 106.7° |
| CA | N | H | 118.4° | 106.7° |
| C | CA | HA | 80.6° | 109.5° |
| CA | C | OXT | 128.2° | 120.0° |
| CA | C | O | 121.1° | 120.0° |
| H2 | N | H | 118.4° | 106.7° |
| OXT | C | O | 110.4° | 120.0° |
| C | OXT | HXT | 128.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C1 | C2 | H11 | 125.3° | 119.9° |
| O11 | C1 | C2 | H12A | 125.3° | 120.1° |
| O11 | C1 | H11 | H12A | 119.4° | 120.0° |
| C1 | O11 | P | O12 | 168.1° | 180.0° |
| O11 | C1 | C2 | C3 | 82.7° | 180.0° |
| O11 | C1 | C2 | O21 | 37.7° | 60.1° |
| O11 | C1 | C2 | H21 | 159.7° | 59.8° |
| C1 | O11 | P | O14 | 75.5° | 59.9° |
| C1 | O11 | P | O13 | 45.4° | 60.0° |
| C2 | C1 | H11 | H12A | 119.5° | 120.0° |
| C2 | C1 | O11 | P | 170.6° | 180.0° |
| C1 | C2 | C3 | O21 | 120.3° | 119.9° |
| C1 | C2 | C3 | H21 | 117.6° | 120.1° |
| C1 | C2 | O21 | H21 | 117.8° | 119.9° |
| C1 | C2 | C3 | O31 | 65.0° | 180.0° |
| C1 | C2 | C3 | H31 | 169.7° | 60.1° |
| C1 | C2 | C3 | H32 | 60.2° | 59.9° |
| C1 | C2 | O21 | HO2 | 180.0° | 60.0° |
| H11 | C1 | O11 | P | 45.3° | 60.0° |
| H11 | C1 | C2 | C3 | 152.1° | 60.1° |
| H11 | C1 | C2 | O21 | 87.6° | 180.0° |
| H11 | C1 | C2 | H21 | 34.5° | 60.1° |
| H12A | C1 | O11 | P | 64.1° | 59.9° |
| H12A | C1 | C2 | C3 | 42.6° | 59.9° |
| H12A | C1 | C2 | O21 | 163.0° | 60.1° |
| H12A | C1 | C2 | H21 | 75.0° | 180.0° |
| O11 | P | O12 | O14 | 117.4° | 120.1° |
| O11 | P | O12 | O13 | 123.0° | 120.0° |
| O11 | P | O12 | C11 | 6.6° | 180.0° |
| O11 | P | O14 | O13 | 126.0° | 119.9° |
| O11 | P | O14 | HO4 | 180.0° | 60.0° |
| O12 | P | O14 | O13 | 124.6° | 120.0° |
| O12 | P | O14 | HO4 | 70.6° | 60.1° |
| P | O12 | C11 | CA | 153.1° | 180.0° |
| P | O12 | C11 | H111 | 81.7° | 60.0° |
| P | O12 | C11 | H112 | 27.8° | 59.9° |
| C11 | O12 | P | O14 | 124.0° | 60.0° |
| C11 | O12 | P | O13 | 116.4° | 60.0° |
| O12 | C11 | CA | H111 | 125.2° | 120.1° |
| O12 | C11 | CA | H112 | 125.2° | 120.0° |
| O12 | C11 | H111 | H112 | 115.0° | 120.0° |
| O12 | C11 | CA | N | 34.0° | 60.0° |
| O12 | C11 | CA | C | 106.1° | 180.0° |
| O12 | C11 | CA | HA | 154.7° | 60.0° |
| C3 | C2 | O21 | H21 | 117.8° | 120.0° |
| C2 | C3 | O31 | H31 | 125.2° | 119.9° |
| C2 | C3 | O31 | H32 | 125.2° | 120.1° |
| C2 | C3 | H31 | H32 | 117.1° | 120.0° |
| C2 | C3 | O31 | HO1 | 179.9° | 180.0° |
| C3 | C2 | O21 | HO2 | 55.7° | 60.0° |
| O21 | C2 | C3 | O31 | 55.3° | 60.0° |
| O21 | C2 | C3 | H31 | 70.0° | 180.0° |
| O21 | C2 | C3 | H32 | 179.5° | 60.0° |
| H21 | C2 | C3 | O31 | 177.4° | 59.9° |
| H21 | C2 | C3 | H31 | 52.1° | 60.1° |
| H21 | C2 | C3 | H32 | 57.4° | 180.0° |
| H21 | C2 | O21 | HO2 | 62.2° | 180.0° |
| O31 | C3 | H31 | H32 | 117.2° | 120.0° |
| H31 | C3 | O31 | HO1 | 54.8° | 60.0° |
| H32 | C3 | O31 | HO1 | 54.7° | 59.9° |
| O13 | P | O14 | HO4 | 54.0° | 180.0° |
| CA | C11 | H111 | H112 | 115.1° | 119.9° |
| C11 | CA | N | C | 133.9° | 120.0° |
| C11 | CA | N | HA | 129.6° | 120.0° |
| C11 | CA | C | HA | 124.2° | 120.1° |
| C11 | CA | N | H2 | 180.0° | 60.0° |
| C11 | CA | N | H | 54.7° | 53.7° |
| C11 | CA | C | OXT | 128.8° | 90.0° |
| C11 | CA | C | O | 58.7° | 89.9° |
| H111 | C11 | CA | N | 91.2° | 60.1° |
| H111 | C11 | CA | C | 128.7° | 59.9° |
| H111 | C11 | CA | HA | 29.5° | 180.0° |
| H112 | C11 | CA | N | 159.3° | 180.0° |
| H112 | C11 | CA | C | 19.2° | 60.0° |
| H112 | C11 | CA | HA | 80.1° | 60.1° |
| N | CA | C | HA | 111.6° | 120.0° |
| CA | N | H2 | H | 125.3° | 113.8° |
| N | CA | C | OXT | 4.6° | 150.0° |
| N | CA | C | O | 177.1° | 30.0° |
| C | CA | N | H2 | 46.1° | 60.0° |
| C | CA | N | H | 171.4° | 173.8° |
| CA | C | OXT | O | 173.2° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | N | H2 | 50.4° | 180.0° |
| HA | CA | N | H | 74.9° | 66.2° |
| HA | CA | C | OXT | 107.0° | 30.1° |
| HA | CA | C | O | 65.5° | 150.0° |
| O | C | OXT | HXT | 6.8° | 0.0° |
