XP8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.53Å | |
| OXT | C | doub | 1.21Å | 1.26Å | |
| C | O | sing | 1.34Å | 1.28Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| N | CA | sing | 1.46Å | 1.45Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| O3P | P | doub | 1.48Å | 1.54Å | |
| O1P | P | sing | 1.61Å | 1.57Å | |
| O4P | P | sing | 1.61Å | 1.62Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| S8 | C8 | sing | 1.81Å | 1.81Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| S8 | HS8 | sing | 1.34Å | 1.30Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.53Å | 1.52Å | |
| O4P | CB | sing | 1.43Å | 1.45Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG | HG | sing | 1.09Å | 1.10Å | |
| CG | HGA | sing | 1.09Å | 1.10Å | |
| CG | HGB | sing | 1.09Å | 1.10Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | OXT | 119.1° | 120.0° |
| CA | C | O | 118.0° | 120.0° |
| C | CA | N | 110.9° | 109.5° |
| C | CA | CB | 109.4° | 109.5° |
| C | CA | HA | 110.1° | 109.5° |
| OXT | C | O | 122.9° | 120.0° |
| C | O | HO | 109.5° | 117.0° |
| C1 | N | CA | 124.4° | 120.0° |
| C1 | N | HN | 117.8° | 120.0° |
| N | C1 | C2 | 116.4° | 120.0° |
| N | C1 | O1 | 122.3° | 120.0° |
| CA | N | HN | 117.8° | 120.0° |
| N | CA | CB | 113.5° | 109.5° |
| N | CA | HA | 105.6° | 109.4° |
| O3P | P | O1P | 112.2° | 109.5° |
| O3P | P | O4P | 105.4° | 109.5° |
| O3P | P | O2P | 112.3° | 109.5° |
| O1P | P | O4P | 102.2° | 109.5° |
| O1P | P | O2P | 115.7° | 109.5° |
| P | O1P | HO1P | 109.5° | 114.0° |
| O4P | P | O2P | 108.0° | 109.5° |
| P | O4P | CB | 120.4° | 123.0° |
| P | O2P | HO2P | 109.5° | 114.0° |
| C2 | C1 | O1 | 121.3° | 120.0° |
| C1 | C2 | C3 | 110.4° | 109.5° |
| C1 | C2 | H2 | 109.2° | 109.4° |
| C1 | C2 | H2A | 109.2° | 109.5° |
| C3 | C2 | H2 | 109.2° | 109.4° |
| C3 | C2 | H2A | 109.2° | 109.5° |
| C2 | C3 | C4 | 116.8° | 109.5° |
| C2 | C3 | H3 | 107.1° | 109.5° |
| C2 | C3 | H3A | 107.1° | 109.5° |
| H2 | C2 | H2A | 109.8° | 109.5° |
| C4 | C3 | H3 | 107.1° | 109.5° |
| C4 | C3 | H3A | 107.1° | 109.4° |
| C3 | C4 | C5 | 115.1° | 109.5° |
| C3 | C4 | H4 | 107.6° | 109.4° |
| C3 | C4 | H4A | 107.7° | 109.5° |
| H3 | C3 | H3A | 111.7° | 109.5° |
| C5 | C4 | H4 | 107.6° | 109.4° |
| C5 | C4 | H4A | 107.6° | 109.5° |
| C4 | C5 | C6 | 111.6° | 109.5° |
| C4 | C5 | H5 | 108.8° | 109.5° |
| C4 | C5 | H5A | 108.8° | 109.5° |
| H4 | C4 | H4A | 111.2° | 109.5° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| C6 | C5 | H5A | 108.8° | 109.5° |
| C5 | C6 | C7 | 111.6° | 109.5° |
| C5 | C6 | H6 | 108.7° | 109.5° |
| C5 | C6 | H6A | 108.8° | 109.4° |
| H5 | C5 | H5A | 110.2° | 109.4° |
| C7 | C6 | H6 | 108.8° | 109.5° |
| C7 | C6 | H6A | 108.8° | 109.5° |
| C6 | C7 | C8 | 111.2° | 109.5° |
| C6 | C7 | H7 | 108.9° | 109.5° |
| C6 | C7 | H7A | 108.9° | 109.4° |
| H6 | C6 | H6A | 110.2° | 109.5° |
| C8 | C7 | H7 | 108.9° | 109.5° |
| C8 | C7 | H7A | 108.9° | 109.5° |
| C7 | C8 | S8 | 113.6° | 109.5° |
| C7 | C8 | H8 | 108.1° | 109.5° |
| C7 | C8 | H8A | 108.1° | 109.5° |
| H7 | C7 | H7A | 110.0° | 109.5° |
| S8 | C8 | H8 | 108.1° | 109.5° |
| S8 | C8 | H8A | 108.1° | 109.5° |
| C8 | S8 | HS8 | 102.0° | 103.0° |
| H8 | C8 | H8A | 110.8° | 109.4° |
| CB | CA | HA | 107.2° | 109.5° |
| CA | CB | CG | 111.1° | 109.5° |
| CA | CB | O4P | 110.0° | 109.5° |
| CA | CB | HB | 108.0° | 109.5° |
| CG | CB | O4P | 109.5° | 109.5° |
| CG | CB | HB | 108.5° | 109.5° |
| CB | CG | HG | 109.5° | 109.4° |
| CB | CG | HGA | 109.5° | 109.4° |
| CB | CG | HGB | 109.4° | 109.5° |
| O4P | CB | HB | 109.6° | 109.5° |
| HG | CG | HGA | 109.5° | 109.4° |
| HG | CG | HGB | 109.5° | 109.5° |
| HGA | CG | HGB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | OXT | O | 178.8° | 179.7° |
| C | CA | N | C1 | 137.8° | 84.9° |
| C | CA | N | CB | 123.7° | 120.0° |
| C | CA | N | HA | 119.2° | 120.0° |
| C | CA | N | HN | 42.2° | 95.0° |
| CA | C | O | HO | 178.8° | 179.9° |
| C | CA | CB | HA | 119.3° | 120.0° |
| C | CA | CB | CG | 178.5° | 175.0° |
| C | CA | CB | O4P | 57.0° | 55.0° |
| C | CA | CB | HB | 62.6° | 65.0° |
| OXT | C | CA | N | 27.1° | 0.3° |
| OXT | C | O | HO | 0.0° | 0.2° |
| OXT | C | CA | CB | 98.9° | 120.3° |
| OXT | C | CA | HA | 143.6° | 119.7° |
| O | C | CA | N | 151.7° | 180.0° |
| O | C | CA | CB | 82.3° | 60.0° |
| O | C | CA | HA | 35.2° | 60.0° |
| C1 | N | CA | HN | 180.0° | 179.9° |
| N | C1 | C2 | O1 | 179.8° | 179.9° |
| N | C1 | C2 | C3 | 148.9° | 180.0° |
| N | C1 | C2 | H2 | 28.9° | 60.1° |
| N | C1 | C2 | H2A | 91.1° | 59.9° |
| C1 | N | CA | CB | 98.5° | 155.0° |
| C1 | N | CA | HA | 18.6° | 35.1° |
| CA | N | C1 | C2 | 177.1° | 180.0° |
| CA | N | C1 | O1 | 3.1° | 0.1° |
| N | CA | CB | HA | 116.2° | 119.9° |
| N | CA | CB | CG | 54.1° | 55.0° |
| N | CA | CB | O4P | 67.4° | 65.0° |
| N | CA | CB | HB | 173.0° | 175.0° |
| HN | N | C1 | C2 | 2.9° | 0.1° |
| HN | N | C1 | O1 | 176.9° | 180.0° |
| HN | N | CA | CB | 81.5° | 25.1° |
| HN | N | CA | HA | 161.4° | 145.0° |
| O3P | P | O1P | O4P | 112.4° | 120.0° |
| O3P | P | O1P | O2P | 130.5° | 120.0° |
| O3P | P | O4P | O2P | 120.2° | 120.0° |
| O3P | P | O4P | CB | 76.5° | 55.0° |
| O3P | P | O1P | HO1P | 0.0° | 180.0° |
| O3P | P | O2P | HO2P | 0.0° | 60.0° |
| O1P | P | O4P | O2P | 122.5° | 120.0° |
| O1P | P | O4P | CB | 166.1° | 65.0° |
| O1P | P | O2P | HO2P | 130.5° | 60.0° |
| P | O4P | CB | CA | 134.8° | 120.0° |
| P | O4P | CB | CG | 102.8° | 120.0° |
| P | O4P | CB | HB | 16.2° | 0.0° |
| O4P | P | O1P | HO1P | 112.4° | 60.0° |
| O4P | P | O2P | HO2P | 115.7° | 180.0° |
| O2P | P | O4P | CB | 43.7° | 175.0° |
| O2P | P | O1P | HO1P | 130.5° | 60.1° |
| C1 | C2 | C3 | H2 | 120.0° | 119.9° |
| C1 | C2 | C3 | H2A | 120.0° | 120.1° |
| C1 | C2 | H2 | H2A | 119.6° | 120.0° |
| C1 | C2 | C3 | C4 | 164.6° | 180.0° |
| C1 | C2 | C3 | H3 | 75.4° | 60.0° |
| C1 | C2 | C3 | H3A | 44.6° | 60.0° |
| O1 | C1 | C2 | C3 | 31.3° | 0.1° |
| O1 | C1 | C2 | H2 | 151.3° | 120.0° |
| O1 | C1 | C2 | H2A | 88.7° | 120.0° |
| C3 | C2 | H2 | H2A | 119.6° | 120.1° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 117.0° | 120.0° |
| C2 | C3 | C4 | C5 | 47.7° | 180.0° |
| C2 | C3 | C4 | H4 | 167.7° | 60.1° |
| C2 | C3 | C4 | H4A | 72.3° | 60.0° |
| H2 | C2 | C3 | C4 | 44.6° | 60.1° |
| H2 | C2 | C3 | H3 | 164.6° | 179.9° |
| H2 | C2 | C3 | H3A | 75.4° | 59.9° |
| H2A | C2 | C3 | C4 | 75.4° | 60.0° |
| H2A | C2 | C3 | H3 | 44.6° | 60.0° |
| H2A | C2 | C3 | H3A | 164.6° | 180.0° |
| C4 | C3 | H3 | H3A | 117.0° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 117.7° | 120.0° |
| C3 | C4 | C5 | C6 | 66.6° | 180.0° |
| C3 | C4 | C5 | H5 | 173.4° | 60.0° |
| C3 | C4 | C5 | H5A | 53.4° | 60.0° |
| H3 | C3 | C4 | C5 | 72.3° | 60.0° |
| H3 | C3 | C4 | H4 | 47.7° | 180.0° |
| H3 | C3 | C4 | H4A | 167.7° | 60.0° |
| H3A | C3 | C4 | C5 | 167.7° | 60.0° |
| H3A | C3 | C4 | H4 | 72.3° | 60.0° |
| H3A | C3 | C4 | H4A | 47.7° | 180.0° |
| C5 | C4 | H4 | H4A | 117.7° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 120.1° |
| C4 | C5 | H5 | H5A | 119.1° | 120.0° |
| C4 | C5 | C6 | C7 | 71.8° | 180.0° |
| C4 | C5 | C6 | H6 | 168.3° | 60.0° |
| C4 | C5 | C6 | H6A | 48.3° | 60.0° |
| H4 | C4 | C5 | C6 | 53.4° | 60.0° |
| H4 | C4 | C5 | H5 | 66.6° | 180.0° |
| H4 | C4 | C5 | H5A | 173.4° | 60.0° |
| H4A | C4 | C5 | C6 | 173.4° | 60.0° |
| H4A | C4 | C5 | H5 | 53.4° | 60.0° |
| H4A | C4 | C5 | H5A | 66.6° | 180.0° |
| C6 | C5 | H5 | H5A | 119.1° | 119.9° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 120.0° | 119.9° |
| C5 | C6 | H6 | H6A | 119.1° | 119.9° |
| C5 | C6 | C7 | C8 | 158.9° | 180.0° |
| C5 | C6 | C7 | H7 | 81.1° | 60.0° |
| C5 | C6 | C7 | H7A | 38.9° | 60.0° |
| H5 | C5 | C6 | C7 | 48.2° | 60.0° |
| H5 | C5 | C6 | H6 | 71.7° | 180.0° |
| H5 | C5 | C6 | H6A | 168.3° | 60.0° |
| H5A | C5 | C6 | C7 | 168.2° | 60.0° |
| H5A | C5 | C6 | H6 | 48.2° | 60.1° |
| H5A | C5 | C6 | H6A | 71.8° | 179.9° |
| C7 | C6 | H6 | H6A | 119.1° | 120.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7A | 119.3° | 120.0° |
| C6 | C7 | C8 | S8 | 90.5° | 180.0° |
| C6 | C7 | C8 | H8 | 29.5° | 60.0° |
| C6 | C7 | C8 | H8A | 149.5° | 60.0° |
| H6 | C6 | C7 | C8 | 38.9° | 60.0° |
| H6 | C6 | C7 | H7 | 159.0° | 180.0° |
| H6 | C6 | C7 | H7A | 81.0° | 60.0° |
| H6A | C6 | C7 | C8 | 81.1° | 60.1° |
| H6A | C6 | C7 | H7 | 38.9° | 60.0° |
| H6A | C6 | C7 | H7A | 158.9° | 180.0° |
| C8 | C7 | H7 | H7A | 119.3° | 120.0° |
| C7 | C8 | S8 | H8 | 120.0° | 120.0° |
| C7 | C8 | S8 | H8A | 120.0° | 120.0° |
| C7 | C8 | H8 | H8A | 118.3° | 120.0° |
| C7 | C8 | S8 | HS8 | 180.0° | 180.0° |
| H7 | C7 | C8 | S8 | 149.5° | 60.0° |
| H7 | C7 | C8 | H8 | 90.5° | 180.0° |
| H7 | C7 | C8 | H8A | 29.5° | 60.0° |
| H7A | C7 | C8 | S8 | 29.5° | 60.0° |
| H7A | C7 | C8 | H8 | 149.5° | 60.0° |
| H7A | C7 | C8 | H8A | 90.5° | 180.0° |
| S8 | C8 | H8 | H8A | 118.3° | 120.0° |
| H8 | C8 | S8 | HS8 | 60.0° | 60.0° |
| H8A | C8 | S8 | HS8 | 60.0° | 60.0° |
| CA | CB | CG | O4P | 121.8° | 120.0° |
| CA | CB | CG | HB | 118.6° | 120.0° |
| CA | CB | O4P | HB | 118.6° | 120.0° |
| CA | CB | CG | HG | 180.0° | 180.0° |
| CA | CB | CG | HGA | 60.0° | 60.0° |
| CA | CB | CG | HGB | 60.0° | 60.0° |
| HA | CA | CB | CG | 62.2° | 65.0° |
| HA | CA | CB | O4P | 176.4° | 175.0° |
| HA | CA | CB | HB | 56.8° | 55.0° |
| CG | CB | O4P | HB | 119.0° | 120.0° |
| CB | CG | HG | HGA | 120.0° | 119.9° |
| CB | CG | HG | HGB | 120.0° | 120.0° |
| CB | CG | HGA | HGB | 120.0° | 120.0° |
| O4P | CB | CG | HG | 58.3° | 60.0° |
| O4P | CB | CG | HGA | 178.3° | 180.0° |
| O4P | CB | CG | HGB | 61.7° | 60.0° |
| HB | CB | CG | HG | 61.4° | 60.0° |
| HB | CB | CG | HGA | 58.6° | 60.0° |
| HB | CB | CG | HGB | 178.6° | 180.0° |
| HG | CG | HGA | HGB | 120.0° | 120.1° |
