XPH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CZ | CE1 | doub | 1.38Å | 1.38Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.38Å | Aromatic |
| CE2 | CD2 | doub | 1.38Å | 1.38Å | Aromatic |
| CD1 | CG | doub | 1.38Å | 1.38Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.38Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.49Å | |
| CB | CA | sing | 1.53Å | 1.48Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | P | sing | 1.82Å | 1.81Å | |
| P | O2 | doub | 1.48Å | 1.50Å | |
| P | O3 | sing | 1.61Å | 1.53Å | |
| P | O1 | sing | 1.61Å | 1.79Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | HG | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE1 | CZ | CE2 | 121.7° | 120.0° |
| CZ | CE1 | CD1 | 119.7° | 120.0° |
| CE1 | CZ | HG | 119.1° | 120.1° |
| CZ | CE1 | HE1 | 120.1° | 120.0° |
| CZ | CE2 | CD2 | 118.5° | 120.0° |
| CZ | CE2 | HE2 | 120.7° | 120.0° |
| CE2 | CZ | HG | 119.1° | 120.0° |
| CE1 | CD1 | CG | 118.7° | 120.0° |
| CD1 | CE1 | HE1 | 120.1° | 120.0° |
| CE1 | CD1 | HD1 | 120.7° | 120.0° |
| CE2 | CD2 | CG | 119.7° | 119.9° |
| CE2 | CD2 | HD2 | 120.1° | 120.0° |
| CD2 | CE2 | HE2 | 120.8° | 120.0° |
| CD1 | CG | CD2 | 121.7° | 120.0° |
| CD1 | CG | CB | 121.1° | 120.0° |
| CG | CD1 | HD1 | 120.7° | 120.0° |
| CD2 | CG | CB | 117.3° | 120.0° |
| CG | CD2 | HD2 | 120.1° | 120.0° |
| CG | CB | CA | 94.0° | 109.5° |
| CG | CB | HB3 | 113.2° | 109.4° |
| CG | CB | HB2 | 113.2° | 109.4° |
| CB | CA | N | 110.1° | 109.5° |
| CB | CA | P | 109.8° | 109.5° |
| CB | CA | HA | 108.8° | 109.5° |
| CA | CB | HB3 | 113.2° | 109.5° |
| CA | CB | HB2 | 113.2° | 109.5° |
| N | CA | P | 113.6° | 109.5° |
| N | CA | HA | 108.9° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | P | O2 | 119.2° | 109.5° |
| CA | P | O3 | 108.1° | 109.5° |
| CA | P | O1 | 90.0° | 109.5° |
| P | CA | HA | 105.3° | 109.5° |
| O2 | P | O3 | 120.5° | 109.5° |
| O2 | P | O1 | 121.8° | 109.5° |
| O3 | P | O1 | 90.2° | 109.5° |
| P | O3 | H3 | 109.5° | 114.0° |
| P | O1 | H1 | 109.5° | 114.0° |
| HB3 | CB | HB2 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE1 | CZ | CE2 | HG | 180.0° | 179.8° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.8° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.1° |
| CZ | CE1 | CD1 | CG | 0.8° | 0.5° |
| CE1 | CZ | CE2 | HE2 | 179.9° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 179.2° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.6° | 0.2° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.9° |
| CZ | CE2 | CD2 | CG | 0.2° | 0.1° |
| CZ | CE2 | CD2 | HD2 | 179.8° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.4° | 180.0° |
| CE1 | CD1 | CG | HD1 | 180.0° | 179.4° |
| CE1 | CD1 | CG | CD2 | 0.5° | 0.5° |
| CE1 | CD1 | CG | CB | 179.3° | 179.7° |
| CD1 | CE1 | CZ | HG | 179.4° | 180.0° |
| CE2 | CD2 | CG | CD1 | 0.0° | 0.2° |
| CE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CE2 | CD2 | CG | CB | 179.9° | 180.0° |
| CD2 | CE2 | CZ | HG | 179.9° | 179.7° |
| CD1 | CG | CD2 | CB | 179.8° | 179.8° |
| CD1 | CG | CB | CA | 171.6° | 90.3° |
| CD1 | CG | CB | HB3 | 71.0° | 149.7° |
| CD1 | CG | CB | HB2 | 54.3° | 29.7° |
| CD1 | CG | CD2 | HD2 | 180.0° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.2° | 179.7° |
| CD2 | CG | CB | CA | 8.2° | 90.0° |
| CD2 | CG | CB | HB3 | 109.1° | 30.0° |
| CD2 | CG | CB | HB2 | 125.6° | 150.0° |
| CG | CD2 | CE2 | HE2 | 179.8° | 180.0° |
| CD2 | CG | CD1 | HD1 | 179.5° | 180.0° |
| CG | CB | CA | HB3 | 117.3° | 119.9° |
| CG | CB | CA | HB2 | 117.4° | 120.0° |
| CG | CB | CA | N | 106.5° | 180.0° |
| CG | CB | CA | P | 127.7° | 60.0° |
| CG | CB | CA | HA | 12.9° | 60.0° |
| CG | CB | HB3 | HB2 | 127.3° | 119.9° |
| CB | CG | CD2 | HD2 | 0.1° | 0.0° |
| CB | CG | CD1 | HD1 | 0.7° | 0.3° |
| CB | CA | N | P | 123.6° | 120.0° |
| CB | CA | N | HA | 119.3° | 119.9° |
| CB | CA | P | HA | 117.0° | 120.0° |
| CB | CA | P | O2 | 29.5° | 55.0° |
| CB | CA | P | O3 | 113.1° | 175.0° |
| CB | CA | P | O1 | 156.6° | 65.0° |
| CA | CB | HB3 | HB2 | 127.3° | 120.1° |
| CB | CA | N | H | 180.0° | 60.1° |
| CB | CA | N | H2 | 60.0° | 176.0° |
| N | CA | P | HA | 119.2° | 120.0° |
| N | CA | P | O2 | 153.3° | 65.0° |
| N | CA | P | O3 | 10.6° | 55.0° |
| N | CA | P | O1 | 79.6° | 175.0° |
| N | CA | CB | HB3 | 10.9° | 60.1° |
| N | CA | CB | HB2 | 136.2° | 60.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| CA | P | O2 | O3 | 138.0° | 120.0° |
| CA | P | O2 | O1 | 110.3° | 120.0° |
| CA | P | O3 | O1 | 90.1° | 120.0° |
| CA | P | O3 | H3 | 142.1° | 180.0° |
| P | CA | CB | HB3 | 115.0° | 59.9° |
| P | CA | CB | HB2 | 10.3° | 180.0° |
| P | CA | N | H | 56.3° | 59.9° |
| CA | P | O1 | H1 | 125.0° | 60.1° |
| P | CA | N | H2 | 176.4° | 63.9° |
| O2 | P | O3 | O1 | 127.8° | 120.0° |
| O2 | P | O3 | H3 | 0.0° | 60.0° |
| O2 | P | CA | HA | 87.5° | 175.0° |
| O2 | P | O1 | H1 | 0.0° | 179.9° |
| O3 | P | CA | HA | 129.8° | 65.0° |
| O3 | P | O1 | H1 | 126.9° | 59.9° |
| O1 | P | O3 | H3 | 127.8° | 60.0° |
| O1 | P | CA | HA | 39.6° | 55.0° |
| HA | CA | CB | HB3 | 130.2° | 180.0° |
| HA | CA | CB | HB2 | 104.5° | 59.9° |
| HA | CA | N | H | 60.7° | 180.0° |
| HA | CA | N | H2 | 59.3° | 56.1° |
| HD2 | CD2 | CE2 | HE2 | 0.2° | 0.1° |
| HE2 | CE2 | CZ | HG | 0.1° | 0.2° |
| HG | CZ | CE1 | HE1 | 0.6° | 0.2° |
| HE1 | CE1 | CD1 | HD1 | 0.8° | 0.3° |
