ILP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.56Å | |
| P | O3P | sing | 1.61Å | 1.50Å | |
| P | O4P | sing | 1.61Å | 1.60Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O4P | C5A | sing | 1.43Å | 1.43Å | |
| C5A | C5 | sing | 1.51Å | 1.48Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.46Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.39Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| C6 | HG | sing | 1.08Å | 1.08Å | |
| C2 | C2A | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| C2A | H2A3 | sing | 1.09Å | 1.10Å | |
| C3 | O3 | sing | 1.36Å | 1.32Å | |
| C3 | C4 | doub | 1.39Å | 1.46Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C4A | sing | 1.51Å | 1.66Å | |
| C4A | N | sing | 1.47Å | 1.41Å | |
| C4A | H4A1 | sing | 1.09Å | 1.10Å | |
| C4A | H4A2 | sing | 1.09Å | 1.10Å | |
| N | CA | sing | 1.47Å | 1.39Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG2 | sing | 1.53Å | 1.50Å | |
| CB | CG1 | sing | 1.53Å | 1.56Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.53Å | 1.55Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.24Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O2P | 108.4° | 109.5° |
| O1P | P | O3P | 117.7° | 109.5° |
| O1P | P | O4P | 112.7° | 109.4° |
| O2P | P | O3P | 108.7° | 109.5° |
| O2P | P | O4P | 100.5° | 109.5° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| O3P | P | O4P | 107.4° | 109.4° |
| P | O3P | HOP3 | 109.5° | 114.0° |
| P | O4P | C5A | 121.6° | 123.0° |
| O4P | C5A | C5 | 111.8° | 109.5° |
| O4P | C5A | H5A1 | 108.7° | 109.5° |
| O4P | C5A | H5A2 | 108.2° | 109.5° |
| C5 | C5A | H5A1 | 108.7° | 109.4° |
| C5 | C5A | H5A2 | 108.2° | 109.4° |
| C5A | C5 | C6 | 116.1° | 120.4° |
| C5A | C5 | C4 | 122.9° | 120.4° |
| H5A1 | C5A | H5A2 | 111.3° | 109.5° |
| C6 | C5 | C4 | 120.9° | 119.2° |
| C5 | C6 | N1 | 120.8° | 120.9° |
| C5 | C6 | HG | 119.6° | 119.6° |
| C5 | C4 | C3 | 114.3° | 118.4° |
| C5 | C4 | C4A | 120.8° | 120.8° |
| C6 | N1 | C2 | 122.9° | 121.8° |
| N1 | C6 | HG | 119.6° | 119.5° |
| N1 | C2 | C2A | 121.3° | 119.7° |
| N1 | C2 | C3 | 119.2° | 120.7° |
| C2A | C2 | C3 | 119.5° | 119.7° |
| C2 | C2A | H2A1 | 109.5° | 109.4° |
| C2 | C2A | H2A2 | 109.5° | 109.5° |
| C2 | C2A | H2A3 | 109.4° | 109.5° |
| C2 | C3 | O3 | 119.6° | 120.4° |
| C2 | C3 | C4 | 121.8° | 119.0° |
| H2A1 | C2A | H2A2 | 109.5° | 109.5° |
| H2A1 | C2A | H2A3 | 109.5° | 109.4° |
| H2A2 | C2A | H2A3 | 109.5° | 109.5° |
| O3 | C3 | C4 | 118.5° | 120.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C4A | 124.9° | 120.8° |
| C4 | C4A | N | 117.1° | 109.5° |
| C4 | C4A | H4A1 | 107.0° | 109.5° |
| C4 | C4A | H4A2 | 105.2° | 109.5° |
| N | C4A | H4A1 | 107.0° | 109.5° |
| N | C4A | H4A2 | 105.2° | 109.4° |
| C4A | N | CA | 121.2° | 111.0° |
| C4A | N | HN2 | 105.7° | 111.0° |
| H4A1 | C4A | H4A2 | 115.7° | 109.5° |
| CA | N | HN2 | 105.7° | 111.0° |
| N | CA | CB | 119.8° | 109.5° |
| N | CA | C | 119.0° | 109.5° |
| N | CA | HA | 93.5° | 109.5° |
| CB | CA | C | 118.3° | 109.5° |
| CB | CA | HA | 95.5° | 109.5° |
| CA | CB | CG2 | 111.0° | 109.5° |
| CA | CB | CG1 | 109.7° | 109.4° |
| CA | CB | HB | 106.8° | 109.4° |
| C | CA | HA | 97.9° | 109.4° |
| CA | C | O | 118.4° | 120.0° |
| CA | C | OXT | 119.6° | 120.0° |
| CG2 | CB | CG1 | 104.3° | 109.5° |
| CG2 | CB | HB | 111.9° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.4° | 109.5° |
| CB | CG2 | HG23 | 109.5° | 109.5° |
| CG1 | CB | HB | 113.1° | 109.5° |
| CB | CG1 | CD1 | 115.6° | 109.5° |
| CB | CG1 | HG11 | 107.5° | 109.5° |
| CB | CG1 | HG12 | 106.1° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG21 | CG2 | HG23 | 109.4° | 109.4° |
| HG22 | CG2 | HG23 | 109.5° | 109.4° |
| CD1 | CG1 | HG11 | 107.5° | 109.4° |
| CD1 | CG1 | HG12 | 106.1° | 109.5° |
| CG1 | CD1 | HD11 | 109.5° | 109.4° |
| CG1 | CD1 | HD12 | 109.5° | 109.5° |
| CG1 | CD1 | HD13 | 109.5° | 109.4° |
| HG11 | CG1 | HG12 | 114.4° | 109.5° |
| HD11 | CD1 | HD12 | 109.4° | 109.5° |
| HD11 | CD1 | HD13 | 109.4° | 109.5° |
| HD12 | CD1 | HD13 | 109.5° | 109.5° |
| O | C | OXT | 121.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O2P | O3P | 129.0° | 120.0° |
| O1P | P | O2P | O4P | 118.4° | 120.0° |
| O1P | P | O3P | O4P | 128.5° | 119.9° |
| O1P | P | O2P | HOP2 | 76.1° | 60.0° |
| O1P | P | O3P | HOP3 | 70.3° | 180.0° |
| O1P | P | O4P | C5A | 60.1° | 55.0° |
| O2P | P | O3P | O4P | 107.9° | 120.0° |
| O2P | P | O3P | HOP3 | 53.3° | 59.9° |
| O2P | P | O4P | C5A | 175.3° | 175.0° |
| O3P | P | O2P | HOP2 | 52.9° | 60.0° |
| O3P | P | O4P | C5A | 71.2° | 64.9° |
| O4P | P | O2P | HOP2 | 165.5° | 180.0° |
| O4P | P | O3P | HOP3 | 161.2° | 60.1° |
| P | O4P | C5A | C5 | 152.1° | 180.0° |
| P | O4P | C5A | H5A1 | 87.9° | 60.0° |
| P | O4P | C5A | H5A2 | 33.1° | 60.1° |
| O4P | C5A | C5 | H5A1 | 120.0° | 120.0° |
| O4P | C5A | C5 | H5A2 | 119.0° | 120.0° |
| O4P | C5A | H5A1 | H5A2 | 119.1° | 120.0° |
| O4P | C5A | C5 | C6 | 101.5° | 0.0° |
| O4P | C5A | C5 | C4 | 77.0° | 179.8° |
| C5 | C5A | H5A1 | H5A2 | 119.0° | 120.0° |
| C5A | C5 | C6 | C4 | 178.5° | 179.7° |
| C5A | C5 | C6 | N1 | 179.6° | 180.0° |
| C5A | C5 | C6 | HG | 0.4° | 0.0° |
| C5A | C5 | C4 | C3 | 179.2° | 179.9° |
| C5A | C5 | C4 | C4A | 3.4° | 0.0° |
| H5A1 | C5A | C5 | C6 | 18.5° | 120.0° |
| H5A1 | C5A | C5 | C4 | 163.0° | 59.7° |
| H5A2 | C5A | C5 | C6 | 139.5° | 120.0° |
| H5A2 | C5A | C5 | C4 | 42.1° | 60.3° |
| C5 | C6 | N1 | HG | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 1.7° | 0.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.2° |
| C6 | C5 | C4 | C4A | 178.2° | 179.7° |
| C4 | C5 | C6 | N1 | 1.1° | 0.2° |
| C4 | C5 | C6 | HG | 178.9° | 179.7° |
| C5 | C4 | C3 | C2 | 1.0° | 0.0° |
| C5 | C4 | C3 | O3 | 178.6° | 179.8° |
| C5 | C4 | C3 | C4A | 177.3° | 179.9° |
| C5 | C4 | C4A | N | 153.9° | 90.0° |
| C5 | C4 | C4A | H4A1 | 86.1° | 150.0° |
| C5 | C4 | C4A | H4A2 | 37.4° | 29.9° |
| C6 | N1 | C2 | C2A | 179.5° | 180.0° |
| C6 | N1 | C2 | C3 | 1.8° | 0.3° |
| C2 | N1 | C6 | HG | 178.3° | 180.0° |
| N1 | C2 | C2A | C3 | 178.7° | 179.8° |
| N1 | C2 | C2A | H2A1 | 104.5° | 90.0° |
| N1 | C2 | C2A | H2A2 | 15.5° | 150.0° |
| N1 | C2 | C2A | H2A3 | 135.5° | 30.0° |
| N1 | C2 | C3 | O3 | 178.0° | 180.0° |
| N1 | C2 | C3 | C4 | 1.5° | 0.3° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 120.1° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| C2A | C2 | C3 | O3 | 0.7° | 0.2° |
| C2A | C2 | C3 | C4 | 179.8° | 180.0° |
| C3 | C2 | C2A | H2A1 | 76.8° | 89.8° |
| C3 | C2 | C2A | H2A2 | 163.2° | 30.3° |
| C3 | C2 | C2A | H2A3 | 43.2° | 150.3° |
| C2 | C3 | O3 | C4 | 179.6° | 179.7° |
| C2 | C3 | O3 | HO3 | 30.3° | 90.0° |
| C2 | C3 | C4 | C4A | 178.3° | 180.0° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| O3 | C3 | C4 | C4A | 1.3° | 0.3° |
| C4 | C3 | O3 | HO3 | 149.3° | 90.3° |
| C3 | C4 | C4A | N | 29.0° | 90.1° |
| C3 | C4 | C4A | H4A1 | 91.0° | 29.9° |
| C3 | C4 | C4A | H4A2 | 145.4° | 150.0° |
| C4 | C4A | N | H4A1 | 120.0° | 120.0° |
| C4 | C4A | N | H4A2 | 116.4° | 120.0° |
| C4 | C4A | H4A1 | H4A2 | 116.9° | 120.1° |
| C4 | C4A | N | CA | 138.4° | 180.0° |
| C4 | C4A | N | HN2 | 101.6° | 56.0° |
| N | C4A | H4A1 | H4A2 | 116.9° | 119.9° |
| C4A | N | CA | HN2 | 120.0° | 124.0° |
| C4A | N | CA | CB | 133.8° | 155.0° |
| C4A | N | CA | C | 65.6° | 85.0° |
| C4A | N | CA | HA | 35.4° | 35.0° |
| H4A1 | C4A | N | CA | 18.4° | 60.0° |
| H4A1 | C4A | N | HN2 | 138.4° | 176.1° |
| H4A2 | C4A | N | CA | 105.2° | 60.0° |
| H4A2 | C4A | N | HN2 | 14.8° | 64.0° |
| N | CA | CB | C | 160.7° | 120.0° |
| N | CA | CB | HA | 97.3° | 120.0° |
| N | CA | C | HA | 98.5° | 120.0° |
| N | CA | CB | CG2 | 94.8° | 54.9° |
| N | CA | CB | CG1 | 150.5° | 65.1° |
| N | CA | CB | HB | 27.5° | 174.9° |
| N | CA | C | O | 76.7° | 19.4° |
| N | CA | C | OXT | 97.2° | 160.7° |
| HN2 | N | CA | CB | 106.2° | 81.0° |
| HN2 | N | CA | C | 54.4° | 39.0° |
| HN2 | N | CA | HA | 155.4° | 159.0° |
| CB | CA | C | HA | 100.7° | 120.0° |
| CA | CB | CG2 | CG1 | 118.1° | 120.0° |
| CA | CB | CG2 | HB | 119.2° | 120.0° |
| CA | CB | CG1 | HB | 119.1° | 120.0° |
| CA | CB | CG2 | HG21 | 139.2° | 60.0° |
| CA | CB | CG2 | HG22 | 19.2° | 180.0° |
| CA | CB | CG2 | HG23 | 100.8° | 60.0° |
| CA | CB | CG1 | CD1 | 147.4° | 174.5° |
| CA | CB | CG1 | HG11 | 27.4° | 65.6° |
| CA | CB | CG1 | HG12 | 95.3° | 54.4° |
| CB | CA | C | O | 84.2° | 100.6° |
| CB | CA | C | OXT | 102.0° | 79.3° |
| C | CA | CB | CG2 | 104.6° | 65.1° |
| C | CA | CB | CG1 | 10.2° | 174.9° |
| C | CA | CB | HB | 133.2° | 54.9° |
| CA | C | O | OXT | 173.7° | 179.9° |
| CA | C | OXT | HXT | 173.7° | 180.0° |
| HA | CA | CB | CG2 | 2.5° | 174.9° |
| HA | CA | CB | CG1 | 112.3° | 54.9° |
| HA | CA | CB | HB | 124.8° | 65.0° |
| HA | CA | C | O | 175.2° | 139.4° |
| HA | CA | C | OXT | 1.3° | 40.7° |
| CG2 | CB | CG1 | HB | 121.9° | 120.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.1° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| CG2 | CB | CG1 | CD1 | 28.5° | 65.5° |
| CG2 | CB | CG1 | HG11 | 91.5° | 54.5° |
| CG2 | CB | CG1 | HG12 | 145.7° | 174.5° |
| CG1 | CB | CG2 | HG21 | 102.7° | 60.0° |
| CG1 | CB | CG2 | HG22 | 137.3° | 60.0° |
| CG1 | CB | CG2 | HG23 | 17.2° | 180.0° |
| CB | CG1 | CD1 | HG11 | 120.0° | 120.0° |
| CB | CG1 | CD1 | HG12 | 117.2° | 120.0° |
| CB | CG1 | HG11 | HG12 | 117.5° | 120.0° |
| CB | CG1 | CD1 | HD11 | 2.3° | 60.0° |
| CB | CG1 | CD1 | HD12 | 122.3° | 60.0° |
| CB | CG1 | CD1 | HD13 | 117.7° | 180.0° |
| HB | CB | CG2 | HG21 | 20.0° | 180.0° |
| HB | CB | CG2 | HG22 | 100.0° | 60.0° |
| HB | CB | CG2 | HG23 | 140.0° | 60.0° |
| HB | CB | CG1 | CD1 | 93.4° | 54.5° |
| HB | CB | CG1 | HG11 | 146.6° | 174.5° |
| HB | CB | CG1 | HG12 | 23.8° | 65.5° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| CD1 | CG1 | HG11 | HG12 | 117.5° | 120.0° |
| CG1 | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG1 | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG1 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HG11 | CG1 | CD1 | HD11 | 117.7° | 180.0° |
| HG11 | CG1 | CD1 | HD12 | 2.3° | 60.0° |
| HG11 | CG1 | CD1 | HD13 | 122.3° | 60.0° |
| HG12 | CG1 | CD1 | HD11 | 119.5° | 60.0° |
| HG12 | CG1 | CD1 | HD12 | 120.5° | 180.0° |
| HG12 | CG1 | CD1 | HD13 | 0.5° | 60.0° |
| HD11 | CD1 | HD12 | HD13 | 119.9° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
