0PR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C2A | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.39Å | 1.41Å | 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 | 1.34Å | |
| C3 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C4A | sing | 1.51Å | 1.43Å | |
| C4 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C4A | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C5A | sing | 1.51Å | 1.54Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5A | O4P | sing | 1.43Å | 1.42Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| O4P | P | sing | 1.61Å | 1.61Å | |
| P | O1P | doub | 1.48Å | 1.49Å | |
| P | O2P | sing | 1.61Å | 1.56Å | |
| P | O3P | sing | 1.61Å | 1.45Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| N | CA | sing | 1.47Å | 1.51Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.50Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.39Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | sing | 1.39Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | OH | sing | 1.36Å | 1.38Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C4A | N | sing | 1.47Å | 1.50Å | |
| C4A | HA1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 122.3° | 121.8° |
| N1 | C2 | C2A | 118.3° | 119.6° |
| N1 | C2 | C3 | 118.4° | 120.7° |
| N1 | C6 | C5 | 119.8° | 120.9° |
| N1 | C6 | H6 | 120.1° | 119.6° |
| C2A | C2 | C3 | 123.3° | 119.7° |
| C2 | C2A | H2A1 | 109.5° | 109.5° |
| C2 | C2A | H2A2 | 109.5° | 109.5° |
| C2 | C2A | H2A3 | 109.5° | 109.5° |
| C2 | C3 | O3 | 116.2° | 120.5° |
| C2 | C3 | C4 | 122.7° | 119.1° |
| H2A1 | C2A | H2A2 | 109.5° | 109.5° |
| H2A1 | C2A | H2A3 | 109.4° | 109.4° |
| H2A2 | C2A | H2A3 | 109.5° | 109.4° |
| O3 | C3 | C4 | 121.1° | 120.5° |
| C3 | O3 | HO3 | 109.5° | 114.1° |
| C3 | C4 | C4A | 119.5° | 120.8° |
| C3 | C4 | C5 | 115.5° | 118.4° |
| C4A | C4 | C5 | 124.9° | 120.8° |
| C4 | C4A | H4A | 108.9° | 109.5° |
| C4 | C4A | N | 111.1° | 109.4° |
| C4 | C4A | HA1 | 108.9° | 109.4° |
| C4 | C5 | C6 | 121.3° | 119.2° |
| C4 | C5 | C5A | 124.0° | 120.4° |
| H4A | C4A | N | 109.0° | 109.5° |
| H4A | C4A | HA1 | 110.0° | 109.5° |
| C6 | C5 | C5A | 114.6° | 120.4° |
| C5 | C6 | H6 | 120.1° | 119.5° |
| C5 | C5A | O4P | 115.8° | 109.5° |
| C5 | C5A | H5A1 | 107.4° | 109.5° |
| C5 | C5A | H5A2 | 107.4° | 109.4° |
| O4P | C5A | H5A1 | 107.4° | 109.5° |
| O4P | C5A | H5A2 | 107.4° | 109.5° |
| C5A | O4P | P | 117.8° | 123.0° |
| H5A1 | C5A | H5A2 | 111.5° | 109.5° |
| O4P | P | O1P | 108.6° | 109.5° |
| O4P | P | O2P | 104.4° | 109.5° |
| O4P | P | O3P | 106.6° | 109.5° |
| O1P | P | O2P | 114.5° | 109.4° |
| O1P | P | O3P | 111.2° | 109.4° |
| O2P | P | O3P | 111.0° | 109.5° |
| P | O2P | HOP2 | 109.5° | 114.0° |
| P | O3P | HOP3 | 109.5° | 114.0° |
| CA | N | H | 105.0° | 111.0° |
| N | CA | C | 106.7° | 109.5° |
| N | CA | CB | 113.8° | 109.4° |
| N | CA | HA | 109.5° | 109.4° |
| CA | N | C4A | 123.6° | 111.0° |
| H | N | C4A | 105.0° | 111.0° |
| C | CA | CB | 112.2° | 109.5° |
| C | CA | HA | 111.1° | 109.5° |
| CA | C | O | 116.0° | 120.0° |
| CA | C | OXT | 120.4° | 120.0° |
| CB | CA | HA | 103.7° | 109.5° |
| CA | CB | CG | 113.1° | 109.5° |
| CA | CB | HB2 | 108.3° | 109.5° |
| CA | CB | HB3 | 108.3° | 109.5° |
| O | C | OXT | 123.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CG | CB | HB2 | 108.2° | 109.5° |
| CG | CB | HB3 | 108.3° | 109.5° |
| CB | CG | CD1 | 120.9° | 119.9° |
| CB | CG | CD2 | 121.0° | 120.0° |
| HB2 | CB | HB3 | 110.7° | 109.5° |
| CD1 | CG | CD2 | 118.0° | 120.1° |
| CG | CD1 | CE1 | 121.6° | 120.0° |
| CG | CD1 | HD1 | 119.2° | 120.0° |
| CG | CD2 | CE2 | 121.3° | 120.1° |
| CG | CD2 | HD2 | 119.3° | 120.0° |
| CE1 | CD1 | HD1 | 119.2° | 120.0° |
| CD1 | CE1 | CZ | 119.4° | 120.0° |
| CD1 | CE1 | HE1 | 120.3° | 120.0° |
| CE2 | CD2 | HD2 | 119.4° | 119.9° |
| CD2 | CE2 | CZ | 119.8° | 119.9° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CZ | CE1 | HE1 | 120.3° | 120.0° |
| CE1 | CZ | CE2 | 119.8° | 119.9° |
| CE1 | CZ | OH | 119.6° | 120.0° |
| CZ | CE2 | HE2 | 120.1° | 120.0° |
| CE2 | CZ | OH | 120.6° | 120.1° |
| CZ | OH | HH | 109.5° | 114.0° |
| N | C4A | HA1 | 109.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C2A | C3 | 179.5° | 179.9° |
| N1 | C2 | C2A | H2A1 | 0.0° | 89.9° |
| N1 | C2 | C2A | H2A2 | 120.0° | 150.0° |
| N1 | C2 | C2A | H2A3 | 120.0° | 30.1° |
| N1 | C2 | C3 | O3 | 179.7° | 179.9° |
| N1 | C2 | C3 | C4 | 1.0° | 0.1° |
| C2 | N1 | C6 | C5 | 0.5° | 0.1° |
| C2 | N1 | C6 | H6 | 179.5° | 180.0° |
| C6 | N1 | C2 | C2A | 179.6° | 180.0° |
| C6 | N1 | C2 | C3 | 0.0° | 0.1° |
| N1 | C6 | C5 | C4 | 1.9° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5A | 178.8° | 180.0° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 120.0° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| C2A | C2 | C3 | O3 | 0.8° | 0.0° |
| C2A | C2 | C3 | C4 | 179.5° | 179.9° |
| C3 | C2 | C2A | H2A1 | 179.6° | 89.9° |
| C3 | C2 | C2A | H2A2 | 59.5° | 30.1° |
| C3 | C2 | C2A | H2A3 | 60.5° | 150.1° |
| C2 | C3 | O3 | C4 | 178.7° | 179.9° |
| C2 | C3 | O3 | HO3 | 133.4° | 90.0° |
| C2 | C3 | C4 | C4A | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 2.3° | 0.0° |
| H2A1 | C2A | H2A2 | H2A3 | 119.9° | 119.9° |
| O3 | C3 | C4 | C4A | 1.1° | 0.1° |
| O3 | C3 | C4 | C5 | 179.1° | 180.0° |
| C4 | C3 | O3 | HO3 | 45.3° | 90.0° |
| C3 | C4 | C4A | C5 | 177.8° | 179.9° |
| C3 | C4 | C4A | H4A | 88.4° | 149.9° |
| C3 | C4 | C5 | C6 | 2.7° | 0.1° |
| C3 | C4 | C5 | C5A | 179.3° | 179.9° |
| C3 | C4 | C4A | N | 31.6° | 90.0° |
| C3 | C4 | C4A | HA1 | 151.6° | 29.9° |
| C4 | C4A | H4A | N | 121.3° | 120.0° |
| C4 | C4A | H4A | HA1 | 119.3° | 120.0° |
| C4A | C4 | C5 | C6 | 179.4° | 180.0° |
| C4A | C4 | C5 | C5A | 2.8° | 0.0° |
| C4 | C4A | N | CA | 151.2° | 180.0° |
| C4 | C4A | N | H | 31.2° | 56.0° |
| C4 | C4A | N | HA1 | 120.0° | 120.0° |
| C5 | C4 | C4A | H4A | 89.4° | 30.0° |
| C4 | C5 | C6 | C5A | 176.8° | 180.0° |
| C4 | C5 | C6 | H6 | 178.0° | 179.9° |
| C4 | C5 | C5A | O4P | 17.9° | 179.9° |
| C4 | C5 | C5A | H5A1 | 137.9° | 60.0° |
| C4 | C5 | C5A | H5A2 | 102.1° | 60.0° |
| C5 | C4 | C4A | N | 150.6° | 90.0° |
| C5 | C4 | C4A | HA1 | 30.6° | 150.0° |
| H4A | C4A | N | CA | 31.2° | 60.0° |
| H4A | C4A | N | H | 88.8° | 64.0° |
| H4A | C4A | N | HA1 | 120.0° | 120.0° |
| C6 | C5 | C5A | O4P | 165.4° | 0.1° |
| C6 | C5 | C5A | H5A1 | 45.3° | 120.0° |
| C6 | C5 | C5A | H5A2 | 74.7° | 120.0° |
| C5A | C5 | C6 | H6 | 1.2° | 0.1° |
| C5 | C5A | O4P | H5A1 | 120.0° | 120.0° |
| C5 | C5A | O4P | H5A2 | 120.0° | 119.9° |
| C5 | C5A | H5A1 | H5A2 | 117.4° | 119.9° |
| C5 | C5A | O4P | P | 163.9° | 180.0° |
| O4P | C5A | H5A1 | H5A2 | 117.4° | 120.0° |
| C5A | O4P | P | O1P | 67.6° | 55.1° |
| C5A | O4P | P | O2P | 169.9° | 175.0° |
| C5A | O4P | P | O3P | 52.3° | 64.9° |
| H5A1 | C5A | O4P | P | 43.9° | 59.9° |
| H5A2 | C5A | O4P | P | 76.1° | 60.1° |
| O4P | P | O1P | O2P | 116.2° | 120.0° |
| O4P | P | O1P | O3P | 116.9° | 120.0° |
| O4P | P | O2P | O3P | 114.5° | 120.1° |
| O4P | P | O2P | HOP2 | 118.6° | 180.0° |
| O4P | P | O3P | HOP3 | 118.2° | 60.0° |
| O1P | P | O2P | O3P | 126.9° | 119.9° |
| O1P | P | O2P | HOP2 | 0.0° | 60.0° |
| O1P | P | O3P | HOP3 | 0.0° | 180.0° |
| O2P | P | O3P | HOP3 | 128.7° | 60.0° |
| O3P | P | O2P | HOP2 | 127.0° | 59.9° |
| CA | N | H | C4A | 131.7° | 123.9° |
| N | CA | C | CB | 125.2° | 120.0° |
| N | CA | C | HA | 119.3° | 120.0° |
| N | CA | CB | HA | 118.8° | 120.0° |
| N | CA | C | O | 13.0° | 0.0° |
| N | CA | C | OXT | 169.4° | 180.0° |
| N | CA | CB | CG | 43.3° | 65.0° |
| N | CA | CB | HB2 | 163.3° | 55.0° |
| N | CA | CB | HB3 | 76.7° | 175.0° |
| CA | N | C4A | HA1 | 88.8° | 60.0° |
| H | N | CA | C | 40.0° | 38.9° |
| H | N | CA | CB | 164.3° | 81.1° |
| H | N | CA | HA | 80.3° | 159.0° |
| H | N | C4A | HA1 | 151.2° | 176.0° |
| C | CA | CB | HA | 119.9° | 120.1° |
| CA | C | O | OXT | 177.5° | 180.0° |
| C | CA | CB | CG | 78.0° | 175.0° |
| C | CA | CB | HB2 | 42.0° | 65.0° |
| C | CA | CB | HB3 | 162.0° | 55.0° |
| CA | C | OXT | HXT | 177.4° | 180.0° |
| C | CA | N | C4A | 160.0° | 85.0° |
| CB | CA | C | O | 138.2° | 120.0° |
| CB | CA | C | OXT | 44.2° | 60.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 118.5° | 120.0° |
| CA | CB | CG | CD1 | 81.2° | 90.1° |
| CA | CB | CG | CD2 | 101.9° | 90.3° |
| CB | CA | N | C4A | 75.7° | 155.0° |
| HA | CA | C | O | 106.3° | 120.0° |
| HA | CA | C | OXT | 71.3° | 60.0° |
| HA | CA | CB | CG | 162.1° | 55.0° |
| HA | CA | CB | HB2 | 77.9° | 174.9° |
| HA | CA | CB | HB3 | 42.1° | 65.1° |
| HA | CA | N | C4A | 39.7° | 35.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| CG | CB | HB2 | HB3 | 118.5° | 120.0° |
| CB | CG | CD1 | CD2 | 176.9° | 179.7° |
| CB | CG | CD1 | CE1 | 179.5° | 180.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.1° |
| CB | CG | CD2 | CE2 | 179.8° | 179.9° |
| CB | CG | CD2 | HD2 | 0.2° | 0.1° |
| HB2 | CB | CG | CD1 | 38.8° | 29.9° |
| HB2 | CB | CG | CD2 | 138.1° | 149.7° |
| HB3 | CB | CG | CD1 | 158.7° | 150.0° |
| HB3 | CB | CG | CD2 | 18.1° | 29.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 2.9° | 0.3° |
| CD1 | CG | CD2 | HD2 | 177.1° | 179.7° |
| CG | CD1 | CE1 | CZ | 0.5° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.5° | 180.0° |
| CD2 | CG | CD1 | CE1 | 2.6° | 0.4° |
| CD2 | CG | CD1 | HD1 | 177.4° | 179.8° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 1.0° | 0.1° |
| CG | CD2 | CE2 | HE2 | 179.0° | 180.0° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 1.4° | 0.3° |
| CD1 | CE1 | CZ | OH | 179.5° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 179.5° | 179.9° |
| HD1 | CD1 | CE1 | HE1 | 0.5° | 0.1° |
| CD2 | CE2 | CZ | CE1 | 1.2° | 0.4° |
| CD2 | CE2 | CZ | HE2 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | OH | 179.7° | 180.0° |
| HD2 | CD2 | CE2 | CZ | 179.0° | 179.9° |
| HD2 | CD2 | CE2 | HE2 | 1.0° | 0.0° |
| CE1 | CZ | CE2 | OH | 179.1° | 179.6° |
| CE1 | CZ | CE2 | HE2 | 178.8° | 179.7° |
| CE1 | CZ | OH | HH | 180.0° | 90.0° |
| HE1 | CE1 | CZ | CE2 | 178.6° | 179.6° |
| HE1 | CE1 | CZ | OH | 0.5° | 0.0° |
| CE2 | CZ | OH | HH | 0.9° | 89.6° |
| HE2 | CE2 | CZ | OH | 0.3° | 0.1° |
