P2Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.50Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| NAS | C1 | sing | 1.46Å | 1.47Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C5 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | doub | 1.31Å | 1.40Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.51Å | 1.38Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | OAT | sing | 1.43Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| OC5 | C5 | doub | 1.21Å | 1.23Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| OAT | C6 | sing | 1.36Å | 1.37Å | |
| C7 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.48Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD2 | CG | doub | 1.39Å | 1.39Å | Aromatic |
| CG | CD1 | sing | 1.38Å | 1.38Å | Aromatic |
| CE2 | CZ | doub | 1.38Å | 1.41Å | Aromatic |
| CZ | OAZ | sing | 1.36Å | 1.35Å | |
| CZ | CE1 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| OAD | CD2 | sing | 1.36Å | 1.36Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CE1 | NAS | sing | 1.40Å | 1.34Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| OAZ | HOAZ | sing | 0.97Å | 0.95Å | |
| CD1 | CE1 | doub | 1.39Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | sing | 1.39Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 121.1° | 120.0° |
| CA | C | OXT | 119.4° | 120.0° |
| C | CA | N | 111.5° | 109.4° |
| C | CA | CB | 102.4° | 109.5° |
| C | CA | HA | 115.0° | 109.4° |
| O | C | OXT | 119.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 115.4° | 109.5° |
| N | CA | HA | 101.9° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| NAS | C1 | C2 | 116.0° | 109.5° |
| NAS | C1 | C5 | 104.6° | 109.5° |
| NAS | C1 | H1 | 106.9° | 109.5° |
| C1 | NAS | CE1 | 130.5° | 120.0° |
| C1 | NAS | HNAS | 103.0° | 120.0° |
| C2 | C1 | C5 | 104.1° | 109.4° |
| C2 | C1 | H1 | 107.3° | 109.5° |
| C1 | C2 | C3 | 114.3° | 120.0° |
| C1 | C2 | H12 | 122.9° | 120.1° |
| C5 | C1 | H1 | 118.3° | 109.5° |
| C1 | C5 | OC5 | 121.6° | 120.0° |
| C1 | C5 | H5 | 119.2° | 120.0° |
| C3 | C2 | H12 | 122.8° | 120.0° |
| C2 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | OAT | 119.0° | 109.5° |
| C3 | C4 | H4 | 106.4° | 109.5° |
| C3 | C4 | H4A | 106.4° | 109.4° |
| OAT | C4 | H4 | 106.4° | 109.5° |
| OAT | C4 | H4A | 106.4° | 109.5° |
| C4 | OAT | C6 | 115.9° | 117.0° |
| H4 | C4 | H4A | 112.3° | 109.4° |
| OC5 | C5 | H5 | 119.2° | 120.0° |
| OAT | C6 | C7 | 122.6° | 120.1° |
| OAT | C6 | C11 | 117.9° | 120.1° |
| C7 | C6 | C11 | 119.5° | 119.9° |
| C6 | C7 | C8 | 119.5° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C6 | C11 | C10 | 120.5° | 119.9° |
| C6 | C11 | H11 | 119.7° | 120.0° |
| C8 | C7 | H7 | 120.2° | 120.0° |
| C7 | C8 | C9 | 120.6° | 120.0° |
| C7 | C8 | H8 | 119.7° | 120.0° |
| C9 | C8 | H8 | 119.7° | 119.9° |
| C8 | C9 | C10 | 120.2° | 120.1° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C10 | C9 | H9 | 119.9° | 119.9° |
| C9 | C10 | C11 | 119.7° | 120.1° |
| C9 | C10 | H10 | 120.1° | 120.0° |
| CB | CA | HA | 111.1° | 109.5° |
| CA | CB | CG | 118.7° | 109.5° |
| CA | CB | HB | 106.5° | 109.5° |
| CA | CB | HBA | 106.5° | 109.5° |
| CG | CB | HB | 106.5° | 109.5° |
| CG | CB | HBA | 106.5° | 109.5° |
| CB | CG | CD2 | 121.8° | 119.9° |
| CB | CG | CD1 | 116.8° | 120.0° |
| HB | CB | HBA | 112.3° | 109.5° |
| CD2 | CG | CD1 | 121.3° | 120.1° |
| CG | CD2 | OAD | 119.9° | 119.9° |
| CG | CD2 | CE2 | 118.6° | 120.0° |
| CG | CD1 | CE1 | 121.1° | 120.0° |
| CG | CD1 | HD1 | 119.4° | 120.0° |
| CE2 | CZ | OAZ | 119.0° | 120.1° |
| CE2 | CZ | CE1 | 120.4° | 119.9° |
| CZ | CE2 | CD2 | 120.2° | 120.0° |
| CZ | CE2 | HE2 | 119.9° | 120.0° |
| OAZ | CZ | CE1 | 120.6° | 120.0° |
| CZ | OAZ | HOAZ | 109.5° | 114.0° |
| CZ | CE1 | NAS | 126.7° | 120.0° |
| CZ | CE1 | CD1 | 118.4° | 119.9° |
| C11 | C10 | H10 | 120.2° | 119.9° |
| C10 | C11 | H11 | 119.8° | 120.1° |
| CD2 | OAD | HOAD | 109.5° | 114.0° |
| OAD | CD2 | CE2 | 121.4° | 120.0° |
| CE1 | NAS | HNAS | 103.0° | 120.0° |
| NAS | CE1 | CD1 | 114.8° | 120.0° |
| CE1 | CD1 | HD1 | 119.5° | 120.0° |
| CD2 | CE2 | HE2 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 180.0° | 179.7° |
| C | CA | N | CB | 116.2° | 120.0° |
| C | CA | N | HA | 123.2° | 119.9° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | HA | 123.3° | 119.9° |
| C | CA | CB | CG | 165.0° | 175.0° |
| C | CA | CB | HB | 45.0° | 65.0° |
| C | CA | CB | HBA | 75.0° | 55.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| O | C | CA | N | 34.0° | 20.0° |
| O | C | CA | CB | 89.9° | 100.0° |
| O | C | CA | HA | 149.4° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.2° |
| OXT | C | CA | N | 146.0° | 160.2° |
| OXT | C | CA | CB | 90.1° | 79.7° |
| OXT | C | CA | HA | 30.6° | 40.2° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HA | 115.4° | 120.1° |
| N | CA | CB | CG | 43.7° | 65.0° |
| N | CA | CB | HB | 76.3° | 55.0° |
| N | CA | CB | HBA | 163.7° | 174.9° |
| H | N | CA | CB | 63.8° | 176.1° |
| H | N | CA | HA | 56.7° | 56.0° |
| H2 | N | CA | CB | 176.2° | 60.0° |
| H2 | N | CA | HA | 63.2° | 180.0° |
| NAS | C1 | C2 | C5 | 114.3° | 120.0° |
| NAS | C1 | C2 | H1 | 119.5° | 120.1° |
| NAS | C1 | C5 | H1 | 118.8° | 120.1° |
| NAS | C1 | C2 | C3 | 155.1° | 115.0° |
| NAS | C1 | C2 | H12 | 24.9° | 65.0° |
| NAS | C1 | C5 | OC5 | 23.9° | 0.0° |
| NAS | C1 | C5 | H5 | 156.1° | 180.0° |
| C1 | NAS | CE1 | CZ | 65.9° | 180.0° |
| C1 | NAS | CE1 | HNAS | 120.0° | 179.9° |
| C1 | NAS | CE1 | CD1 | 117.0° | 0.3° |
| C2 | C1 | C5 | H1 | 119.0° | 120.0° |
| C1 | C2 | C3 | H12 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 178.3° | 180.0° |
| C1 | C2 | C3 | H3 | 1.7° | 0.0° |
| C2 | C1 | C5 | OC5 | 98.3° | 120.0° |
| C2 | C1 | C5 | H5 | 81.7° | 60.0° |
| C2 | C1 | NAS | CE1 | 58.0° | 155.0° |
| C2 | C1 | NAS | HNAS | 178.0° | 24.9° |
| C5 | C1 | C2 | C3 | 40.8° | 125.0° |
| C5 | C1 | C2 | H12 | 139.2° | 55.0° |
| C1 | C5 | OC5 | H5 | 180.0° | 180.0° |
| C5 | C1 | NAS | CE1 | 172.0° | 85.0° |
| C5 | C1 | NAS | HNAS | 68.0° | 95.0° |
| H1 | C1 | C2 | C3 | 85.4° | 5.0° |
| H1 | C1 | C2 | H12 | 94.6° | 175.0° |
| H1 | C1 | C5 | OC5 | 142.7° | 120.0° |
| H1 | C1 | C5 | H5 | 37.3° | 60.0° |
| H1 | C1 | NAS | CE1 | 61.7° | 35.0° |
| H1 | C1 | NAS | HNAS | 58.3° | 145.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | OAT | 120.0° | 135.0° |
| C2 | C3 | C4 | H4 | 120.0° | 105.0° |
| C2 | C3 | C4 | H4A | 0.0° | 15.0° |
| H12 | C2 | C3 | C4 | 1.8° | 0.0° |
| H12 | C2 | C3 | H3 | 178.3° | 180.0° |
| C3 | C4 | OAT | H4 | 120.0° | 120.0° |
| C3 | C4 | OAT | H4A | 120.0° | 119.9° |
| C3 | C4 | H4 | H4A | 116.1° | 119.9° |
| C3 | C4 | OAT | C6 | 160.0° | 180.0° |
| H3 | C3 | C4 | OAT | 60.0° | 45.1° |
| H3 | C3 | C4 | H4 | 60.0° | 75.0° |
| H3 | C3 | C4 | H4A | 180.0° | 165.1° |
| OAT | C4 | H4 | H4A | 116.1° | 120.0° |
| C4 | OAT | C6 | C7 | 26.2° | 0.3° |
| C4 | OAT | C6 | C11 | 154.3° | 180.0° |
| H4 | C4 | OAT | C6 | 80.0° | 60.0° |
| H4A | C4 | OAT | C6 | 40.0° | 60.1° |
| OAT | C6 | C7 | C11 | 179.5° | 179.7° |
| OAT | C6 | C7 | C8 | 179.9° | 179.7° |
| OAT | C6 | C7 | H7 | 0.1° | 0.3° |
| OAT | C6 | C11 | C10 | 180.0° | 179.7° |
| OAT | C6 | C11 | H11 | 0.0° | 0.2° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.0° |
| C6 | C7 | C8 | H8 | 179.8° | 179.9° |
| C7 | C6 | C11 | C10 | 0.4° | 0.0° |
| C7 | C6 | C11 | H11 | 179.6° | 179.9° |
| C11 | C6 | C7 | C8 | 0.4° | 0.0° |
| C11 | C6 | C7 | H7 | 179.7° | 180.0° |
| C6 | C11 | C10 | C9 | 0.3° | 0.0° |
| C6 | C11 | C10 | H11 | 180.0° | 180.0° |
| C6 | C11 | C10 | H10 | 179.7° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C7 | C8 | C9 | H9 | 179.9° | 179.9° |
| H7 | C7 | C8 | C9 | 179.8° | 179.9° |
| H7 | C7 | C8 | H8 | 0.2° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.2° | 0.0° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| H8 | C8 | C9 | C10 | 179.9° | 179.9° |
| H8 | C8 | C9 | H9 | 0.1° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 179.7° | 179.9° |
| H9 | C9 | C10 | C11 | 179.8° | 179.9° |
| H9 | C9 | C10 | H10 | 0.2° | 0.1° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 116.2° | 120.0° |
| CA | CB | CG | CD2 | 72.4° | 80.3° |
| CA | CB | CG | CD1 | 108.7° | 100.0° |
| HA | CA | CB | CG | 71.7° | 55.1° |
| HA | CA | CB | HB | 168.3° | 175.1° |
| HA | CA | CB | HBA | 48.3° | 65.0° |
| CG | CB | HB | HBA | 116.2° | 120.0° |
| CB | CG | CD2 | CD1 | 178.8° | 179.7° |
| CB | CG | CD2 | OAD | 1.4° | 0.0° |
| CB | CG | CD1 | CE1 | 179.9° | 180.0° |
| CB | CG | CD1 | HD1 | 0.1° | 0.0° |
| CB | CG | CD2 | CE2 | 179.9° | 180.0° |
| HB | CB | CG | CD2 | 167.6° | 159.7° |
| HB | CB | CG | CD1 | 11.3° | 20.0° |
| HBA | CB | CG | CD2 | 47.5° | 39.7° |
| HBA | CB | CG | CD1 | 131.3° | 140.0° |
| CG | CD2 | CE2 | CZ | 0.8° | 0.0° |
| CG | CD2 | OAD | CE2 | 178.6° | 180.0° |
| CG | CD2 | OAD | HOAD | 180.0° | 90.0° |
| CD2 | CG | CD1 | CE1 | 1.1° | 0.3° |
| CD2 | CG | CD1 | HD1 | 178.9° | 179.8° |
| CG | CD2 | CE2 | HE2 | 179.2° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.7° | 0.0° |
| CD1 | CG | CD2 | OAD | 179.8° | 179.7° |
| CG | CD1 | CE1 | NAS | 178.1° | 179.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 1.2° | 0.3° |
| CE2 | CZ | OAZ | CE1 | 180.0° | 179.7° |
| CZ | CE2 | CD2 | OAD | 179.5° | 180.0° |
| CE2 | CZ | CE1 | NAS | 177.4° | 180.0° |
| CE2 | CZ | OAZ | HOAZ | 180.0° | 89.7° |
| CE2 | CZ | CE1 | CD1 | 0.3° | 0.3° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 180.0° |
| OAZ | CZ | CE1 | NAS | 2.6° | 0.3° |
| OAZ | CZ | CE1 | CD1 | 179.6° | 180.0° |
| OAZ | CZ | CE2 | CD2 | 179.6° | 180.0° |
| OAZ | CZ | CE2 | HE2 | 0.4° | 0.1° |
| CZ | CE1 | NAS | CD1 | 177.2° | 179.7° |
| CZ | CE1 | NAS | HNAS | 54.1° | 0.1° |
| CE1 | CZ | OAZ | HOAZ | 0.0° | 90.0° |
| CZ | CE1 | CD1 | HD1 | 179.3° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.4° | 0.3° |
| CE1 | CZ | CE2 | HE2 | 179.6° | 179.7° |
| H10 | C10 | C11 | H11 | 0.3° | 0.1° |
| OAD | CD2 | CE2 | HE2 | 0.5° | 0.0° |
| HOAD | OAD | CD2 | CE2 | 1.3° | 89.9° |
| NAS | CE1 | CD1 | HD1 | 1.9° | 0.2° |
| HNAS | NAS | CE1 | CD1 | 123.0° | 179.8° |
