P3Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C2 | C1 | sing | 1.51Å | 1.56Å | |
| NAE | C1 | sing | 1.36Å | 1.34Å | |
| C1 | C11 | doub | 1.36Å | 1.39Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.51Å | 1.56Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C10 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CG | CB | sing | 1.51Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD1 | CG | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | CG | sing | 1.39Å | 1.39Å | Aromatic |
| OAZ | CZ | sing | 1.36Å | 1.35Å | |
| CZ | CE1 | doub | 1.39Å | 1.40Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.40Å | 1.39Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | O12 | doub | 1.22Å | 1.23Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| CD2 | OAD | sing | 1.36Å | 1.36Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| NAE | CE1 | sing | 1.40Å | 1.35Å | |
| OAZ | HOAZ | sing | 0.97Å | 0.95Å | |
| CE1 | CD1 | sing | 1.39Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE2 | CD2 | doub | 1.39Å | 1.39Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| NAE | HNAE | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 121.8° | 120.0° |
| CA | C | OXT | 115.9° | 120.0° |
| C | CA | N | 112.1° | 109.5° |
| C | CA | CB | 102.6° | 109.4° |
| C | CA | HA | 113.1° | 109.5° |
| O | C | OXT | 122.2° | 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 | 112.0° | 109.5° |
| N | CA | HA | 104.0° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| C2 | C1 | NAE | 114.9° | 120.0° |
| C2 | C1 | C11 | 123.4° | 120.0° |
| C1 | C2 | C3 | 111.8° | 109.5° |
| C1 | C2 | H2B | 108.7° | 109.4° |
| C1 | C2 | H2A | 108.7° | 109.5° |
| NAE | C1 | C11 | 121.5° | 120.0° |
| C1 | NAE | CE1 | 133.1° | 119.9° |
| C1 | NAE | HNAE | 113.5° | 120.0° |
| C1 | C11 | C12 | 121.7° | 120.0° |
| C1 | C11 | H11 | 119.2° | 120.0° |
| C3 | C2 | H2B | 108.7° | 109.5° |
| C3 | C2 | H2A | 108.7° | 109.5° |
| C2 | C3 | C4 | 114.0° | 109.5° |
| C2 | C3 | H3 | 108.0° | 109.5° |
| C2 | C3 | H3A | 108.0° | 109.5° |
| H2B | C2 | H2A | 110.2° | 109.5° |
| C4 | C3 | H3 | 108.0° | 109.5° |
| C4 | C3 | H3A | 108.0° | 109.5° |
| C3 | C4 | C5 | 113.3° | 109.5° |
| C3 | C4 | H4 | 108.2° | 109.4° |
| C3 | C4 | H4A | 108.2° | 109.5° |
| H3 | C3 | H3A | 110.9° | 109.4° |
| C5 | C4 | H4 | 108.2° | 109.5° |
| C5 | C4 | H4A | 108.2° | 109.5° |
| C4 | C5 | C10 | 121.4° | 120.0° |
| C4 | C5 | C6 | 120.4° | 120.0° |
| H4 | C4 | H4A | 110.7° | 109.4° |
| C10 | C5 | C6 | 118.2° | 120.0° |
| C5 | C10 | C9 | 121.1° | 120.0° |
| C5 | C10 | H10 | 119.5° | 120.0° |
| C5 | C6 | C7 | 121.0° | 120.0° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C7 | C6 | H6 | 119.5° | 120.0° |
| C6 | C7 | C8 | 120.5° | 120.0° |
| C6 | C7 | H7 | 119.7° | 120.0° |
| C8 | C7 | H7 | 119.8° | 120.0° |
| C7 | C8 | C9 | 118.9° | 120.0° |
| C7 | C8 | H8 | 120.5° | 120.0° |
| C9 | C8 | H8 | 120.5° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C8 | C9 | H9 | 119.8° | 120.0° |
| C10 | C9 | H9 | 119.8° | 120.0° |
| C9 | C10 | H10 | 119.5° | 120.0° |
| CB | CA | HA | 113.3° | 109.4° |
| CA | CB | CG | 114.9° | 109.5° |
| CA | CB | HB | 107.7° | 109.5° |
| CA | CB | HBA | 107.7° | 109.5° |
| CG | CB | HB | 107.7° | 109.4° |
| CG | CB | HBA | 107.7° | 109.5° |
| CB | CG | CD1 | 120.0° | 120.0° |
| CB | CG | CD2 | 120.2° | 119.9° |
| HB | CB | HBA | 111.2° | 109.5° |
| CD1 | CG | CD2 | 119.9° | 120.1° |
| CG | CD1 | CE1 | 121.7° | 120.1° |
| CG | CD1 | HD1 | 119.1° | 119.9° |
| CG | CD2 | OAD | 121.6° | 120.0° |
| CG | CD2 | CE2 | 119.0° | 120.1° |
| OAZ | CZ | CE1 | 123.1° | 120.1° |
| OAZ | CZ | CE2 | 116.3° | 120.1° |
| CZ | OAZ | HOAZ | 109.5° | 114.0° |
| CE1 | CZ | CE2 | 120.6° | 119.9° |
| CZ | CE1 | NAE | 123.8° | 120.0° |
| CZ | CE1 | CD1 | 117.8° | 119.9° |
| CZ | CE2 | CD2 | 121.0° | 119.9° |
| CZ | CE2 | HE2 | 119.5° | 120.1° |
| C12 | C11 | H11 | 119.1° | 120.0° |
| C11 | C12 | O12 | 118.7° | 119.9° |
| C11 | C12 | H12 | 120.7° | 120.0° |
| O12 | C12 | H12 | 120.7° | 120.1° |
| CD2 | OAD | HOAD | 109.5° | 114.0° |
| OAD | CD2 | CE2 | 119.4° | 119.9° |
| NAE | CE1 | CD1 | 117.9° | 120.1° |
| CE1 | NAE | HNAE | 113.5° | 120.0° |
| CE1 | CD1 | HD1 | 119.2° | 120.0° |
| CD2 | CE2 | HE2 | 119.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 178.3° | 179.8° |
| C | CA | N | CB | 114.8° | 120.0° |
| C | CA | N | HA | 122.6° | 120.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | HA | 122.3° | 120.0° |
| C | CA | CB | CG | 166.2° | 175.0° |
| C | CA | CB | HB | 46.1° | 65.1° |
| C | CA | CB | HBA | 73.9° | 55.0° |
| CA | C | OXT | HXT | 178.4° | 179.7° |
| O | C | CA | N | 36.6° | 20.0° |
| O | C | CA | CB | 83.8° | 100.1° |
| O | C | CA | HA | 153.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | N | 145.0° | 160.2° |
| OXT | C | CA | CB | 94.6° | 79.7° |
| OXT | C | CA | HA | 27.8° | 40.2° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HA | 117.2° | 120.0° |
| N | CA | CB | CG | 45.7° | 65.0° |
| N | CA | CB | HB | 74.3° | 55.0° |
| N | CA | CB | HBA | 165.6° | 175.0° |
| H | N | CA | CB | 65.2° | 176.0° |
| H | N | CA | HA | 57.4° | 56.0° |
| H2 | N | CA | CB | 174.8° | 60.0° |
| H2 | N | CA | HA | 62.6° | 180.0° |
| C2 | C1 | NAE | C11 | 175.3° | 180.0° |
| C1 | C2 | C3 | H2B | 120.0° | 119.9° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2B | H2A | 119.0° | 120.0° |
| C1 | C2 | C3 | C4 | 139.6° | 180.0° |
| C1 | C2 | C3 | H3 | 100.5° | 60.0° |
| C1 | C2 | C3 | H3A | 19.5° | 60.0° |
| C2 | C1 | C11 | C12 | 1.6° | 5.3° |
| C2 | C1 | C11 | H11 | 178.4° | 174.7° |
| C2 | C1 | NAE | CE1 | 170.3° | 57.8° |
| C2 | C1 | NAE | HNAE | 9.7° | 122.1° |
| NAE | C1 | C2 | C3 | 67.5° | 90.3° |
| NAE | C1 | C2 | H2B | 172.5° | 29.7° |
| NAE | C1 | C2 | H2A | 52.5° | 149.8° |
| C1 | NAE | CE1 | CZ | 132.4° | 174.0° |
| NAE | C1 | C11 | C12 | 176.5° | 174.7° |
| NAE | C1 | C11 | H11 | 3.6° | 5.3° |
| C1 | NAE | CE1 | HNAE | 180.0° | 179.9° |
| C1 | NAE | CE1 | CD1 | 55.8° | 5.6° |
| C11 | C1 | C2 | C3 | 117.3° | 89.7° |
| C11 | C1 | C2 | H2B | 2.7° | 150.3° |
| C11 | C1 | C2 | H2A | 122.7° | 30.3° |
| C1 | C11 | C12 | H11 | 180.0° | 180.0° |
| C1 | C11 | C12 | O12 | 179.4° | 180.0° |
| C1 | C11 | C12 | H12 | 0.7° | 0.0° |
| C11 | C1 | NAE | CE1 | 14.4° | 122.2° |
| C11 | C1 | NAE | HNAE | 165.6° | 57.9° |
| C3 | C2 | H2B | H2A | 119.0° | 120.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.1° |
| C2 | C3 | H3 | H3A | 118.2° | 120.0° |
| C2 | C3 | C4 | C5 | 178.9° | 180.0° |
| C2 | C3 | C4 | H4 | 58.9° | 60.0° |
| C2 | C3 | C4 | H4A | 61.1° | 59.9° |
| H2B | C2 | C3 | C4 | 19.5° | 60.1° |
| H2B | C2 | C3 | H3 | 139.5° | 179.9° |
| H2B | C2 | C3 | H3A | 100.5° | 60.0° |
| H2A | C2 | C3 | C4 | 100.4° | 60.0° |
| H2A | C2 | C3 | H3 | 19.6° | 60.0° |
| H2A | C2 | C3 | H3A | 139.6° | 179.9° |
| C4 | C3 | H3 | H3A | 118.2° | 119.9° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.1° |
| C3 | C4 | H4 | H4A | 118.4° | 120.0° |
| C3 | C4 | C5 | C10 | 42.8° | 90.3° |
| C3 | C4 | C5 | C6 | 137.5° | 90.0° |
| H3 | C3 | C4 | C5 | 61.1° | 60.0° |
| H3 | C3 | C4 | H4 | 178.9° | 180.0° |
| H3 | C3 | C4 | H4A | 58.9° | 60.1° |
| H3A | C3 | C4 | C5 | 58.9° | 59.9° |
| H3A | C3 | C4 | H4 | 61.1° | 60.1° |
| H3A | C3 | C4 | H4A | 178.9° | 180.0° |
| C5 | C4 | H4 | H4A | 118.4° | 120.0° |
| C4 | C5 | C10 | C6 | 179.7° | 179.7° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 0.2° | 0.0° |
| C4 | C5 | C10 | C9 | 179.5° | 179.6° |
| C4 | C5 | C10 | H10 | 0.5° | 0.3° |
| H4 | C4 | C5 | C10 | 162.8° | 149.7° |
| H4 | C4 | C5 | C6 | 17.5° | 30.0° |
| H4A | C4 | C5 | C10 | 77.2° | 29.8° |
| H4A | C4 | C5 | C6 | 102.5° | 150.0° |
| C10 | C5 | C6 | C7 | 0.6° | 0.3° |
| C10 | C5 | C6 | H6 | 179.4° | 179.7° |
| C5 | C10 | C9 | C8 | 0.7° | 0.7° |
| C5 | C10 | C9 | H10 | 180.0° | 179.3° |
| C5 | C10 | C9 | H9 | 179.3° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| C6 | C5 | C10 | C9 | 0.8° | 0.6° |
| C6 | C5 | C10 | H10 | 179.2° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| H6 | C6 | C7 | C8 | 179.9° | 180.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.4° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| H7 | C7 | C8 | C9 | 179.9° | 180.0° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C8 | C9 | C10 | H10 | 179.4° | 180.0° |
| H8 | C8 | C9 | C10 | 179.8° | 179.7° |
| H8 | C8 | C9 | H9 | 0.2° | 0.0° |
| H9 | C9 | C10 | H10 | 0.6° | 0.4° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 117.8° | 120.0° |
| CA | CB | CG | CD1 | 97.2° | 99.9° |
| CA | CB | CG | CD2 | 82.9° | 80.3° |
| HA | CA | CB | CG | 71.5° | 55.0° |
| HA | CA | CB | HB | 168.5° | 175.0° |
| HA | CA | CB | HBA | 48.5° | 65.0° |
| CG | CB | HB | HBA | 117.8° | 120.0° |
| CB | CG | CD1 | CD2 | 179.8° | 179.8° |
| CB | CG | CD2 | OAD | 1.6° | 0.0° |
| CB | CG | CD1 | CE1 | 178.6° | 180.0° |
| CB | CG | CD1 | HD1 | 1.4° | 0.0° |
| CB | CG | CD2 | CE2 | 179.8° | 180.0° |
| HB | CB | CG | CD1 | 22.8° | 20.0° |
| HB | CB | CG | CD2 | 157.0° | 159.8° |
| HBA | CB | CG | CD1 | 142.8° | 140.0° |
| HBA | CB | CG | CD2 | 37.0° | 39.8° |
| CG | CD1 | CE1 | CZ | 2.8° | 0.1° |
| CD1 | CG | CD2 | OAD | 178.6° | 179.8° |
| CG | CD1 | CE1 | NAE | 175.1° | 179.7° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.2° |
| CG | CD2 | CE2 | CZ | 0.6° | 0.1° |
| CG | CD2 | OAD | CE2 | 178.6° | 180.0° |
| CG | CD2 | OAD | HOAD | 180.0° | 90.0° |
| CD2 | CG | CD1 | CE1 | 1.2° | 0.2° |
| CD2 | CG | CD1 | HD1 | 178.8° | 179.8° |
| CG | CD2 | CE2 | HE2 | 179.4° | 179.8° |
| OAZ | CZ | CE1 | CE2 | 177.5° | 179.9° |
| OAZ | CZ | CE1 | NAE | 7.4° | 0.1° |
| OAZ | CZ | CE1 | CD1 | 179.2° | 179.7° |
| OAZ | CZ | CE2 | CD2 | 180.0° | 179.7° |
| OAZ | CZ | CE2 | HE2 | 0.1° | 0.0° |
| CZ | CE1 | NAE | CD1 | 171.8° | 179.6° |
| CE1 | CZ | OAZ | HOAZ | 180.0° | 90.0° |
| CZ | CE1 | CD1 | HD1 | 177.2° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 2.3° | 0.3° |
| CE1 | CZ | CE2 | HE2 | 177.8° | 179.9° |
| CZ | CE1 | NAE | HNAE | 47.6° | 5.9° |
| CZ | CE2 | CD2 | OAD | 178.1° | 180.0° |
| CE2 | CZ | CE1 | NAE | 175.1° | 180.0° |
| CE2 | CZ | OAZ | HOAZ | 2.4° | 90.0° |
| CE2 | CZ | CE1 | CD1 | 3.3° | 0.3° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.8° |
| C11 | C12 | O12 | H12 | 180.0° | 180.0° |
| H11 | C11 | C12 | O12 | 0.6° | 0.0° |
| H11 | C11 | C12 | H12 | 179.4° | 180.0° |
| OAD | CD2 | CE2 | HE2 | 1.9° | 0.2° |
| HOAD | OAD | CD2 | CE2 | 1.4° | 90.0° |
| NAE | CE1 | CD1 | HD1 | 4.9° | 0.3° |
| CD1 | CE1 | NAE | HNAE | 124.2° | 174.5° |
