WRP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| O6 | C4 | sing | 1.43Å | 1.42Å | |
| C1 | C4 | sing | 1.53Å | 1.54Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C1 | NE1 | sing | 1.46Å | 1.49Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| CZ2 | CH2 | doub | 1.38Å | 1.40Å | Aromatic |
| CZ2 | CE2 | sing | 1.39Å | 1.39Å | Aromatic |
| CH2 | CZ3 | sing | 1.39Å | 1.39Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| NE1 | CD1 | sing | 1.37Å | 1.37Å | Aromatic |
| CE2 | CD2 | doub | 1.41Å | 1.45Å | Aromatic |
| CZ3 | CE3 | doub | 1.37Å | 1.40Å | Aromatic |
| CD1 | CG | doub | 1.34Å | 1.36Å | Aromatic |
| OXT | C | sing | 1.34Å | 1.36Å | |
| CD2 | CE3 | sing | 1.40Å | 1.41Å | Aromatic |
| CD2 | CG | sing | 1.47Å | 1.44Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CB | OB | sing | 1.43Å | 1.41Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CD1 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| O6 | H12 | sing | 0.97Å | 0.95Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| CZ2 | H16 | sing | 1.08Å | 1.08Å | |
| CH2 | H17 | sing | 1.08Å | 1.08Å | |
| CZ3 | H18 | sing | 1.08Å | 1.08Å | |
| CE3 | H19 | sing | 1.08Å | 1.08Å | |
| OB | H20 | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 110.6° | 109.5° |
| C2 | C1 | C3 | 107.1° | 109.5° |
| C2 | C1 | NE1 | 111.0° | 109.5° |
| C1 | C2 | H13 | 109.5° | 109.4° |
| C1 | C2 | H14 | 109.5° | 109.5° |
| C1 | C2 | H15 | 109.5° | 109.5° |
| O6 | C4 | C1 | 110.2° | 109.5° |
| O6 | C4 | C5 | 106.4° | 109.5° |
| O6 | C4 | H8 | 109.8° | 109.5° |
| C4 | O6 | H12 | 109.5° | 114.0° |
| C4 | C1 | C3 | 110.1° | 109.5° |
| C4 | C1 | NE1 | 108.4° | 109.5° |
| C1 | C4 | C5 | 113.8° | 109.5° |
| C1 | C4 | H8 | 108.2° | 109.4° |
| C3 | C1 | NE1 | 109.7° | 109.5° |
| C1 | C3 | H5 | 109.5° | 109.5° |
| C1 | C3 | H6 | 109.5° | 109.5° |
| C1 | C3 | H7 | 109.5° | 109.5° |
| C1 | NE1 | CE2 | 125.6° | 125.1° |
| C1 | NE1 | CD1 | 124.1° | 125.0° |
| C5 | C4 | H8 | 108.3° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.4° |
| C4 | C5 | H10 | 109.5° | 109.4° |
| C4 | C5 | H11 | 109.5° | 109.5° |
| CH2 | CZ2 | CE2 | 118.7° | 119.8° |
| CZ2 | CH2 | CZ3 | 121.4° | 120.7° |
| CH2 | CZ2 | H16 | 120.7° | 120.1° |
| CZ2 | CH2 | H17 | 119.3° | 119.6° |
| CZ2 | CE2 | NE1 | 132.9° | 133.5° |
| CZ2 | CE2 | CD2 | 120.0° | 119.3° |
| CE2 | CZ2 | H16 | 120.7° | 120.1° |
| CH2 | CZ3 | CE3 | 121.7° | 120.5° |
| CZ3 | CH2 | H17 | 119.3° | 119.7° |
| CH2 | CZ3 | H18 | 119.1° | 119.7° |
| CE2 | NE1 | CD1 | 110.3° | 109.9° |
| NE1 | CE2 | CD2 | 107.0° | 107.2° |
| NE1 | CD1 | CG | 109.4° | 109.9° |
| NE1 | CD1 | H4 | 125.3° | 125.1° |
| CE2 | CD2 | CE3 | 120.1° | 119.9° |
| CE2 | CD2 | CG | 104.8° | 106.1° |
| CZ3 | CE3 | CD2 | 118.1° | 119.7° |
| CE3 | CZ3 | H18 | 119.1° | 119.7° |
| CZ3 | CE3 | H19 | 121.0° | 120.1° |
| CD1 | CG | CD2 | 108.5° | 107.0° |
| CD1 | CG | CB | 127.4° | 126.5° |
| CG | CD1 | H4 | 125.3° | 125.0° |
| OXT | C | O | 118.4° | 120.0° |
| OXT | C | CA | 123.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CE3 | CD2 | CG | 135.1° | 134.0° |
| CD2 | CE3 | H19 | 121.0° | 120.1° |
| CD2 | CG | CB | 124.1° | 126.5° |
| CG | CB | CA | 111.0° | 109.5° |
| CG | CB | OB | 110.9° | 109.4° |
| CG | CB | H3 | 108.0° | 109.5° |
| O | C | CA | 117.8° | 120.0° |
| C | CA | CB | 108.2° | 109.5° |
| C | CA | N | 109.1° | 109.5° |
| C | CA | HA | 109.7° | 109.4° |
| CB | CA | N | 110.0° | 109.5° |
| CA | CB | OB | 110.0° | 109.5° |
| CB | CA | HA | 109.2° | 109.5° |
| CA | CB | H3 | 107.5° | 109.5° |
| N | CA | HA | 110.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| OB | CB | H3 | 109.2° | 109.5° |
| CB | OB | H20 | 109.5° | 114.0° |
| H5 | C3 | H6 | 109.4° | 109.5° |
| H5 | C3 | H7 | 109.5° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H9 | C5 | H10 | 109.5° | 109.4° |
| H9 | C5 | H11 | 109.5° | 109.5° |
| H10 | C5 | H11 | 109.4° | 109.5° |
| H13 | C2 | H14 | 109.4° | 109.4° |
| H13 | C2 | H15 | 109.5° | 109.5° |
| H14 | C2 | H15 | 109.5° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | O6 | 52.6° | 180.0° |
| C2 | C1 | C4 | C3 | 118.2° | 120.0° |
| C2 | C1 | C4 | NE1 | 121.9° | 120.0° |
| C2 | C1 | C3 | NE1 | 120.5° | 120.0° |
| C2 | C1 | C4 | C5 | 172.1° | 59.9° |
| C2 | C1 | NE1 | CE2 | 57.1° | 60.0° |
| C2 | C1 | NE1 | CD1 | 125.6° | 120.3° |
| C2 | C1 | C3 | H5 | 180.0° | 59.9° |
| C2 | C1 | C3 | H6 | 60.0° | 60.0° |
| C2 | C1 | C3 | H7 | 60.0° | 180.0° |
| C2 | C1 | C4 | H8 | 67.5° | 60.1° |
| C1 | C2 | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | H13 | H15 | 120.0° | 120.0° |
| C1 | C2 | H14 | H15 | 120.0° | 120.0° |
| O6 | C4 | C1 | C5 | 119.5° | 120.0° |
| O6 | C4 | C1 | H8 | 120.1° | 120.0° |
| O6 | C4 | C1 | C3 | 65.6° | 60.0° |
| O6 | C4 | C1 | NE1 | 174.4° | 60.0° |
| O6 | C4 | C5 | H8 | 118.0° | 120.0° |
| O6 | C4 | C5 | H9 | 180.0° | 60.0° |
| O6 | C4 | C5 | H10 | 60.0° | 60.0° |
| O6 | C4 | C5 | H11 | 60.0° | 180.0° |
| C4 | C1 | C3 | NE1 | 119.2° | 120.0° |
| C1 | C4 | C5 | H8 | 120.4° | 120.0° |
| C4 | C1 | NE1 | CE2 | 64.5° | 180.0° |
| C4 | C1 | NE1 | CD1 | 112.7° | 0.2° |
| C4 | C1 | C3 | H5 | 59.7° | 60.0° |
| C4 | C1 | C3 | H6 | 179.7° | 180.0° |
| C4 | C1 | C3 | H7 | 60.3° | 60.0° |
| C1 | C4 | C5 | H9 | 58.4° | 60.1° |
| C1 | C4 | C5 | H10 | 61.6° | 180.0° |
| C1 | C4 | C5 | H11 | 178.5° | 60.0° |
| C1 | C4 | O6 | H12 | 180.0° | 60.0° |
| C4 | C1 | C2 | H13 | 180.0° | 60.1° |
| C4 | C1 | C2 | H14 | 60.0° | 180.0° |
| C4 | C1 | C2 | H15 | 60.0° | 60.0° |
| C3 | C1 | C4 | C5 | 53.9° | 60.0° |
| C3 | C1 | NE1 | CE2 | 175.3° | 60.0° |
| C3 | C1 | NE1 | CD1 | 7.5° | 119.8° |
| C1 | C3 | H5 | H6 | 120.0° | 120.0° |
| C1 | C3 | H5 | H7 | 120.0° | 120.0° |
| C1 | C3 | H6 | H7 | 120.0° | 120.0° |
| C3 | C1 | C4 | H8 | 174.4° | 180.0° |
| C3 | C1 | C2 | H13 | 60.1° | 180.0° |
| C3 | C1 | C2 | H14 | 179.9° | 60.0° |
| C3 | C1 | C2 | H15 | 59.9° | 60.0° |
| NE1 | C1 | C4 | C5 | 66.1° | 180.0° |
| C1 | NE1 | CE2 | CZ2 | 1.3° | 0.2° |
| C1 | NE1 | CE2 | CD1 | 177.6° | 179.8° |
| C1 | NE1 | CE2 | CD2 | 176.9° | 180.0° |
| C1 | NE1 | CD1 | CG | 177.5° | 179.8° |
| C1 | NE1 | CD1 | H4 | 2.5° | 0.2° |
| NE1 | C1 | C3 | H5 | 59.5° | 180.0° |
| NE1 | C1 | C3 | H6 | 60.5° | 60.0° |
| NE1 | C1 | C3 | H7 | 179.5° | 60.0° |
| NE1 | C1 | C4 | H8 | 54.4° | 60.0° |
| NE1 | C1 | C2 | H13 | 59.6° | 60.0° |
| NE1 | C1 | C2 | H14 | 60.3° | 60.0° |
| NE1 | C1 | C2 | H15 | 179.7° | 180.0° |
| C4 | C5 | H9 | H10 | 120.0° | 119.9° |
| C4 | C5 | H9 | H11 | 120.0° | 120.0° |
| C4 | C5 | H10 | H11 | 119.9° | 120.0° |
| C5 | C4 | O6 | H12 | 56.1° | 60.0° |
| CH2 | CZ2 | CE2 | H16 | 180.0° | 179.9° |
| CZ2 | CH2 | CZ3 | H17 | 180.0° | 179.9° |
| CH2 | CZ2 | CE2 | NE1 | 178.8° | 180.0° |
| CH2 | CZ2 | CE2 | CD2 | 0.8° | 0.2° |
| CZ2 | CH2 | CZ3 | CE3 | 2.7° | 0.1° |
| CZ2 | CH2 | CZ3 | H18 | 177.3° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 1.5° | 0.1° |
| CZ2 | CE2 | NE1 | CD2 | 178.2° | 179.8° |
| CZ2 | CE2 | NE1 | CD1 | 178.9° | 180.0° |
| CZ2 | CE2 | CD2 | CE3 | 1.2° | 0.6° |
| CZ2 | CE2 | CD2 | CG | 179.5° | 179.8° |
| CE2 | CZ2 | CH2 | H17 | 178.5° | 180.0° |
| CH2 | CZ3 | CE3 | H18 | 180.0° | 180.0° |
| CH2 | CZ3 | CE3 | CD2 | 3.0° | 0.3° |
| CZ3 | CH2 | CZ2 | H16 | 178.5° | 180.0° |
| CH2 | CZ3 | CE3 | H19 | 177.0° | 180.0° |
| CE2 | NE1 | CD1 | CG | 0.1° | 0.0° |
| NE1 | CE2 | CD2 | CE3 | 179.7° | 179.6° |
| NE1 | CE2 | CD2 | CG | 1.0° | 0.4° |
| CE2 | NE1 | CD1 | H4 | 179.9° | 180.0° |
| NE1 | CE2 | CZ2 | H16 | 1.2° | 0.0° |
| CD1 | NE1 | CE2 | CD2 | 0.7° | 0.2° |
| NE1 | CD1 | CG | H4 | 180.0° | 180.0° |
| NE1 | CD1 | CG | CD2 | 0.5° | 0.2° |
| NE1 | CD1 | CG | CB | 178.4° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 2.2° | 0.6° |
| CE2 | CD2 | CG | CD1 | 0.9° | 0.4° |
| CE2 | CD2 | CE3 | CG | 179.1° | 179.0° |
| CE2 | CD2 | CG | CB | 178.9° | 179.9° |
| CD2 | CE2 | CZ2 | H16 | 179.2° | 179.7° |
| CE2 | CD2 | CE3 | H19 | 177.8° | 179.7° |
| CZ3 | CE3 | CD2 | H19 | 180.0° | 179.8° |
| CZ3 | CE3 | CD2 | CG | 178.7° | 179.6° |
| CE3 | CZ3 | CH2 | H17 | 177.3° | 180.0° |
| CD1 | CG | CD2 | CE3 | 179.9° | 179.5° |
| CD1 | CG | CD2 | CB | 178.0° | 179.7° |
| CD1 | CG | CB | CA | 96.5° | 95.0° |
| CD1 | CG | CB | OB | 140.8° | 25.0° |
| CD1 | CG | CB | H3 | 21.1° | 145.0° |
| OXT | C | O | CA | 179.2° | 179.6° |
| OXT | C | CA | CB | 121.1° | 79.7° |
| OXT | C | CA | N | 119.3° | 160.3° |
| OXT | C | CA | HA | 2.0° | 40.3° |
| CE3 | CD2 | CG | CB | 1.9° | 0.8° |
| CD2 | CE3 | CZ3 | H18 | 177.0° | 179.7° |
| CD2 | CG | CB | CA | 86.0° | 85.3° |
| CD2 | CG | CB | OB | 36.7° | 154.7° |
| CD2 | CG | CB | H3 | 156.4° | 34.7° |
| CD2 | CG | CD1 | H4 | 179.5° | 179.8° |
| CG | CD2 | CE3 | H19 | 1.3° | 0.6° |
| CG | CB | CA | C | 67.7° | 175.0° |
| CG | CB | CA | OB | 123.2° | 120.0° |
| CG | CB | CA | H3 | 117.9° | 120.0° |
| CG | CB | CA | N | 173.2° | 55.0° |
| CG | CB | OB | H3 | 119.0° | 120.0° |
| CG | CB | CA | HA | 51.6° | 65.0° |
| CB | CG | CD1 | H4 | 1.6° | 0.1° |
| CG | CB | OB | H20 | 180.0° | 60.0° |
| O | C | CA | CB | 58.1° | 100.0° |
| O | C | CA | N | 61.6° | 20.1° |
| O | C | CA | HA | 177.1° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | CB | N | 119.1° | 120.0° |
| C | CA | CB | HA | 119.3° | 120.0° |
| C | CA | N | HA | 120.7° | 119.9° |
| C | CA | CB | OB | 169.0° | 55.0° |
| C | CA | CB | H3 | 50.2° | 65.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| CA | C | OXT | HXT | 179.1° | 179.7° |
| CB | CA | N | HA | 120.8° | 120.0° |
| CA | CB | OB | H3 | 117.8° | 120.0° |
| CA | CB | OB | H20 | 56.7° | 60.0° |
| CB | CA | N | H | 61.5° | 60.0° |
| CB | CA | N | H2 | 178.5° | 64.0° |
| N | CA | CB | OB | 50.0° | 65.0° |
| N | CA | CB | H3 | 68.9° | 175.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| OB | CB | CA | HA | 71.6° | 175.0° |
| HA | CA | CB | H3 | 169.5° | 55.0° |
| HA | CA | N | H | 59.3° | 180.0° |
| HA | CA | N | H2 | 60.7° | 56.0° |
| H3 | CB | OB | H20 | 61.1° | 180.0° |
| H5 | C3 | H6 | H7 | 120.0° | 120.0° |
| H8 | C4 | C5 | H9 | 62.0° | 180.0° |
| H8 | C4 | C5 | H10 | 178.0° | 60.1° |
| H8 | C4 | C5 | H11 | 58.0° | 60.0° |
| H8 | C4 | O6 | H12 | 60.9° | 180.0° |
| H9 | C5 | H10 | H11 | 120.0° | 120.0° |
| H13 | C2 | H14 | H15 | 120.0° | 120.0° |
| H16 | CZ2 | CH2 | H17 | 1.5° | 0.0° |
| H17 | CH2 | CZ3 | H18 | 2.7° | 0.0° |
| H18 | CZ3 | CE3 | H19 | 3.0° | 0.0° |
