1OP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | O2 | sing | 1.43Å | 1.41Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | CZ | sing | 1.36Å | 1.37Å | |
| CZ | CE1 | doub | 1.39Å | 1.40Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.40Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | CD2 | doub | 1.38Å | 1.38Å | Aromatic |
| CD1 | CG | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.39Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.48Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CD1 | H9 | sing | 1.08Å | 1.08Å | |
| CD2 | H10 | sing | 1.08Å | 1.08Å | |
| CE1 | H11 | sing | 1.08Å | 1.08Å | |
| CE2 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| O2 | H19 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 38.44Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | O2 | 107.8° | 109.5° |
| C11 | C10 | C09 | 112.2° | 109.5° |
| C11 | C10 | H1 | 108.8° | 109.4° |
| C11 | C10 | H20 | 108.8° | 109.5° |
| C10 | C11 | H3 | 109.9° | 109.5° |
| C10 | C11 | H4 | 109.9° | 109.5° |
| O2 | C11 | H3 | 109.9° | 109.5° |
| O2 | C11 | H4 | 109.9° | 109.5° |
| C11 | O2 | H19 | 109.5° | 114.0° |
| C10 | C09 | C08 | 112.3° | 109.5° |
| C09 | C10 | H1 | 108.8° | 109.5° |
| C09 | C10 | H20 | 108.8° | 109.5° |
| C10 | C09 | H17 | 108.7° | 109.5° |
| C10 | C09 | H18 | 108.8° | 109.5° |
| C09 | C08 | C07 | 111.3° | 109.5° |
| C09 | C08 | H15 | 109.0° | 109.5° |
| C09 | C08 | H16 | 109.0° | 109.4° |
| C08 | C09 | H17 | 108.7° | 109.5° |
| C08 | C09 | H18 | 108.8° | 109.5° |
| C08 | C07 | O1 | 106.4° | 109.4° |
| C08 | C07 | H13 | 110.2° | 109.5° |
| C08 | C07 | H14 | 110.2° | 109.5° |
| C07 | C08 | H15 | 109.0° | 109.5° |
| C07 | C08 | H16 | 109.0° | 109.4° |
| C07 | O1 | CZ | 113.0° | 117.0° |
| O1 | C07 | H13 | 110.2° | 109.5° |
| O1 | C07 | H14 | 110.2° | 109.4° |
| O1 | CZ | CE1 | 122.2° | 120.1° |
| O1 | CZ | CE2 | 117.0° | 120.0° |
| CE1 | CZ | CE2 | 120.8° | 119.9° |
| CZ | CE1 | CD1 | 119.1° | 120.0° |
| CZ | CE1 | H11 | 120.4° | 120.0° |
| CZ | CE2 | CD2 | 118.6° | 119.9° |
| CZ | CE2 | H12 | 120.7° | 120.0° |
| CE1 | CD1 | CG | 120.9° | 120.1° |
| CE1 | CD1 | H9 | 119.5° | 120.0° |
| CD1 | CE1 | H11 | 120.4° | 120.0° |
| CE2 | CD2 | CG | 121.9° | 120.1° |
| CE2 | CD2 | H10 | 119.0° | 120.0° |
| CD2 | CE2 | H12 | 120.7° | 120.0° |
| CD1 | CG | CD2 | 118.6° | 120.1° |
| CD1 | CG | CB | 121.4° | 120.0° |
| CG | CD1 | H9 | 119.5° | 120.0° |
| CD2 | CG | CB | 120.0° | 119.9° |
| CG | CD2 | H10 | 119.0° | 119.9° |
| CG | CB | CA | 118.9° | 109.5° |
| CG | CB | HB1 | 107.1° | 109.4° |
| CG | CB | HB2 | 107.1° | 109.5° |
| CB | CA | N | 110.5° | 109.5° |
| CB | CA | C | 104.8° | 109.5° |
| CB | CA | HA | 109.5° | 109.5° |
| CA | CB | HB1 | 107.1° | 109.5° |
| CA | CB | HB2 | 107.1° | 109.5° |
| N | CA | C | 111.9° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 110.4° | 109.5° |
| CA | C | O | 121.8° | 120.0° |
| C | CA | HA | 109.6° | 109.5° |
| CA | C | OXT | 80.7° | 120.0° |
| O | C | OXT | 62.7° | 120.0° |
| H1 | C10 | H20 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.4° |
| H | N | H2 | 109.4° | 111.0° |
| HB1 | CB | HB2 | 109.5° | 109.4° |
| H13 | C07 | H14 | 109.5° | 109.5° |
| H15 | C08 | H16 | 109.5° | 109.5° |
| H17 | C09 | H18 | 109.5° | 109.4° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | O2 | H3 | 119.7° | 120.0° |
| C10 | C11 | O2 | H4 | 119.7° | 120.0° |
| C11 | C10 | C09 | H1 | 120.4° | 120.0° |
| C11 | C10 | C09 | H20 | 120.4° | 120.0° |
| C11 | C10 | C09 | C08 | 110.6° | 180.0° |
| C11 | C10 | H1 | H20 | 118.8° | 120.0° |
| C10 | C11 | H3 | H4 | 120.8° | 120.0° |
| C11 | C10 | C09 | H17 | 9.8° | 60.0° |
| C11 | C10 | C09 | H18 | 129.0° | 60.0° |
| C10 | C11 | O2 | H19 | 180.0° | 180.0° |
| O2 | C11 | C10 | C09 | 45.2° | 180.0° |
| O2 | C11 | C10 | H1 | 165.6° | 60.0° |
| O2 | C11 | C10 | H20 | 75.2° | 60.0° |
| O2 | C11 | H3 | H4 | 120.8° | 120.0° |
| C10 | C09 | C08 | H17 | 120.4° | 120.0° |
| C10 | C09 | C08 | H18 | 120.5° | 120.0° |
| C10 | C09 | C08 | C07 | 175.3° | 180.0° |
| C09 | C10 | H1 | H20 | 118.8° | 120.0° |
| C09 | C10 | C11 | H3 | 165.0° | 60.0° |
| C09 | C10 | C11 | H4 | 74.5° | 60.0° |
| C10 | C09 | C08 | H15 | 55.0° | 60.0° |
| C10 | C09 | C08 | H16 | 64.5° | 60.0° |
| C10 | C09 | H17 | H18 | 118.7° | 120.0° |
| C09 | C08 | C07 | H15 | 120.3° | 120.0° |
| C09 | C08 | C07 | H16 | 120.3° | 119.9° |
| C09 | C08 | C07 | O1 | 110.7° | 180.0° |
| C08 | C09 | C10 | H1 | 129.0° | 60.0° |
| C08 | C09 | C10 | H20 | 9.8° | 60.0° |
| C09 | C08 | C07 | H13 | 8.9° | 60.0° |
| C09 | C08 | C07 | H14 | 129.8° | 60.0° |
| C09 | C08 | H15 | H16 | 119.2° | 120.0° |
| C08 | C09 | H17 | H18 | 118.7° | 120.0° |
| C08 | C07 | O1 | H13 | 119.5° | 120.0° |
| C08 | C07 | O1 | H14 | 119.5° | 120.0° |
| C08 | C07 | O1 | CZ | 177.6° | 180.0° |
| C08 | C07 | H13 | H14 | 121.4° | 120.0° |
| C07 | C08 | H15 | H16 | 119.1° | 120.0° |
| C07 | C08 | C09 | H17 | 64.3° | 60.0° |
| C07 | C08 | C09 | H18 | 54.8° | 60.0° |
| C07 | O1 | CZ | CE1 | 136.8° | 180.0° |
| C07 | O1 | CZ | CE2 | 43.1° | 0.2° |
| O1 | C07 | H13 | H14 | 121.4° | 120.0° |
| O1 | C07 | C08 | H15 | 129.1° | 60.0° |
| O1 | C07 | C08 | H16 | 9.6° | 60.1° |
| O1 | CZ | CE1 | CE2 | 179.9° | 179.7° |
| O1 | CZ | CE1 | CD1 | 179.6° | 180.0° |
| O1 | CZ | CE2 | CD2 | 179.7° | 180.0° |
| O1 | CZ | CE1 | H11 | 0.4° | 0.0° |
| O1 | CZ | CE2 | H12 | 0.3° | 0.0° |
| CZ | O1 | C07 | H13 | 58.1° | 60.0° |
| CZ | O1 | C07 | H14 | 62.9° | 60.0° |
| CZ | CE1 | CD1 | H11 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.2° | 0.3° |
| CZ | CE1 | CD1 | CG | 0.1° | 0.0° |
| CZ | CE1 | CD1 | H9 | 179.9° | 179.9° |
| CE1 | CZ | CE2 | H12 | 179.8° | 179.7° |
| CE2 | CZ | CE1 | CD1 | 0.3° | 0.3° |
| CZ | CE2 | CD2 | H12 | 180.0° | 180.0° |
| CZ | CE2 | CD2 | CG | 0.0° | 0.0° |
| CZ | CE2 | CD2 | H10 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | H11 | 179.7° | 179.8° |
| CE1 | CD1 | CG | H9 | 180.0° | 179.9° |
| CE1 | CD1 | CG | CD2 | 0.2° | 0.3° |
| CE1 | CD1 | CG | CB | 179.2° | 180.0° |
| CE2 | CD2 | CG | CD1 | 0.2° | 0.3° |
| CE2 | CD2 | CG | H10 | 180.0° | 180.0° |
| CE2 | CD2 | CG | CB | 179.2° | 180.0° |
| CD1 | CG | CD2 | CB | 179.4° | 179.8° |
| CD1 | CG | CB | CA | 60.5° | 90.0° |
| CD1 | CG | CB | HB1 | 60.9° | 30.0° |
| CD1 | CG | CB | HB2 | 178.2° | 150.0° |
| CD1 | CG | CD2 | H10 | 179.8° | 179.7° |
| CG | CD1 | CE1 | H11 | 179.9° | 180.0° |
| CD2 | CG | CB | CA | 120.2° | 90.2° |
| CD2 | CG | CB | HB1 | 118.5° | 149.7° |
| CD2 | CG | CB | HB2 | 1.2° | 29.8° |
| CD2 | CG | CD1 | H9 | 179.9° | 179.8° |
| CG | CD2 | CE2 | H12 | 180.0° | 180.0° |
| CG | CB | CA | HB1 | 121.3° | 120.0° |
| CG | CB | CA | HB2 | 121.3° | 120.0° |
| CG | CB | CA | N | 59.1° | 65.0° |
| CG | CB | CA | C | 179.8° | 175.0° |
| CG | CB | CA | HA | 62.7° | 55.0° |
| CG | CB | HB1 | HB2 | 115.7° | 120.0° |
| CB | CG | CD1 | H9 | 0.8° | 0.1° |
| CB | CG | CD2 | H10 | 0.8° | 0.0° |
| CB | CA | N | C | 116.4° | 120.0° |
| CB | CA | N | HA | 121.3° | 120.0° |
| CB | CA | C | HA | 117.4° | 120.0° |
| CB | CA | C | O | 100.6° | 99.9° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | HB1 | HB2 | 115.7° | 120.0° |
| CB | CA | C | OXT | 51.0° | 80.0° |
| N | CA | C | HA | 122.8° | 120.0° |
| N | CA | C | O | 19.2° | 20.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB1 | 179.5° | 55.0° |
| N | CA | CB | HB2 | 62.2° | 175.0° |
| N | CA | C | OXT | 68.8° | 160.0° |
| CA | C | O | OXT | 57.7° | 179.9° |
| C | CA | N | H | 63.6° | 64.0° |
| C | CA | N | H2 | 56.4° | 60.0° |
| C | CA | CB | HB1 | 58.8° | 65.0° |
| C | CA | CB | HB2 | 58.5° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| O | C | CA | HA | 142.0° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.1° |
| H1 | C10 | C11 | H3 | 74.6° | 60.0° |
| H1 | C10 | C11 | H4 | 45.9° | 180.0° |
| H1 | C10 | C09 | H17 | 110.6° | 180.0° |
| H1 | C10 | C09 | H18 | 8.6° | 60.0° |
| H20 | C10 | C11 | H3 | 44.6° | 180.0° |
| H20 | C10 | C11 | H4 | 165.1° | 60.0° |
| H20 | C10 | C09 | H17 | 130.3° | 60.0° |
| H20 | C10 | C09 | H18 | 110.6° | 180.0° |
| H3 | C11 | O2 | H19 | 60.3° | 59.9° |
| H4 | C11 | O2 | H19 | 60.3° | 60.0° |
| H | N | CA | HA | 58.7° | 56.0° |
| H2 | N | CA | HA | 178.7° | 180.0° |
| HA | CA | CB | HB1 | 58.6° | 175.0° |
| HA | CA | CB | HB2 | 176.0° | 65.0° |
| HA | CA | C | OXT | 168.4° | 40.1° |
| H9 | CD1 | CE1 | H11 | 0.1° | 0.1° |
| H10 | CD2 | CE2 | H12 | 0.0° | 0.0° |
| H13 | C07 | C08 | H15 | 111.4° | 180.0° |
| H13 | C07 | C08 | H16 | 129.1° | 59.9° |
| H14 | C07 | C08 | H15 | 9.6° | 60.0° |
| H14 | C07 | C08 | H16 | 109.9° | 180.0° |
| H15 | C08 | C09 | H17 | 175.4° | 60.0° |
| H15 | C08 | C09 | H18 | 65.5° | 180.0° |
| H16 | C08 | C09 | H17 | 55.9° | 179.9° |
| H16 | C08 | C09 | H18 | 175.1° | 60.0° |
