41H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CZ | CE1 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.40Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.34Å | Aromatic |
| CE2 | CD2 | doub | 1.38Å | 1.37Å | Aromatic |
| CD1 | CG | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | CG | sing | 1.38Å | 1.39Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.58Å | |
| CW | CB | sing | 1.53Å | 1.45Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| O | C | doub | 1.21Å | 1.17Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CD1 | H6 | sing | 1.08Å | 1.08Å | |
| CD2 | H7 | sing | 1.08Å | 1.08Å | |
| CE1 | H8 | sing | 1.08Å | 1.08Å | |
| CE2 | H9 | sing | 1.08Å | 1.08Å | |
| CZ | H10 | sing | 1.08Å | 1.08Å | |
| CW | H11 | sing | 1.09Å | 1.10Å | |
| CW | H12 | sing | 1.09Å | 1.10Å | |
| CW | H13 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE1 | CZ | CE2 | 120.1° | 120.0° |
| CZ | CE1 | CD1 | 119.7° | 119.9° |
| CZ | CE1 | H8 | 120.2° | 120.0° |
| CE1 | CZ | H10 | 119.9° | 119.9° |
| CZ | CE2 | CD2 | 120.5° | 120.0° |
| CZ | CE2 | H9 | 119.8° | 120.0° |
| CE2 | CZ | H10 | 120.0° | 120.1° |
| CE1 | CD1 | CG | 120.6° | 120.0° |
| CE1 | CD1 | H6 | 119.7° | 120.0° |
| CD1 | CE1 | H8 | 120.2° | 120.0° |
| CE2 | CD2 | CG | 118.3° | 120.0° |
| CE2 | CD2 | H7 | 120.8° | 120.0° |
| CD2 | CE2 | H9 | 119.7° | 120.0° |
| CD1 | CG | CD2 | 120.8° | 120.0° |
| CD1 | CG | CB | 119.0° | 120.0° |
| CG | CD1 | H6 | 119.7° | 120.0° |
| CD2 | CG | CB | 120.3° | 120.0° |
| CG | CD2 | H7 | 120.8° | 120.0° |
| CG | CB | CW | 109.8° | 109.5° |
| CG | CB | CA | 106.7° | 109.4° |
| CG | CB | H5 | 106.6° | 109.4° |
| CW | CB | CA | 118.1° | 109.5° |
| CW | CB | H5 | 108.2° | 109.6° |
| CB | CW | H11 | 109.5° | 109.4° |
| CB | CW | H12 | 109.5° | 109.4° |
| CB | CW | H13 | 109.5° | 109.5° |
| CB | CA | N | 110.6° | 109.5° |
| CB | CA | C | 110.8° | 109.4° |
| CB | CA | HA | 107.1° | 109.5° |
| CA | CB | H5 | 106.9° | 109.5° |
| N | CA | C | 112.6° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 108.3° | 109.5° |
| CA | C | O | 120.3° | 120.0° |
| CA | C | OXT | 116.6° | 120.0° |
| C | CA | HA | 107.2° | 109.4° |
| O | C | OXT | 123.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H2 | N | H | 109.4° | 111.0° |
| H11 | CW | H12 | 109.4° | 109.5° |
| H11 | CW | H13 | 109.5° | 109.5° |
| H12 | CW | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE1 | CZ | CE2 | H10 | 180.0° | 179.7° |
| CZ | CE1 | CD1 | H8 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.1° | 0.3° |
| CZ | CE1 | CD1 | CG | 0.1° | 0.0° |
| CZ | CE1 | CD1 | H6 | 179.9° | 180.0° |
| CE1 | CZ | CE2 | H9 | 179.9° | 179.7° |
| CE2 | CZ | CE1 | CD1 | 0.1° | 0.3° |
| CZ | CE2 | CD2 | H9 | 180.0° | 180.0° |
| CZ | CE2 | CD2 | CG | 0.2° | 0.1° |
| CZ | CE2 | CD2 | H7 | 179.8° | 180.0° |
| CE2 | CZ | CE1 | H8 | 179.9° | 179.7° |
| CE1 | CD1 | CG | H6 | 180.0° | 180.0° |
| CE1 | CD1 | CG | CD2 | 0.4° | 0.3° |
| CE1 | CD1 | CG | CB | 179.8° | 180.0° |
| CD1 | CE1 | CZ | H10 | 179.8° | 180.0° |
| CE2 | CD2 | CG | CD1 | 0.4° | 0.2° |
| CE2 | CD2 | CG | H7 | 180.0° | 179.9° |
| CE2 | CD2 | CG | CB | 179.7° | 180.0° |
| CD2 | CE2 | CZ | H10 | 179.9° | 179.9° |
| CD1 | CG | CD2 | CB | 179.8° | 179.7° |
| CD1 | CG | CB | CW | 55.4° | 120.0° |
| CD1 | CG | CB | CA | 73.6° | 120.0° |
| CD1 | CG | CB | H5 | 172.4° | 0.0° |
| CD1 | CG | CD2 | H7 | 179.5° | 179.7° |
| CG | CD1 | CE1 | H8 | 179.9° | 180.0° |
| CD2 | CG | CB | CW | 124.4° | 59.7° |
| CD2 | CG | CB | CA | 106.5° | 60.3° |
| CD2 | CG | CB | H5 | 7.5° | 179.8° |
| CD2 | CG | CD1 | H6 | 179.6° | 179.7° |
| CG | CD2 | CE2 | H9 | 179.8° | 180.0° |
| CG | CB | CW | CA | 122.5° | 119.9° |
| CG | CB | CW | H5 | 116.0° | 120.0° |
| CG | CB | CA | H5 | 113.8° | 119.9° |
| CG | CB | CA | N | 75.7° | 60.0° |
| CG | CB | CA | C | 158.7° | 180.0° |
| CG | CB | CA | HA | 42.1° | 60.1° |
| CB | CG | CD1 | H6 | 0.2° | 0.0° |
| CB | CG | CD2 | H7 | 0.3° | 0.0° |
| CG | CB | CW | H11 | 180.0° | 60.0° |
| CG | CB | CW | H12 | 60.0° | 180.0° |
| CG | CB | CW | H13 | 60.0° | 60.0° |
| CW | CB | CA | H5 | 122.1° | 120.1° |
| CW | CB | CA | N | 160.2° | 179.9° |
| CW | CB | CA | C | 34.6° | 60.0° |
| CW | CB | CA | HA | 82.0° | 59.9° |
| CB | CW | H11 | H12 | 120.0° | 119.9° |
| CB | CW | H11 | H13 | 120.0° | 120.0° |
| CB | CW | H12 | H13 | 120.0° | 120.0° |
| CB | CA | N | C | 124.6° | 120.0° |
| CB | CA | N | HA | 117.1° | 120.1° |
| CB | CA | C | HA | 116.5° | 119.9° |
| CB | CA | C | O | 78.2° | 100.0° |
| CB | CA | C | OXT | 102.6° | 80.0° |
| CB | CA | N | H2 | 180.0° | 60.0° |
| CB | CA | N | H | 60.0° | 63.9° |
| CA | CB | CW | H11 | 57.4° | 180.0° |
| CA | CB | CW | H12 | 62.5° | 60.1° |
| CA | CB | CW | H13 | 177.5° | 60.0° |
| N | CA | C | HA | 119.0° | 120.0° |
| N | CA | C | O | 157.4° | 20.0° |
| N | CA | C | OXT | 21.9° | 160.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | CB | H5 | 38.1° | 59.9° |
| CA | C | O | OXT | 179.2° | 180.0° |
| C | CA | N | H2 | 55.4° | 60.0° |
| C | CA | N | H | 64.5° | 176.1° |
| C | CA | CB | H5 | 87.5° | 60.1° |
| CA | C | OXT | HXT | 179.2° | 180.0° |
| O | C | CA | HA | 38.4° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 140.9° | 40.0° |
| H2 | N | CA | HA | 63.0° | 180.0° |
| H | N | CA | HA | 177.1° | 56.1° |
| HA | CA | CB | H5 | 155.9° | 180.0° |
| H5 | CB | CW | H11 | 64.0° | 60.0° |
| H5 | CB | CW | H12 | 176.0° | 60.0° |
| H5 | CB | CW | H13 | 56.0° | 180.0° |
| H6 | CD1 | CE1 | H8 | 0.1° | 0.0° |
| H7 | CD2 | CE2 | H9 | 0.2° | 0.0° |
| H8 | CE1 | CZ | H10 | 0.2° | 0.0° |
| H9 | CE2 | CZ | H10 | 0.1° | 0.0° |
| H11 | CW | H12 | H13 | 120.0° | 120.0° |
