GKU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE2 | CD2 | doub | 1.38Å | 1.38Å | Aromatic |
| CE2 | CZ | sing | 1.39Å | 1.40Å | Aromatic |
| OH | CZ | sing | 1.36Å | 1.41Å | |
| CD2 | CG | sing | 1.38Å | 1.39Å | Aromatic |
| CZ | CE1 | doub | 1.39Å | 1.39Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.52Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CE1 | CD1 | sing | 1.38Å | 1.37Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.53Å | 1.55Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| C10 | N | sing | 1.47Å | 1.48Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| OH | H4 | sing | 0.97Å | 0.95Å | |
| CE1 | H5 | sing | 1.08Å | 1.08Å | |
| CD1 | H6 | sing | 1.08Å | 1.08Å | |
| CE2 | H7 | sing | 1.08Å | 1.08Å | |
| CD2 | H8 | sing | 1.08Å | 1.08Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CE2 | CZ | 119.0° | 119.9° |
| CE2 | CD2 | CG | 119.8° | 120.1° |
| CD2 | CE2 | H7 | 120.5° | 120.1° |
| CE2 | CD2 | H8 | 120.1° | 119.9° |
| CE2 | CZ | OH | 119.5° | 120.0° |
| CE2 | CZ | CE1 | 120.9° | 119.9° |
| CZ | CE2 | H7 | 120.5° | 120.0° |
| OH | CZ | CE1 | 119.5° | 120.1° |
| CZ | OH | H4 | 109.5° | 114.0° |
| CD2 | CG | CB | 120.8° | 120.0° |
| CD2 | CG | CD1 | 121.1° | 120.1° |
| CG | CD2 | H8 | 120.1° | 120.0° |
| CZ | CE1 | CD1 | 119.6° | 119.9° |
| CZ | CE1 | H5 | 120.2° | 120.0° |
| CB | CG | CD1 | 118.2° | 119.9° |
| CG | CB | CA | 109.6° | 109.5° |
| CG | CB | H9 | 109.4° | 109.5° |
| CG | CB | H10 | 109.5° | 109.5° |
| CG | CD1 | CE1 | 119.6° | 120.1° |
| CG | CD1 | H6 | 120.2° | 120.0° |
| CD1 | CE1 | H5 | 120.2° | 120.1° |
| CE1 | CD1 | H6 | 120.2° | 119.9° |
| CB | CA | C | 106.8° | 109.5° |
| CB | CA | N | 118.7° | 109.5° |
| CA | CB | H9 | 109.4° | 109.5° |
| CA | CB | H10 | 109.4° | 109.5° |
| CB | CA | H11 | 107.2° | 109.5° |
| C | CA | N | 108.6° | 109.4° |
| CA | C | H3 | 109.5° | 109.4° |
| CA | C | H2 | 109.4° | 109.4° |
| CA | C | H1 | 109.5° | 109.5° |
| C | CA | H11 | 107.1° | 109.4° |
| CA | N | C10 | 110.9° | 111.0° |
| N | CA | H11 | 108.0° | 109.5° |
| CA | N | H13 | 109.1° | 111.0° |
| C10 | N | H13 | 109.1° | 111.0° |
| N | C10 | H16 | 109.5° | 109.5° |
| N | C10 | H14 | 109.5° | 109.5° |
| N | C10 | H15 | 109.5° | 109.4° |
| H3 | C | H2 | 109.5° | 109.5° |
| H3 | C | H1 | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.5° |
| H9 | CB | H10 | 109.5° | 109.5° |
| H16 | C10 | H14 | 109.5° | 109.5° |
| H16 | C10 | H15 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CE2 | CZ | H7 | 180.0° | 179.9° |
| CD2 | CE2 | CZ | OH | 179.8° | 180.0° |
| CE2 | CD2 | CG | H8 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | CE1 | 0.0° | 0.2° |
| CE2 | CD2 | CG | CB | 178.4° | 179.9° |
| CE2 | CD2 | CG | CD1 | 0.5° | 0.3° |
| CE2 | CZ | OH | CE1 | 179.8° | 179.7° |
| CZ | CE2 | CD2 | CG | 0.4° | 0.0° |
| CE2 | CZ | CE1 | CD1 | 0.3° | 0.2° |
| CE2 | CZ | OH | H4 | 180.0° | 90.3° |
| CE2 | CZ | CE1 | H5 | 179.7° | 179.7° |
| CZ | CE2 | CD2 | H8 | 179.6° | 180.0° |
| OH | CZ | CE1 | CD1 | 179.5° | 179.9° |
| OH | CZ | CE1 | H5 | 0.5° | 0.0° |
| OH | CZ | CE2 | H7 | 0.2° | 0.0° |
| CD2 | CG | CB | CD1 | 178.0° | 179.8° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.3° |
| CD2 | CG | CB | CA | 56.4° | 90.0° |
| CD2 | CG | CD1 | H6 | 179.8° | 179.8° |
| CG | CD2 | CE2 | H7 | 179.6° | 180.0° |
| CD2 | CG | CB | H9 | 63.6° | 150.0° |
| CD2 | CG | CB | H10 | 176.5° | 30.0° |
| CZ | CE1 | CD1 | CG | 0.2° | 0.0° |
| CZ | CE1 | CD1 | H5 | 180.0° | 179.9° |
| CE1 | CZ | OH | H4 | 0.2° | 90.0° |
| CZ | CE1 | CD1 | H6 | 179.8° | 180.0° |
| CE1 | CZ | CE2 | H7 | 180.0° | 179.7° |
| CB | CG | CD1 | CE1 | 178.2° | 179.9° |
| CG | CB | CA | H9 | 120.0° | 120.0° |
| CG | CB | CA | H10 | 120.1° | 120.0° |
| CG | CB | CA | C | 175.9° | 175.0° |
| CG | CB | CA | N | 53.0° | 65.0° |
| CB | CG | CD1 | H6 | 1.8° | 0.0° |
| CB | CG | CD2 | H8 | 1.6° | 0.1° |
| CG | CB | H9 | H10 | 120.0° | 120.0° |
| CG | CB | CA | H11 | 69.5° | 55.0° |
| CG | CD1 | CE1 | H6 | 180.0° | 179.9° |
| CD1 | CG | CB | CA | 121.6° | 90.2° |
| CG | CD1 | CE1 | H5 | 179.8° | 180.0° |
| CD1 | CG | CD2 | H8 | 179.5° | 179.7° |
| CD1 | CG | CB | H9 | 118.4° | 29.8° |
| CD1 | CG | CB | H10 | 1.5° | 149.8° |
| CB | CA | C | N | 129.0° | 120.0° |
| CB | CA | C | H11 | 114.6° | 120.0° |
| CB | CA | N | H11 | 122.1° | 120.1° |
| CB | CA | N | C10 | 143.0° | 155.0° |
| CB | CA | C | H3 | 180.0° | 60.0° |
| CB | CA | C | H2 | 60.0° | 60.0° |
| CB | CA | C | H1 | 60.0° | 180.0° |
| CA | CB | H9 | H10 | 119.9° | 120.0° |
| CB | CA | N | H13 | 96.8° | 81.0° |
| C | CA | N | H11 | 115.8° | 120.0° |
| C | CA | N | C10 | 95.0° | 85.0° |
| CA | C | H3 | H2 | 120.0° | 119.9° |
| CA | C | H3 | H1 | 120.0° | 120.0° |
| CA | C | H2 | H1 | 120.0° | 120.0° |
| C | CA | CB | H9 | 64.1° | 55.0° |
| C | CA | CB | H10 | 55.9° | 65.0° |
| C | CA | N | H13 | 25.2° | 39.0° |
| CA | N | C10 | H13 | 120.2° | 124.0° |
| N | CA | C | H3 | 51.0° | 180.0° |
| N | CA | C | H2 | 171.0° | 60.0° |
| N | CA | C | H1 | 69.0° | 60.0° |
| N | CA | CB | H9 | 173.0° | 175.0° |
| N | CA | CB | H10 | 67.1° | 55.0° |
| CA | N | C10 | H16 | 180.0° | 180.0° |
| CA | N | C10 | H14 | 60.0° | 60.0° |
| CA | N | C10 | H15 | 60.0° | 60.0° |
| C10 | N | CA | H11 | 20.8° | 35.0° |
| N | C10 | H16 | H14 | 120.0° | 120.0° |
| N | C10 | H16 | H15 | 120.0° | 120.0° |
| N | C10 | H14 | H15 | 120.0° | 119.9° |
| H3 | C | H2 | H1 | 120.0° | 120.1° |
| H3 | C | CA | H11 | 65.4° | 60.0° |
| H2 | C | CA | H11 | 54.6° | 180.0° |
| H1 | C | CA | H11 | 174.6° | 60.0° |
| H5 | CE1 | CD1 | H6 | 0.2° | 0.1° |
| H7 | CE2 | CD2 | H8 | 0.4° | 0.0° |
| H9 | CB | CA | H11 | 50.5° | 64.9° |
| H10 | CB | CA | H11 | 170.4° | 175.0° |
| H11 | CA | N | H13 | 141.1° | 158.9° |
| H13 | N | C10 | H16 | 59.8° | 56.0° |
| H13 | N | C10 | H14 | 179.8° | 176.1° |
| H13 | N | C10 | H15 | 60.2° | 64.0° |
| H16 | C10 | H14 | H15 | 120.0° | 120.0° |
