HVU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NE1 | CD1 | sing | 1.37Å | 1.32Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.35Å | Aromatic |
| CD1 | CG | doub | 1.34Å | 1.39Å | Aromatic |
| CZ2 | CE2 | sing | 1.39Å | 1.42Å | Aromatic |
| CZ2 | CH2 | doub | 1.38Å | 1.39Å | Aromatic |
| CE2 | CD2 | doub | 1.41Å | 1.37Å | Aromatic |
| CH2 | CZ3 | sing | 1.39Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.46Å | 1.43Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.62Å | |
| CB1 | CF1 | sing | 1.53Å | 1.52Å | |
| CB1 | CB | sing | 1.53Å | 1.46Å | |
| CD2 | CE3 | sing | 1.40Å | 1.42Å | Aromatic |
| CF1 | NZ | sing | 1.47Å | 1.45Å | |
| CB | CA | sing | 1.53Å | 1.46Å | |
| CZ3 | CE3 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ3 | OH | sing | 1.36Å | 1.40Å | |
| CA | CA1 | sing | 1.53Å | 1.52Å | |
| NZ | CJ | sing | 1.47Å | 1.18Å | |
| NZ | CA1 | sing | 1.47Å | 1.45Å | |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CA1 | H3 | sing | 1.09Å | 1.10Å | |
| CA1 | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB1 | H6 | sing | 1.09Å | 1.10Å | |
| CB1 | H7 | sing | 1.09Å | 1.10Å | |
| CD1 | H8 | sing | 1.08Å | 1.08Å | |
| CE3 | H9 | sing | 1.08Å | 1.08Å | |
| NE1 | H10 | sing | 0.97Å | 1.00Å | |
| CZ2 | H11 | sing | 1.08Å | 1.08Å | |
| CH2 | H13 | sing | 1.08Å | 1.08Å | |
| OH | H14 | sing | 0.97Å | 0.95Å | |
| CJ | H15 | sing | 1.09Å | 1.10Å | |
| CJ | H16 | sing | 1.09Å | 1.10Å | |
| CJ | H17 | sing | 1.09Å | 1.10Å | |
| CF1 | H18 | sing | 1.09Å | 1.10Å | |
| CF1 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | NE1 | CE2 | 109.4° | 109.8° |
| NE1 | CD1 | CG | 109.6° | 109.9° |
| NE1 | CD1 | H8 | 125.2° | 125.0° |
| CD1 | NE1 | H10 | 125.3° | 125.1° |
| NE1 | CE2 | CZ2 | 129.9° | 133.3° |
| NE1 | CE2 | CD2 | 109.7° | 107.1° |
| CE2 | NE1 | H10 | 125.3° | 125.1° |
| CD1 | CG | CD2 | 105.9° | 107.0° |
| CD1 | CG | CB | 123.7° | 126.4° |
| CG | CD1 | H8 | 125.2° | 125.0° |
| CE2 | CZ2 | CH2 | 120.2° | 120.0° |
| CZ2 | CE2 | CD2 | 120.5° | 119.5° |
| CE2 | CZ2 | H11 | 119.9° | 120.0° |
| CZ2 | CH2 | CZ3 | 119.8° | 120.6° |
| CH2 | CZ2 | H11 | 119.9° | 120.0° |
| CZ2 | CH2 | H13 | 120.1° | 119.6° |
| CE2 | CD2 | CG | 105.5° | 106.1° |
| CE2 | CD2 | CE3 | 118.8° | 119.9° |
| CH2 | CZ3 | CE3 | 119.7° | 120.3° |
| CH2 | CZ3 | OH | 120.1° | 119.8° |
| CZ3 | CH2 | H13 | 120.1° | 119.7° |
| CD2 | CG | CB | 130.4° | 126.5° |
| CG | CD2 | CE3 | 135.7° | 134.0° |
| CG | CB | CB1 | 107.0° | 109.6° |
| CG | CB | CA | 112.3° | 109.5° |
| CG | CB | H5 | 107.2° | 109.5° |
| CF1 | CB1 | CB | 112.3° | 109.3° |
| CB1 | CF1 | NZ | 112.1° | 109.5° |
| CF1 | CB1 | H6 | 108.7° | 109.5° |
| CF1 | CB1 | H7 | 108.8° | 109.5° |
| CB1 | CF1 | H18 | 108.8° | 109.5° |
| CB1 | CF1 | H19 | 108.8° | 109.4° |
| CB1 | CB | CA | 111.9° | 109.2° |
| CB1 | CB | H5 | 109.1° | 109.5° |
| CB | CB1 | H6 | 108.8° | 109.5° |
| CB | CB1 | H7 | 108.8° | 109.5° |
| CD2 | CE3 | CZ3 | 121.0° | 119.7° |
| CD2 | CE3 | H9 | 119.5° | 120.2° |
| CF1 | NZ | CJ | 108.3° | 111.0° |
| CF1 | NZ | CA1 | 112.5° | 111.2° |
| NZ | CF1 | H18 | 108.8° | 109.5° |
| NZ | CF1 | H19 | 108.8° | 109.4° |
| CB | CA | CA1 | 112.2° | 109.3° |
| CB | CA | H1 | 108.8° | 109.5° |
| CB | CA | H2 | 108.8° | 109.5° |
| CA | CB | H5 | 109.1° | 109.5° |
| CE3 | CZ3 | OH | 120.2° | 119.9° |
| CZ3 | CE3 | H9 | 119.5° | 120.2° |
| CZ3 | OH | H14 | 109.5° | 114.0° |
| CA | CA1 | NZ | 112.0° | 109.5° |
| CA1 | CA | H1 | 108.8° | 109.5° |
| CA1 | CA | H2 | 108.8° | 109.5° |
| CA | CA1 | H3 | 108.8° | 109.5° |
| CA | CA1 | H4 | 108.8° | 109.5° |
| CJ | NZ | CA1 | 109.0° | 111.0° |
| NZ | CJ | H15 | 109.5° | 109.5° |
| NZ | CJ | H16 | 109.5° | 109.5° |
| NZ | CJ | H17 | 109.4° | 109.4° |
| NZ | CA1 | H3 | 108.8° | 109.5° |
| NZ | CA1 | H4 | 108.8° | 109.4° |
| H1 | CA | H2 | 109.5° | 109.5° |
| H3 | CA1 | H4 | 109.4° | 109.5° |
| H6 | CB1 | H7 | 109.5° | 109.5° |
| H15 | CJ | H16 | 109.5° | 109.4° |
| H15 | CJ | H17 | 109.5° | 109.5° |
| H16 | CJ | H17 | 109.5° | 109.5° |
| H18 | CF1 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | NE1 | CE2 | H10 | 180.0° | 179.8° |
| NE1 | CD1 | CG | H8 | 180.0° | 180.0° |
| CD1 | NE1 | CE2 | CZ2 | 180.0° | 180.0° |
| CD1 | NE1 | CE2 | CD2 | 0.0° | 0.4° |
| NE1 | CD1 | CG | CD2 | 0.1° | 0.0° |
| NE1 | CD1 | CG | CB | 179.9° | 179.8° |
| CE2 | NE1 | CD1 | CG | 0.1° | 0.2° |
| NE1 | CE2 | CZ2 | CD2 | 180.0° | 179.6° |
| NE1 | CE2 | CZ2 | CH2 | 180.0° | 179.6° |
| NE1 | CE2 | CD2 | CG | 0.1° | 0.4° |
| NE1 | CE2 | CD2 | CE3 | 180.0° | 179.7° |
| CE2 | NE1 | CD1 | H8 | 180.0° | 179.8° |
| NE1 | CE2 | CZ2 | H11 | 0.0° | 0.5° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.2° |
| CD1 | CG | CD2 | CB | 179.8° | 179.8° |
| CD1 | CG | CB | CB1 | 59.6° | 60.0° |
| CD1 | CG | CD2 | CE3 | 180.0° | 179.9° |
| CD1 | CG | CB | CA | 177.2° | 59.8° |
| CD1 | CG | CB | H5 | 57.4° | 179.8° |
| CG | CD1 | NE1 | H10 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | H11 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.0° | 0.1° |
| CZ2 | CE2 | CD2 | CG | 180.0° | 180.0° |
| CZ2 | CE2 | CD2 | CE3 | 0.1° | 0.0° |
| CZ2 | CE2 | NE1 | H10 | 0.0° | 0.2° |
| CE2 | CZ2 | CH2 | H13 | 180.0° | 180.0° |
| CH2 | CZ2 | CE2 | CD2 | 0.0° | 0.0° |
| CZ2 | CH2 | CZ3 | H13 | 180.0° | 179.9° |
| CZ2 | CH2 | CZ3 | CE3 | 0.0° | 0.0° |
| CZ2 | CH2 | CZ3 | OH | 179.9° | 180.0° |
| CE2 | CD2 | CG | CE3 | 179.9° | 179.9° |
| CE2 | CD2 | CG | CB | 179.9° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.1° | 0.1° |
| CE2 | CD2 | CE3 | H9 | 179.9° | 180.0° |
| CD2 | CE2 | NE1 | H10 | 180.0° | 179.9° |
| CD2 | CE2 | CZ2 | H11 | 180.0° | 180.0° |
| CH2 | CZ3 | CE3 | CD2 | 0.1° | 0.0° |
| CH2 | CZ3 | CE3 | OH | 179.9° | 180.0° |
| CH2 | CZ3 | CE3 | H9 | 180.0° | 179.9° |
| CZ3 | CH2 | CZ2 | H11 | 179.9° | 179.9° |
| CH2 | CZ3 | OH | H14 | 180.0° | 90.1° |
| CD2 | CG | CB | CB1 | 120.2° | 120.3° |
| CD2 | CG | CB | CA | 3.0° | 120.0° |
| CG | CD2 | CE3 | CZ3 | 180.0° | 180.0° |
| CD2 | CG | CB | H5 | 122.8° | 0.1° |
| CD2 | CG | CD1 | H8 | 179.9° | 180.0° |
| CG | CD2 | CE3 | H9 | 0.0° | 0.1° |
| CG | CB | CB1 | CF1 | 171.4° | 177.6° |
| CG | CB | CB1 | CA | 123.5° | 119.9° |
| CG | CB | CB1 | H5 | 115.6° | 120.1° |
| CB | CG | CD2 | CE3 | 0.2° | 0.1° |
| CG | CB | CA | H5 | 118.7° | 120.1° |
| CG | CB | CA | CA1 | 176.7° | 177.7° |
| CG | CB | CA | H1 | 62.9° | 57.7° |
| CG | CB | CA | H2 | 56.3° | 62.4° |
| CG | CB | CB1 | H6 | 68.2° | 57.7° |
| CG | CB | CB1 | H7 | 50.9° | 62.5° |
| CB | CG | CD1 | H8 | 0.1° | 0.2° |
| CF1 | CB1 | CB | H6 | 120.4° | 119.9° |
| CF1 | CB1 | CB | H7 | 120.4° | 120.0° |
| CB1 | CF1 | NZ | H18 | 120.4° | 120.1° |
| CB1 | CF1 | NZ | H19 | 120.4° | 119.9° |
| CF1 | CB1 | CB | CA | 47.9° | 57.6° |
| CB1 | CF1 | NZ | CJ | 177.1° | 62.4° |
| CB1 | CF1 | NZ | CA1 | 56.7° | 61.7° |
| CF1 | CB1 | CB | H5 | 73.0° | 62.3° |
| CF1 | CB1 | H6 | H7 | 118.7° | 120.1° |
| CB1 | CF1 | H18 | H19 | 118.8° | 119.9° |
| CB | CB1 | CF1 | NZ | 7.5° | 59.1° |
| CB1 | CB | CA | H5 | 120.9° | 119.9° |
| CB1 | CB | CA | CA1 | 56.2° | 57.7° |
| CB1 | CB | CA | H1 | 176.6° | 62.3° |
| CB1 | CB | CA | H2 | 64.2° | 177.6° |
| CB | CB1 | H6 | H7 | 118.7° | 120.1° |
| CB | CB1 | CF1 | H18 | 112.9° | 179.2° |
| CB | CB1 | CF1 | H19 | 127.9° | 60.8° |
| CD2 | CE3 | CZ3 | H9 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | OH | 180.0° | 180.0° |
| CF1 | NZ | CA1 | CA | 48.2° | 61.8° |
| CF1 | NZ | CJ | CA1 | 122.7° | 124.2° |
| CF1 | NZ | CA1 | H3 | 168.6° | 58.3° |
| CF1 | NZ | CA1 | H4 | 72.2° | 178.3° |
| NZ | CF1 | CB1 | H6 | 112.9° | 60.8° |
| NZ | CF1 | CB1 | H7 | 127.9° | 179.1° |
| CF1 | NZ | CJ | H15 | 180.0° | 64.2° |
| CF1 | NZ | CJ | H16 | 60.0° | 55.8° |
| CF1 | NZ | CJ | H17 | 60.0° | 175.8° |
| NZ | CF1 | H18 | H19 | 118.8° | 119.9° |
| CB | CA | CA1 | H1 | 120.4° | 119.9° |
| CB | CA | CA1 | H2 | 120.4° | 120.0° |
| CB | CA | CA1 | NZ | 7.6° | 59.2° |
| CB | CA | H1 | H2 | 118.8° | 120.1° |
| CB | CA | CA1 | H3 | 112.8° | 60.8° |
| CB | CA | CA1 | H4 | 128.0° | 179.2° |
| CA | CB | CB1 | H6 | 168.3° | 62.3° |
| CA | CB | CB1 | H7 | 72.6° | 177.6° |
| CE3 | CZ3 | CH2 | H13 | 180.0° | 180.0° |
| CE3 | CZ3 | OH | H14 | 0.1° | 89.9° |
| OH | CZ3 | CE3 | H9 | 0.0° | 0.1° |
| OH | CZ3 | CH2 | H13 | 0.1° | 0.0° |
| CA | CA1 | NZ | CJ | 168.4° | 62.3° |
| CA | CA1 | NZ | H3 | 120.4° | 120.1° |
| CA | CA1 | NZ | H4 | 120.4° | 120.0° |
| CA1 | CA | H1 | H2 | 118.7° | 120.1° |
| CA | CA1 | H3 | H4 | 118.8° | 120.0° |
| CA1 | CA | CB | H5 | 64.6° | 62.3° |
| CJ | NZ | CA1 | H3 | 71.2° | 177.6° |
| CJ | NZ | CA1 | H4 | 48.0° | 57.7° |
| NZ | CJ | H15 | H16 | 120.0° | 120.0° |
| NZ | CJ | H15 | H17 | 120.0° | 120.0° |
| NZ | CJ | H16 | H17 | 120.0° | 120.0° |
| CJ | NZ | CF1 | H18 | 56.7° | 57.7° |
| CJ | NZ | CF1 | H19 | 62.4° | 177.7° |
| NZ | CA1 | CA | H1 | 128.0° | 60.7° |
| NZ | CA1 | CA | H2 | 112.8° | 179.2° |
| NZ | CA1 | H3 | H4 | 118.8° | 119.9° |
| CA1 | NZ | CJ | H15 | 57.3° | 60.0° |
| CA1 | NZ | CJ | H16 | 62.7° | 180.0° |
| CA1 | NZ | CJ | H17 | 177.3° | 60.0° |
| CA1 | NZ | CF1 | H18 | 63.8° | 178.2° |
| CA1 | NZ | CF1 | H19 | 177.1° | 58.2° |
| H1 | CA | CA1 | H3 | 7.6° | 179.2° |
| H1 | CA | CA1 | H4 | 111.6° | 59.2° |
| H1 | CA | CB | H5 | 55.8° | 177.8° |
| H2 | CA | CA1 | H3 | 126.8° | 59.1° |
| H2 | CA | CA1 | H4 | 7.6° | 60.9° |
| H2 | CA | CB | H5 | 174.9° | 57.7° |
| H5 | CB | CB1 | H6 | 47.4° | 177.8° |
| H5 | CB | CB1 | H7 | 166.6° | 57.7° |
| H6 | CB1 | CF1 | H18 | 126.7° | 59.3° |
| H6 | CB1 | CF1 | H19 | 7.5° | 179.3° |
| H7 | CB1 | CF1 | H18 | 7.5° | 60.8° |
| H7 | CB1 | CF1 | H19 | 111.7° | 59.2° |
| H8 | CD1 | NE1 | H10 | 0.0° | 0.0° |
| H11 | CZ2 | CH2 | H13 | 0.1° | 0.0° |
| H15 | CJ | H16 | H17 | 120.0° | 120.0° |
