HSV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NE2 | CD2 | sing | 1.37Å | 1.37Å | Aromatic |
| NE2 | CE1 | sing | 1.35Å | 1.32Å | Aromatic |
| CD2 | CG | doub | 1.35Å | 1.35Å | Aromatic |
| O | C | doub | 1.21Å | 1.23Å | |
| CE1 | ND1 | doub | 1.30Å | 1.32Å | Aromatic |
| CG | ND1 | sing | 1.34Å | 1.38Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.50Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| ND1 | HD1 | sing | 0.97Å | 1.00Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| NE2 | HE2 | sing | 0.97Å | 1.00Å | |
| C | HC | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | NE2 | CE1 | 108.9° | 107.2° |
| NE2 | CD2 | CG | 107.2° | 106.8° |
| NE2 | CD2 | HD2 | 126.4° | 126.6° |
| CD2 | NE2 | HE2 | 125.6° | 126.4° |
| NE2 | CE1 | ND1 | 108.4° | 108.7° |
| NE2 | CE1 | HE1 | 125.8° | 125.6° |
| CE1 | NE2 | HE2 | 125.5° | 126.4° |
| CD2 | CG | ND1 | 106.1° | 108.1° |
| CD2 | CG | CB | 131.2° | 126.0° |
| CG | CD2 | HD2 | 126.4° | 126.6° |
| O | C | CA | 120.8° | 120.0° |
| O | C | HC | 119.6° | 120.0° |
| CE1 | ND1 | CG | 109.4° | 109.2° |
| CE1 | ND1 | HD1 | 125.3° | 125.4° |
| ND1 | CE1 | HE1 | 125.8° | 125.6° |
| ND1 | CG | CB | 122.7° | 126.0° |
| CG | ND1 | HD1 | 125.3° | 125.4° |
| CG | CB | CA | 113.8° | 109.5° |
| CG | CB | HB2 | 108.4° | 109.4° |
| CG | CB | HB3 | 108.4° | 109.5° |
| C | CA | CB | 110.1° | 109.5° |
| C | CA | N | 111.2° | 109.4° |
| C | CA | HA | 108.1° | 109.5° |
| CA | C | HC | 119.6° | 120.0° |
| CB | CA | N | 110.5° | 109.5° |
| CB | CA | HA | 108.0° | 109.5° |
| CA | CB | HB2 | 108.4° | 109.5° |
| CA | CB | HB3 | 108.4° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.9° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | NE2 | CE1 | HE2 | 180.0° | 179.9° |
| NE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| CD2 | NE2 | CE1 | ND1 | 0.0° | 0.4° |
| NE2 | CD2 | CG | ND1 | 0.0° | 0.0° |
| NE2 | CD2 | CG | CB | 180.0° | 179.8° |
| CD2 | NE2 | CE1 | HE1 | 180.0° | 179.9° |
| CE1 | NE2 | CD2 | CG | 0.0° | 0.2° |
| NE2 | CE1 | ND1 | HE1 | 180.0° | 179.6° |
| NE2 | CE1 | ND1 | CG | 0.0° | 0.4° |
| NE2 | CE1 | ND1 | HD1 | 180.0° | 179.6° |
| CE1 | NE2 | CD2 | HD2 | 180.0° | 179.8° |
| CD2 | CG | ND1 | CE1 | 0.0° | 0.2° |
| CD2 | CG | ND1 | CB | 180.0° | 179.8° |
| CD2 | CG | CB | CA | 7.2° | 85.3° |
| CD2 | CG | CB | HB2 | 113.5° | 154.7° |
| CD2 | CG | CB | HB3 | 127.8° | 34.7° |
| CD2 | CG | ND1 | HD1 | 179.9° | 179.8° |
| CG | CD2 | NE2 | HE2 | 180.0° | 179.9° |
| O | C | CA | HC | 180.0° | 180.0° |
| O | C | CA | CB | 121.2° | 119.9° |
| O | C | CA | N | 116.0° | 0.0° |
| O | C | CA | HA | 3.5° | 120.0° |
| CE1 | ND1 | CG | HD1 | 180.0° | 180.0° |
| CE1 | ND1 | CG | CB | 180.0° | 180.0° |
| ND1 | CE1 | NE2 | HE2 | 180.0° | 179.8° |
| ND1 | CG | CB | CA | 172.8° | 95.0° |
| ND1 | CG | CB | HB2 | 66.5° | 25.0° |
| ND1 | CG | CB | HB3 | 52.2° | 145.0° |
| ND1 | CG | CD2 | HD2 | 180.0° | 180.0° |
| CG | ND1 | CE1 | HE1 | 180.0° | 179.9° |
| CG | CB | CA | C | 162.6° | 175.0° |
| CG | CB | CA | HB2 | 120.7° | 120.0° |
| CG | CB | CA | HB3 | 120.6° | 120.0° |
| CG | CB | CA | N | 74.2° | 65.0° |
| CG | CB | CA | HA | 44.8° | 55.0° |
| CG | CB | HB2 | HB3 | 118.0° | 120.0° |
| CB | CG | ND1 | HD1 | 0.0° | 0.0° |
| CB | CG | CD2 | HD2 | 0.0° | 0.2° |
| C | CA | CB | N | 123.2° | 120.0° |
| C | CA | CB | HA | 117.8° | 120.0° |
| C | CA | N | HA | 119.0° | 120.0° |
| C | CA | N | H | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | HB2 | 41.9° | 65.0° |
| C | CA | CB | HB3 | 76.8° | 55.0° |
| CB | CA | N | HA | 118.5° | 120.1° |
| CB | CA | N | H | 57.5° | 176.1° |
| CB | CA | N | H2 | 177.5° | 60.0° |
| CA | CB | HB2 | HB3 | 118.0° | 120.0° |
| CB | CA | C | HC | 58.8° | 60.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB2 | 165.1° | 55.0° |
| N | CA | CB | HB3 | 46.4° | 175.0° |
| N | CA | C | HC | 64.0° | 180.0° |
| H | N | CA | HA | 61.0° | 56.0° |
| H2 | N | CA | HA | 59.0° | 180.0° |
| HA | CA | CB | HB2 | 75.8° | 175.0° |
| HA | CA | CB | HB3 | 165.4° | 65.0° |
| HA | CA | C | HC | 176.5° | 60.0° |
| HD1 | ND1 | CE1 | HE1 | 0.0° | 0.1° |
| HD2 | CD2 | NE2 | HE2 | 0.0° | 0.1° |
| HE1 | CE1 | NE2 | HE2 | 0.0° | 0.2° |
