HIX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | NE2 | sing | 1.34Å | 1.37Å | Aromatic |
| CD2 | CG | doub | 1.35Å | 1.38Å | Aromatic |
| NE2 | NE1 | doub | 1.29Å | 1.40Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CG | ND1 | sing | 1.35Å | 1.37Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.57Å | |
| NE1 | ND1 | sing | 1.29Å | 1.40Å | Aromatic |
| O | C | doub | 1.21Å | 1.23Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| 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 | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| ND1 | HD1 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 22.49Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NE2 | CD2 | CG | 104.2° | 106.5° |
| CD2 | NE2 | NE1 | 117.0° | 108.9° |
| NE2 | CD2 | HD2 | 127.9° | 126.7° |
| CD2 | CG | CB | 124.9° | 126.9° |
| CD2 | CG | ND1 | 106.1° | 106.2° |
| CG | CD2 | HD2 | 127.9° | 126.8° |
| NE2 | NE1 | ND1 | 97.0° | 110.2° |
| CB | CG | ND1 | 129.0° | 126.9° |
| CG | CB | CA | 109.5° | 109.5° |
| CG | CB | HB1 | 109.5° | 109.5° |
| CG | CB | HB2 | 109.5° | 109.4° |
| CG | ND1 | NE1 | 115.6° | 108.3° |
| CG | ND1 | HD1 | 122.2° | 125.8° |
| CB | CA | N | 112.6° | 109.5° |
| CB | CA | C | 112.3° | 109.5° |
| CB | CA | HA | 106.3° | 109.5° |
| CA | CB | HB1 | 109.5° | 109.5° |
| CA | CB | HB2 | 109.5° | 109.5° |
| NE1 | ND1 | HD1 | 122.2° | 125.9° |
| O | C | CA | 123.7° | 120.0° |
| O | C | OXT | 138.5° | 120.0° |
| N | CA | C | 111.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 107.2° | 109.5° |
| C | CA | HA | 106.6° | 109.5° |
| CA | C | OXT | 41.8° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB1 | CB | HB2 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NE2 | CD2 | CG | HD2 | 180.0° | 180.0° |
| NE2 | CD2 | CG | CB | 179.7° | 180.0° |
| NE2 | CD2 | CG | ND1 | 0.3° | 0.2° |
| CD2 | NE2 | NE1 | ND1 | 0.2° | 0.1° |
| CG | CD2 | NE2 | NE1 | 0.1° | 0.1° |
| CD2 | CG | CB | ND1 | 179.3° | 179.7° |
| CD2 | CG | CB | CA | 84.9° | 84.7° |
| CD2 | CG | ND1 | NE1 | 0.5° | 0.3° |
| CD2 | CG | CB | HB1 | 155.1° | 155.3° |
| CD2 | CG | CB | HB2 | 35.1° | 35.3° |
| CD2 | CG | ND1 | HD1 | 179.5° | 179.7° |
| NE2 | NE1 | ND1 | CG | 0.4° | 0.2° |
| NE1 | NE2 | CD2 | HD2 | 179.9° | 179.9° |
| NE2 | NE1 | ND1 | HD1 | 179.6° | 179.8° |
| CG | CB | CA | HB1 | 120.0° | 120.0° |
| CG | CB | CA | HB2 | 120.0° | 120.0° |
| CB | CG | ND1 | NE1 | 179.9° | 180.0° |
| CG | CB | CA | N | 64.7° | 65.0° |
| CG | CB | CA | C | 168.5° | 175.0° |
| CG | CB | CA | HA | 52.4° | 55.0° |
| CG | CB | HB1 | HB2 | 120.0° | 119.9° |
| CB | CG | CD2 | HD2 | 0.3° | 0.0° |
| CB | CG | ND1 | HD1 | 0.1° | 0.0° |
| ND1 | CG | CB | CA | 95.9° | 95.0° |
| CG | ND1 | NE1 | HD1 | 180.0° | 180.0° |
| ND1 | CG | CB | HB1 | 24.1° | 25.0° |
| ND1 | CG | CB | HB2 | 144.2° | 145.0° |
| ND1 | CG | CD2 | HD2 | 179.7° | 179.7° |
| CB | CA | C | O | 27.7° | 100.0° |
| CB | CA | N | C | 127.2° | 120.0° |
| CB | CA | N | HA | 116.5° | 120.0° |
| CB | CA | C | HA | 115.9° | 120.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | HB1 | HB2 | 120.0° | 120.0° |
| CB | CA | C | OXT | 99.5° | 80.0° |
| O | C | CA | N | 99.7° | 20.0° |
| O | C | CA | OXT | 127.2° | 180.0° |
| O | C | CA | HA | 143.6° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| N | CA | C | HA | 116.6° | 120.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB1 | 175.3° | 55.0° |
| N | CA | CB | HB2 | 55.3° | 175.0° |
| N | CA | C | OXT | 133.1° | 160.0° |
| C | CA | N | H | 52.8° | 63.9° |
| C | CA | N | H2 | 67.3° | 60.0° |
| C | CA | CB | HB1 | 48.5° | 65.0° |
| C | CA | CB | HB2 | 71.5° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| H | N | CA | HA | 63.5° | 56.1° |
| H2 | N | CA | HA | 176.5° | 180.0° |
| HA | CA | CB | HB1 | 67.7° | 175.0° |
| HA | CA | CB | HB2 | 172.3° | 65.0° |
| HA | CA | C | OXT | 16.5° | 40.0° |
