HD0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.23Å | |
| C | C1 | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| NAS | C1 | sing | 1.46Å | 1.47Å | |
| NAS | CAU | sing | 1.34Å | 1.33Å | |
| NAS | CAX | sing | 1.34Å | 1.47Å | |
| C1 | CB | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CG | ND1 | sing | 1.37Å | 1.33Å | Aromatic |
| CG | CD2 | doub | 1.35Å | 1.33Å | Aromatic |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | CAU | sing | 1.51Å | 1.53Å | |
| CA | CAW | sing | 1.54Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CAU | OAV | doub | 1.21Å | 1.23Å | |
| CAW | CAX | sing | 1.51Å | 1.53Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| CAW | HAWA | sing | 1.09Å | 1.10Å | |
| CAX | OAY | doub | 1.21Å | 1.43Å | |
| ND1 | CE1 | sing | 1.35Å | 1.33Å | Aromatic |
| ND1 | HND1 | sing | 0.97Å | 1.00Å | |
| CD2 | NE2 | sing | 1.34Å | 1.33Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | NE2 | doub | 1.30Å | 1.33Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C1 | 121.3° | 120.0° |
| O | C | OXT | 119.4° | 120.0° |
| C1 | C | OXT | 119.4° | 120.1° |
| C | C1 | NAS | 105.9° | 109.5° |
| C | C1 | CB | 111.2° | 109.4° |
| C | C1 | H1 | 111.1° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| C1 | NAS | CAU | 118.9° | 122.8° |
| C1 | NAS | CAX | 131.8° | 122.8° |
| NAS | C1 | CB | 110.7° | 109.5° |
| NAS | C1 | H1 | 111.6° | 109.5° |
| CAU | NAS | CAX | 109.2° | 114.5° |
| NAS | CAU | CA | 112.4° | 109.2° |
| NAS | CAU | OAV | 124.2° | 125.4° |
| NAS | CAX | CAW | 105.9° | 109.2° |
| NAS | CAX | OAY | 110.2° | 125.4° |
| CB | C1 | H1 | 106.3° | 109.5° |
| C1 | CB | CG | 112.8° | 109.4° |
| C1 | CB | HB | 108.4° | 109.5° |
| C1 | CB | HBA | 108.4° | 109.5° |
| CG | CB | HB | 108.4° | 109.4° |
| CG | CB | HBA | 108.4° | 109.4° |
| CB | CG | ND1 | 124.9° | 126.6° |
| CB | CG | CD2 | 127.3° | 126.6° |
| HB | CB | HBA | 110.5° | 109.5° |
| ND1 | CG | CD2 | 107.8° | 106.8° |
| CG | ND1 | CE1 | 108.2° | 107.3° |
| CG | ND1 | HND1 | 125.9° | 126.4° |
| CG | CD2 | NE2 | 108.2° | 108.0° |
| CG | CD2 | HD2 | 125.9° | 126.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | CAU | 110.7° | 110.6° |
| N | CA | CAW | 113.9° | 110.5° |
| N | CA | HA | 103.5° | 110.5° |
| H2 | N | H | 109.5° | 111.0° |
| CAU | CA | CAW | 101.9° | 103.6° |
| CAU | CA | HA | 115.2° | 110.6° |
| CA | CAU | OAV | 123.3° | 125.4° |
| CAW | CA | HA | 112.1° | 110.9° |
| CA | CAW | CAX | 103.4° | 103.6° |
| CA | CAW | HAW | 111.5° | 110.6° |
| CA | CAW | HAWA | 111.6° | 110.6° |
| CAX | CAW | HAW | 111.5° | 110.7° |
| CAX | CAW | HAWA | 111.5° | 110.6° |
| CAW | CAX | OAY | 111.7° | 125.4° |
| HAW | CAW | HAWA | 107.4° | 110.6° |
| CE1 | ND1 | HND1 | 125.9° | 126.3° |
| ND1 | CE1 | NE2 | 108.0° | 108.6° |
| ND1 | CE1 | HE1 | 126.0° | 125.7° |
| NE2 | CD2 | HD2 | 125.9° | 126.0° |
| CD2 | NE2 | CE1 | 107.9° | 109.3° |
| NE2 | CE1 | HE1 | 126.0° | 125.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C1 | OXT | 180.0° | 179.7° |
| O | C | C1 | NAS | 148.3° | 0.0° |
| O | C | C1 | CB | 91.3° | 120.0° |
| O | C | C1 | H1 | 26.9° | 120.1° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | C1 | NAS | CB | 120.7° | 120.0° |
| C | C1 | NAS | H1 | 121.0° | 120.0° |
| C | C1 | NAS | CAU | 77.0° | 120.0° |
| C | C1 | NAS | CAX | 102.9° | 59.7° |
| C | C1 | CB | H1 | 121.1° | 119.9° |
| C | C1 | CB | CG | 86.6° | 174.9° |
| C | C1 | CB | HB | 153.4° | 65.1° |
| C | C1 | CB | HBA | 33.4° | 55.0° |
| C1 | C | OXT | HXT | 180.0° | 179.7° |
| OXT | C | C1 | NAS | 31.7° | 179.7° |
| OXT | C | C1 | CB | 88.7° | 59.7° |
| OXT | C | C1 | H1 | 153.1° | 60.3° |
| C1 | NAS | CAU | CAX | 180.0° | 179.7° |
| NAS | C1 | CB | H1 | 121.4° | 120.0° |
| NAS | C1 | CB | CG | 155.9° | 65.0° |
| NAS | C1 | CB | HB | 35.9° | 54.9° |
| NAS | C1 | CB | HBA | 84.1° | 175.0° |
| C1 | NAS | CAU | CA | 179.2° | 180.0° |
| C1 | NAS | CAU | OAV | 3.9° | 0.0° |
| C1 | NAS | CAX | CAW | 162.8° | 180.0° |
| C1 | NAS | CAX | OAY | 76.3° | 0.0° |
| CAU | NAS | C1 | CB | 162.3° | 120.0° |
| CAU | NAS | C1 | H1 | 44.0° | 0.0° |
| NAS | CAU | CA | N | 105.8° | 118.6° |
| NAS | CAU | CA | OAV | 176.9° | 180.0° |
| NAS | CAU | CA | CAW | 15.7° | 0.2° |
| NAS | CAU | CA | HA | 137.3° | 118.7° |
| CAU | NAS | CAX | CAW | 17.2° | 0.3° |
| CAU | NAS | CAX | OAY | 103.7° | 179.7° |
| CAX | NAS | C1 | CB | 17.8° | 60.3° |
| CAX | NAS | C1 | H1 | 136.0° | 179.7° |
| CAX | NAS | CAU | CA | 0.8° | 0.3° |
| NAS | CAX | CAW | CA | 26.1° | 0.2° |
| CAX | NAS | CAU | OAV | 176.1° | 179.7° |
| NAS | CAX | CAW | OAY | 119.9° | 180.0° |
| NAS | CAX | CAW | HAW | 93.9° | 118.4° |
| NAS | CAX | CAW | HAWA | 146.1° | 118.7° |
| C1 | CB | CG | HB | 120.0° | 120.0° |
| C1 | CB | CG | HBA | 120.0° | 120.0° |
| C1 | CB | HB | HBA | 118.6° | 120.1° |
| C1 | CB | CG | ND1 | 152.7° | 95.0° |
| C1 | CB | CG | CD2 | 26.2° | 85.4° |
| H1 | C1 | CB | CG | 34.4° | 55.0° |
| H1 | C1 | CB | HB | 85.6° | 175.0° |
| H1 | C1 | CB | HBA | 154.4° | 65.0° |
| CG | CB | HB | HBA | 118.7° | 120.0° |
| CB | CG | ND1 | CD2 | 179.1° | 179.7° |
| CB | CG | ND1 | CE1 | 178.9° | 179.9° |
| CB | CG | ND1 | HND1 | 1.1° | 0.1° |
| CB | CG | CD2 | NE2 | 178.9° | 180.0° |
| CB | CG | CD2 | HD2 | 1.0° | 0.0° |
| HB | CB | CG | ND1 | 32.7° | 25.0° |
| HB | CB | CG | CD2 | 146.2° | 154.7° |
| HBA | CB | CG | ND1 | 87.3° | 145.0° |
| HBA | CB | CG | CD2 | 93.8° | 34.6° |
| CG | ND1 | CE1 | HND1 | 180.0° | 179.9° |
| ND1 | CG | CD2 | NE2 | 0.1° | 0.3° |
| ND1 | CG | CD2 | HD2 | 179.9° | 179.7° |
| CG | ND1 | CE1 | NE2 | 0.2° | 0.1° |
| CG | ND1 | CE1 | HE1 | 179.8° | 179.9° |
| CD2 | CG | ND1 | CE1 | 0.2° | 0.3° |
| CD2 | CG | ND1 | HND1 | 179.8° | 179.8° |
| CG | CD2 | NE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | NE2 | CE1 | 0.0° | 0.2° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | CAU | CAW | 121.5° | 118.4° |
| N | CA | CAU | HA | 116.9° | 122.7° |
| N | CA | CAW | HA | 117.1° | 122.9° |
| N | CA | CAU | OAV | 71.1° | 61.5° |
| N | CA | CAW | CAX | 94.8° | 118.4° |
| N | CA | CAW | HAW | 145.2° | 122.9° |
| N | CA | CAW | HAWA | 25.1° | 0.0° |
| H2 | N | CA | CAU | 180.0° | 61.4° |
| H2 | N | CA | CAW | 65.9° | 175.5° |
| H2 | N | CA | HA | 56.1° | 61.4° |
| H | N | CA | CAU | 60.0° | 62.5° |
| H | N | CA | CAW | 174.1° | 51.6° |
| H | N | CA | HA | 63.9° | 174.7° |
| CAU | CA | CAW | HA | 123.7° | 118.7° |
| CAU | CA | CAW | CAX | 24.4° | 0.0° |
| CAU | CA | CAW | HAW | 95.5° | 118.6° |
| CAU | CA | CAW | HAWA | 144.4° | 118.5° |
| CAW | CA | CAU | OAV | 167.4° | 179.9° |
| CA | CAW | CAX | HAW | 120.0° | 118.5° |
| CA | CAW | CAX | HAWA | 120.0° | 118.5° |
| CA | CAW | HAW | HAWA | 122.5° | 122.9° |
| CA | CAW | CAX | OAY | 93.8° | 179.9° |
| HA | CA | CAU | OAV | 45.8° | 61.3° |
| HA | CA | CAW | CAX | 148.1° | 118.7° |
| HA | CA | CAW | HAW | 28.1° | 0.1° |
| HA | CA | CAW | HAWA | 91.9° | 122.9° |
| CAX | CAW | HAW | HAWA | 122.5° | 122.9° |
| HAW | CAW | CAX | OAY | 146.2° | 61.6° |
| HAWA | CAW | CAX | OAY | 26.2° | 61.4° |
| ND1 | CE1 | NE2 | CD2 | 0.1° | 0.0° |
| ND1 | CE1 | NE2 | HE1 | 180.0° | 179.9° |
| HND1 | ND1 | CE1 | NE2 | 179.8° | 179.9° |
| HND1 | ND1 | CE1 | HE1 | 0.2° | 0.0° |
| CD2 | NE2 | CE1 | HE1 | 179.9° | 179.9° |
| HD2 | CD2 | NE2 | CE1 | 180.0° | 179.8° |
