YHA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OQ | CX | doub | 1.22Å | 1.24Å | |
| NZ | CX | sing | 1.35Å | 1.40Å | |
| NZ | CE | sing | 1.47Å | 1.42Å | |
| CX | NQ | sing | 1.35Å | 1.35Å | |
| CE | CD | sing | 1.53Å | 1.55Å | |
| CD | CG | sing | 1.53Å | 1.58Å | |
| CG | CB | sing | 1.53Å | 1.55Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| O | C | doub | 1.21Å | 1.18Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | 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 | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CE | HE2 | sing | 1.09Å | 1.10Å | |
| CE | HE3 | sing | 1.09Å | 1.10Å | |
| NZ | HZ1 | sing | 0.97Å | 1.00Å | |
| NQ | HQ2 | sing | 0.97Å | 1.00Å | |
| NQ | HQ1 | sing | 0.97Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OQ | CX | NZ | 117.8° | 120.0° |
| OQ | CX | NQ | 120.2° | 120.0° |
| CX | NZ | CE | 124.2° | 120.1° |
| NZ | CX | NQ | 122.0° | 120.0° |
| CX | NZ | HZ1 | 117.9° | 120.0° |
| NZ | CE | CD | 106.0° | 109.5° |
| NZ | CE | HE2 | 110.3° | 109.4° |
| NZ | CE | HE3 | 110.3° | 109.4° |
| CE | NZ | HZ1 | 117.9° | 119.9° |
| CX | NQ | HQ2 | 120.0° | 120.0° |
| CX | NQ | HQ1 | 120.0° | 120.0° |
| CE | CD | CG | 114.6° | 109.4° |
| CE | CD | HD2 | 108.2° | 109.4° |
| CE | CD | HD3 | 108.2° | 109.5° |
| CD | CE | HE2 | 110.3° | 109.5° |
| CD | CE | HE3 | 110.4° | 109.6° |
| CD | CG | CB | 116.0° | 109.5° |
| CD | CG | HG2 | 107.8° | 109.5° |
| CD | CG | HG3 | 107.8° | 109.5° |
| CG | CD | HD2 | 108.2° | 109.5° |
| CG | CD | HD3 | 108.2° | 109.5° |
| CG | CB | CA | 113.8° | 109.5° |
| CG | CB | HB2 | 108.4° | 109.4° |
| CG | CB | HB3 | 108.4° | 109.5° |
| CB | CG | HG2 | 107.8° | 109.4° |
| CB | CG | HG3 | 107.8° | 109.5° |
| CB | CA | C | 114.6° | 109.4° |
| CB | CA | N | 110.7° | 109.5° |
| CB | CA | HA | 108.3° | 109.4° |
| CA | CB | HB2 | 108.4° | 109.5° |
| CA | CB | HB3 | 108.4° | 109.5° |
| C | CA | N | 106.9° | 109.5° |
| CA | C | O | 119.0° | 120.0° |
| C | CA | HA | 107.6° | 109.5° |
| CA | C | OXT | 118.7° | 120.0° |
| CA | N | H2 | 109.5° | 110.9° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 108.6° | 109.5° |
| O | C | OXT | 122.3° | 120.0° |
| H2 | N | H | 109.5° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| HG2 | CG | HG3 | 109.5° | 109.5° |
| HD2 | CD | HD3 | 109.5° | 109.5° |
| HE2 | CE | HE3 | 109.5° | 109.4° |
| HQ2 | NQ | HQ1 | 120.0° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OQ | CX | NZ | NQ | 178.6° | 179.9° |
| OQ | CX | NZ | CE | 178.8° | 0.0° |
| OQ | CX | NZ | HZ1 | 1.2° | 180.0° |
| OQ | CX | NQ | HQ2 | 0.0° | 180.0° |
| OQ | CX | NQ | HQ1 | 180.0° | 0.0° |
| CX | NZ | CE | HZ1 | 180.0° | 180.0° |
| CX | NZ | CE | CD | 117.8° | 180.0° |
| CX | NZ | CE | HE2 | 122.7° | 60.0° |
| CX | NZ | CE | HE3 | 1.6° | 59.9° |
| NZ | CX | NQ | HQ2 | 178.5° | 0.0° |
| NZ | CX | NQ | HQ1 | 1.4° | 180.0° |
| CE | NZ | CX | NQ | 2.5° | 180.0° |
| NZ | CE | CD | HE2 | 119.4° | 119.9° |
| NZ | CE | CD | HE3 | 119.4° | 120.0° |
| NZ | CE | CD | CG | 35.4° | 180.0° |
| NZ | CE | CD | HD2 | 85.4° | 60.1° |
| NZ | CE | CD | HD3 | 156.1° | 60.0° |
| NZ | CE | HE2 | HE3 | 121.6° | 119.9° |
| NQ | CX | NZ | HZ1 | 177.4° | 0.0° |
| CX | NQ | HQ2 | HQ1 | 180.0° | 180.0° |
| CE | CD | CG | HD2 | 120.8° | 119.9° |
| CE | CD | CG | HD3 | 120.8° | 120.0° |
| CE | CD | CG | CB | 163.3° | 180.0° |
| CE | CD | CG | HG2 | 42.3° | 60.0° |
| CE | CD | CG | HG3 | 75.8° | 60.0° |
| CE | CD | HD2 | HD3 | 117.7° | 120.0° |
| CD | CE | HE2 | HE3 | 121.7° | 120.1° |
| CD | CE | NZ | HZ1 | 62.2° | 0.0° |
| CD | CG | CB | HG2 | 121.0° | 120.0° |
| CD | CG | CB | HG3 | 120.9° | 120.0° |
| CD | CG | CB | CA | 179.6° | NaN° |
| CD | CG | CB | HB2 | 59.0° | 60.1° |
| CD | CG | CB | HB3 | 59.7° | 59.9° |
| CD | CG | HG2 | HG3 | 117.0° | 120.0° |
| CG | CD | HD2 | HD3 | 117.7° | 120.0° |
| CG | CD | CE | HE2 | 154.8° | 60.0° |
| CG | CD | CE | HE3 | 84.1° | 60.0° |
| CG | CB | CA | HB2 | 120.6° | 119.9° |
| CG | CB | CA | HB3 | 120.7° | 120.1° |
| CG | CB | CA | C | 165.3° | 175.0° |
| CG | CB | CA | N | 73.7° | 65.0° |
| CG | CB | CA | HA | 45.2° | 55.0° |
| CG | CB | HB2 | HB3 | 118.0° | 120.0° |
| CB | CG | HG2 | HG3 | 117.0° | 120.0° |
| CB | CG | CD | HD2 | 75.9° | 60.1° |
| CB | CG | CD | HD3 | 42.5° | 60.0° |
| CB | CA | C | N | 123.1° | 120.0° |
| CB | CA | C | HA | 120.4° | 120.0° |
| CB | CA | N | HA | 118.7° | 120.0° |
| CB | CA | C | O | 77.3° | 100.0° |
| CB | CA | N | H2 | 180.0° | 176.1° |
| CB | CA | N | H | 60.0° | 60.0° |
| CA | CB | HB2 | HB3 | 118.0° | 120.0° |
| CA | CB | CG | HG2 | 59.4° | 60.0° |
| CA | CB | CG | HG3 | 58.7° | 60.0° |
| CB | CA | C | OXT | 104.3° | 80.0° |
| C | CA | N | HA | 115.8° | 120.1° |
| CA | C | O | OXT | 178.3° | 180.0° |
| C | CA | N | H2 | 54.6° | 64.0° |
| C | CA | N | H | 65.4° | 59.9° |
| C | CA | CB | HB2 | 44.7° | 65.1° |
| C | CA | CB | HB3 | 74.1° | 55.0° |
| CA | C | OXT | HXT | 178.3° | 180.0° |
| N | CA | C | O | 159.6° | 19.9° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | CB | HB2 | 165.7° | 54.9° |
| N | CA | CB | HB3 | 46.9° | 175.0° |
| N | CA | C | OXT | 18.8° | 160.0° |
| O | C | CA | HA | 43.1° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H2 | N | CA | HA | 61.3° | 56.1° |
| H | N | CA | HA | 178.7° | 180.0° |
| HA | CA | CB | HB2 | 75.4° | 175.0° |
| HA | CA | CB | HB3 | 165.9° | 65.0° |
| HA | CA | C | OXT | 135.3° | 40.0° |
| HB2 | CB | CG | HG2 | 180.0° | 180.0° |
| HB2 | CB | CG | HG3 | 62.0° | 60.0° |
| HB3 | CB | CG | HG2 | 61.2° | 60.1° |
| HB3 | CB | CG | HG3 | 179.3° | 180.0° |
| HG2 | CG | CD | HD2 | 163.1° | 180.0° |
| HG2 | CG | CD | HD3 | 78.4° | 60.0° |
| HG3 | CG | CD | HD2 | 45.0° | 59.9° |
| HG3 | CG | CD | HD3 | 163.5° | 180.0° |
| HD2 | CD | CE | HE2 | 34.0° | 180.0° |
| HD2 | CD | CE | HE3 | 155.2° | 60.0° |
| HD3 | CD | CE | HE2 | 84.4° | 60.0° |
| HD3 | CD | CE | HE3 | 36.7° | 180.0° |
| HE2 | CE | NZ | HZ1 | 57.2° | 120.0° |
| HE3 | CE | NZ | HZ1 | 178.3° | 120.1° |
