AHH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.50Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | C1 | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | HCB1 | sing | 1.09Å | 1.11Å | |
| CB | HCB2 | sing | 1.09Å | 1.11Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | HCG1 | sing | 1.09Å | 1.11Å | |
| CG | HCG2 | sing | 1.09Å | 1.11Å | |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| O1 | HO11 | sing | 0.97Å | 0.95Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| CD | CE | sing | 1.53Å | 1.51Å | |
| CD | HCD1 | sing | 1.09Å | 1.11Å | |
| CD | HCD2 | sing | 1.09Å | 1.12Å | |
| CE | HCE1 | sing | 1.09Å | 1.11Å | |
| CE | HCE2 | sing | 1.09Å | 1.11Å | |
| CE | HCE3 | sing | 1.09Å | 1.11Å | |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C1 | HC11 | sing | 1.09Å | 1.12Å | |
| C | OXT | sing | 1.34Å | 1.30Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 110.9° | 106.7° |
| CA | N | H2 | 111.7° | 106.7° |
| N | CA | CB | 110.9° | 109.5° |
| N | CA | C1 | 108.6° | 109.5° |
| N | CA | HA | 107.9° | 109.4° |
| H | N | H2 | 111.6° | 106.7° |
| CB | CA | C1 | 105.5° | 109.5° |
| CB | CA | HA | 110.9° | 109.5° |
| CA | CB | CG | 114.1° | 109.5° |
| CA | CB | HCB1 | 110.5° | 109.5° |
| CA | CB | HCB2 | 110.5° | 109.5° |
| C1 | CA | HA | 113.0° | 109.4° |
| CA | C1 | O1 | 114.9° | 109.5° |
| CA | C1 | C | 109.1° | 109.5° |
| CA | C1 | HC11 | 106.7° | 109.5° |
| CG | CB | HCB1 | 110.5° | 109.5° |
| CG | CB | HCB2 | 110.5° | 109.4° |
| CB | CG | CD | 111.2° | 109.6° |
| CB | CG | HCG1 | 111.5° | 109.5° |
| CB | CG | HCG2 | 111.5° | 109.5° |
| HCB1 | CB | HCB2 | 99.8° | 109.4° |
| CD | CG | HCG1 | 111.6° | 109.5° |
| CD | CG | HCG2 | 111.6° | 109.4° |
| CG | CD | CE | 111.1° | 109.6° |
| CG | CD | HCD1 | 111.6° | 109.5° |
| CG | CD | HCD2 | 111.6° | 109.5° |
| HCG1 | CG | HCG2 | 98.8° | 109.4° |
| C1 | O1 | HO11 | 115.0° | 106.7° |
| O1 | C1 | C | 111.6° | 109.5° |
| O1 | C1 | HC11 | 103.9° | 109.4° |
| O | C | C1 | 118.2° | 120.1° |
| O | C | OXT | 122.6° | 119.9° |
| CE | CD | HCD1 | 111.6° | 109.5° |
| CE | CD | HCD2 | 111.6° | 109.4° |
| CD | CE | HCE1 | 111.1° | 109.6° |
| CD | CE | HCE2 | 111.6° | 109.5° |
| CD | CE | HCE3 | 111.6° | 109.5° |
| HCD1 | CD | HCD2 | 98.8° | 109.4° |
| HCE1 | CE | HCE2 | 111.6° | 109.4° |
| HCE1 | CE | HCE3 | 111.6° | 109.4° |
| HCE2 | CE | HCE3 | 98.8° | 109.4° |
| C | C1 | HC11 | 110.4° | 109.5° |
| C1 | C | OXT | 119.1° | 120.0° |
| C | OXT | HXT | 122.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.8° |
| N | CA | CB | C1 | 117.4° | 120.0° |
| N | CA | CB | HA | 119.9° | 120.0° |
| N | CA | C1 | HA | 119.7° | 119.9° |
| N | CA | CB | CG | 75.8° | 60.0° |
| N | CA | CB | HCB1 | 158.9° | 60.0° |
| N | CA | CB | HCB2 | 49.4° | 180.0° |
| N | CA | C1 | O1 | 44.6° | 60.1° |
| N | CA | C1 | C | 170.8° | 60.0° |
| N | CA | C1 | HC11 | 69.9° | 180.0° |
| H | N | CA | CB | 179.9° | 173.8° |
| H | N | CA | C1 | 64.5° | 53.7° |
| H | N | CA | HA | 58.4° | 66.2° |
| H2 | N | CA | CB | 54.8° | 60.0° |
| H2 | N | CA | C1 | 60.6° | 60.1° |
| H2 | N | CA | HA | 176.5° | 180.0° |
| CB | CA | C1 | HA | 121.4° | 120.0° |
| CA | CB | CG | HCB1 | 125.3° | 120.0° |
| CA | CB | CG | HCB2 | 125.2° | 120.0° |
| CA | CB | HCB1 | HCB2 | 116.3° | 120.0° |
| CA | CB | CG | CD | 163.0° | 180.0° |
| CA | CB | CG | HCG1 | 37.7° | 60.0° |
| CA | CB | CG | HCG2 | 71.8° | 60.0° |
| CB | CA | C1 | O1 | 163.5° | 60.0° |
| CB | CA | C1 | C | 70.4° | 180.0° |
| CB | CA | C1 | HC11 | 48.9° | 60.0° |
| C1 | CA | CB | CG | 166.8° | 180.0° |
| C1 | CA | CB | HCB1 | 41.5° | 60.0° |
| C1 | CA | CB | HCB2 | 67.9° | 60.0° |
| CA | C1 | O1 | C | 124.8° | 120.1° |
| CA | C1 | O1 | HC11 | 116.2° | 120.0° |
| CA | C1 | O1 | HO11 | 180.0° | 60.0° |
| CA | C1 | C | O | 73.2° | 120.0° |
| CA | C1 | C | HC11 | 117.0° | 120.0° |
| CA | C1 | C | OXT | 103.0° | 60.0° |
| HA | CA | CB | CG | 44.1° | 60.0° |
| HA | CA | CB | HCB1 | 81.2° | 180.0° |
| HA | CA | CB | HCB2 | 169.3° | 60.0° |
| HA | CA | C1 | O1 | 75.1° | 180.0° |
| HA | CA | C1 | C | 51.0° | 60.0° |
| HA | CA | C1 | HC11 | 170.3° | 60.0° |
| CG | CB | HCB1 | HCB2 | 116.4° | 119.9° |
| CB | CG | CD | HCG1 | 125.2° | 120.1° |
| CB | CG | CD | HCG2 | 125.2° | 120.0° |
| CB | CG | HCG1 | HCG2 | 117.4° | 120.0° |
| CB | CG | CD | CE | 178.0° | 180.0° |
| CB | CG | CD | HCD1 | 52.7° | 59.9° |
| CB | CG | CD | HCD2 | 56.8° | 60.0° |
| HCB1 | CB | CG | CD | 71.8° | 59.9° |
| HCB1 | CB | CG | HCG1 | 162.9° | 180.0° |
| HCB1 | CB | CG | HCG2 | 53.5° | 60.0° |
| HCB2 | CB | CG | CD | 37.7° | 60.0° |
| HCB2 | CB | CG | HCG1 | 87.5° | 60.1° |
| HCB2 | CB | CG | HCG2 | 163.0° | 180.0° |
| CD | CG | HCG1 | HCG2 | 117.5° | 119.9° |
| CG | CD | CE | HCD1 | 125.3° | 120.1° |
| CG | CD | CE | HCD2 | 125.2° | 120.0° |
| CG | CD | HCD1 | HCD2 | 117.5° | 120.0° |
| CG | CD | CE | HCE1 | 180.0° | 180.0° |
| CG | CD | CE | HCE2 | 54.7° | 60.0° |
| CG | CD | CE | HCE3 | 54.7° | 59.9° |
| HCG1 | CG | CD | CE | 56.8° | 59.9° |
| HCG1 | CG | CD | HCD1 | 177.9° | 180.0° |
| HCG1 | CG | CD | HCD2 | 68.4° | 60.1° |
| HCG2 | CG | CD | CE | 52.7° | 60.0° |
| HCG2 | CG | CD | HCD1 | 72.6° | 60.1° |
| HCG2 | CG | CD | HCD2 | 178.0° | 180.0° |
| O1 | C1 | C | O | 54.9° | 0.0° |
| O1 | C1 | C | HC11 | 115.0° | 120.0° |
| O1 | C1 | C | OXT | 129.0° | 180.0° |
| HO11 | O1 | C1 | C | 55.2° | 60.1° |
| HO11 | O1 | C1 | HC11 | 63.8° | 179.9° |
| O | C | C1 | OXT | 176.2° | 180.0° |
| O | C | C1 | HC11 | 169.8° | 120.0° |
| O | C | OXT | HXT | 180.0° | 0.0° |
| CE | CD | HCD1 | HCD2 | 117.5° | 119.9° |
| CD | CE | HCE1 | HCE2 | 125.2° | 120.0° |
| CD | CE | HCE1 | HCE3 | 125.2° | 120.1° |
| CD | CE | HCE2 | HCE3 | 117.5° | 120.0° |
| HCD1 | CD | CE | HCE1 | 54.7° | 60.0° |
| HCD1 | CD | CE | HCE2 | 180.0° | 60.0° |
| HCD1 | CD | CE | HCE3 | 70.6° | 180.0° |
| HCD2 | CD | CE | HCE1 | 54.7° | 60.0° |
| HCD2 | CD | CE | HCE2 | 70.5° | 180.0° |
| HCD2 | CD | CE | HCE3 | 180.0° | 60.1° |
| HCE1 | CE | HCE2 | HCE3 | 117.6° | 119.9° |
| C1 | C | OXT | HXT | 4.1° | 180.0° |
| HC11 | C1 | C | OXT | 14.0° | 60.0° |
