3AH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | CD2 | doub | 1.34Å | 1.35Å | Aromatic |
| CG | ND1 | sing | 1.34Å | 1.38Å | Aromatic |
| CD2 | NE2 | sing | 1.37Å | 1.38Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| ND1 | CE1 | doub | 1.30Å | 1.32Å | Aromatic |
| CE1 | NE2 | sing | 1.36Å | 1.32Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| NE2 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| N1 | N2 | sing | 1.40Å | 1.33Å | Aromatic |
| N1 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N2 | C3 | doub | 1.31Å | 1.29Å | Aromatic |
| C3 | N4 | sing | 1.34Å | 1.32Å | Aromatic |
| C3 | N3A | sing | 1.40Å | 1.39Å | |
| N4 | C5 | doub | 1.31Å | 1.32Å | Aromatic |
| N3A | HN31 | sing | 0.97Å | 1.02Å | |
| N3A | HN32 | sing | 0.97Å | 1.02Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 111.2° | 106.7° |
| CA | N | H2 | 111.5° | 106.7° |
| N | CA | CB | 111.2° | 109.5° |
| N | CA | C | 111.8° | 109.4° |
| N | CA | HA | 106.3° | 109.4° |
| H | N | H2 | 111.6° | 106.7° |
| CB | CA | C | 108.4° | 109.5° |
| CB | CA | HA | 109.8° | 109.5° |
| CA | CB | CG | 114.4° | 109.5° |
| CA | CB | HB2 | 110.4° | 109.5° |
| CA | CB | HB3 | 110.4° | 109.4° |
| C | CA | HA | 109.2° | 109.4° |
| CA | C | O | 120.8° | 120.0° |
| CA | C | OXT | 116.3° | 120.1° |
| CG | CB | HB2 | 110.4° | 109.5° |
| CG | CB | HB3 | 110.3° | 109.5° |
| CB | CG | CD2 | 131.3° | 125.9° |
| CB | CG | ND1 | 122.3° | 125.9° |
| HB2 | CB | HB3 | 99.9° | 109.4° |
| CD2 | CG | ND1 | 106.4° | 108.2° |
| CG | CD2 | NE2 | 107.1° | 106.9° |
| CG | CD2 | HD2 | 125.8° | 126.6° |
| CG | ND1 | CE1 | 109.3° | 109.4° |
| NE2 | CD2 | HD2 | 127.1° | 126.5° |
| CD2 | NE2 | CE1 | 108.8° | 106.9° |
| CD2 | NE2 | C5 | 140.6° | 126.6° |
| ND1 | CE1 | NE2 | 108.4° | 108.6° |
| ND1 | CE1 | HE1 | 125.9° | 125.8° |
| NE2 | CE1 | HE1 | 125.7° | 125.7° |
| CE1 | NE2 | C5 | 109.8° | 126.5° |
| NE2 | C5 | N1 | 112.8° | 126.0° |
| NE2 | C5 | N4 | 129.4° | 126.0° |
| O | C | OXT | 122.9° | 120.0° |
| C | OXT | HXT | 116.2° | 120.0° |
| N2 | N1 | C5 | 106.5° | 106.5° |
| N2 | N1 | HN1 | 125.4° | 126.8° |
| N1 | N2 | C3 | 103.4° | 106.9° |
| C5 | N1 | HN1 | 128.0° | 126.7° |
| N1 | C5 | N4 | 111.5° | 108.0° |
| N2 | C3 | N4 | 118.2° | 108.9° |
| N2 | C3 | N3A | 124.1° | 125.6° |
| N4 | C3 | N3A | 117.7° | 125.5° |
| C3 | N4 | C5 | 100.4° | 109.7° |
| C3 | N3A | HN31 | 124.1° | 119.9° |
| C3 | N3A | HN32 | 107.1° | 120.0° |
| HN31 | N3A | HN32 | 107.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.7° |
| N | CA | CB | C | 123.4° | 120.0° |
| N | CA | CB | HA | 117.4° | 120.0° |
| N | CA | C | HA | 117.4° | 119.9° |
| N | CA | CB | CG | 61.3° | 60.0° |
| N | CA | CB | HB2 | 63.9° | 60.0° |
| N | CA | CB | HB3 | 173.5° | 180.0° |
| N | CA | C | O | 146.1° | 30.1° |
| N | CA | C | OXT | 31.2° | 150.0° |
| H | N | CA | CB | 180.0° | 53.8° |
| H | N | CA | C | 58.6° | 173.8° |
| H | N | CA | HA | 60.5° | 66.3° |
| H2 | N | CA | CB | 54.7° | 60.0° |
| H2 | N | CA | C | 176.1° | 60.1° |
| H2 | N | CA | HA | 64.8° | 180.0° |
| CB | CA | C | HA | 119.6° | 120.1° |
| CA | CB | CG | HB2 | 125.3° | 120.1° |
| CA | CB | CG | HB3 | 125.2° | 120.0° |
| CA | CB | HB2 | HB3 | 116.3° | 120.0° |
| CA | CB | CG | CD2 | 102.8° | 120.1° |
| CA | CB | CG | ND1 | 78.4° | 60.3° |
| CB | CA | C | O | 23.1° | 89.9° |
| CB | CA | C | OXT | 154.2° | 90.0° |
| C | CA | CB | CG | 175.3° | 180.0° |
| C | CA | CB | HB2 | 59.4° | 60.0° |
| C | CA | CB | HB3 | 50.1° | 60.0° |
| CA | C | O | OXT | 177.1° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | CB | CG | 56.0° | 60.0° |
| HA | CA | CB | HB2 | 178.7° | 180.0° |
| HA | CA | CB | HB3 | 69.2° | 60.0° |
| HA | CA | C | O | 96.6° | 150.0° |
| HA | CA | C | OXT | 86.1° | 30.1° |
| CG | CB | HB2 | HB3 | 116.2° | 120.0° |
| CB | CG | CD2 | ND1 | 179.0° | 179.7° |
| CB | CG | CD2 | NE2 | 178.8° | 180.0° |
| CB | CG | CD2 | HD2 | 1.3° | 0.1° |
| CB | CG | ND1 | CE1 | 178.9° | 179.9° |
| HB2 | CB | CG | CD2 | 131.9° | 0.0° |
| HB2 | CB | CG | ND1 | 46.9° | 179.6° |
| HB3 | CB | CG | CD2 | 22.4° | 120.0° |
| HB3 | CB | CG | ND1 | 156.4° | 59.6° |
| CG | CD2 | NE2 | HD2 | 180.0° | 179.9° |
| CD2 | CG | ND1 | CE1 | 0.2° | 0.4° |
| CG | CD2 | NE2 | CE1 | 0.1° | 0.1° |
| CG | CD2 | NE2 | C5 | 168.7° | 180.0° |
| ND1 | CG | CD2 | NE2 | 0.2° | 0.3° |
| ND1 | CG | CD2 | HD2 | 179.8° | 179.8° |
| CG | ND1 | CE1 | NE2 | 0.1° | 0.4° |
| CG | ND1 | CE1 | HE1 | 179.9° | 179.7° |
| CD2 | NE2 | CE1 | ND1 | 0.0° | 0.2° |
| CD2 | NE2 | CE1 | C5 | 172.3° | 180.0° |
| CD2 | NE2 | CE1 | HE1 | 179.9° | 179.9° |
| CD2 | NE2 | C5 | N1 | 44.8° | 140.3° |
| CD2 | NE2 | C5 | N4 | 165.9° | 39.9° |
| HD2 | CD2 | NE2 | CE1 | 179.8° | 180.0° |
| HD2 | CD2 | NE2 | C5 | 11.3° | 0.0° |
| ND1 | CE1 | NE2 | HE1 | 180.0° | 179.9° |
| ND1 | CE1 | NE2 | C5 | 172.3° | 179.8° |
| CE1 | NE2 | C5 | N1 | 146.7° | 39.7° |
| CE1 | NE2 | C5 | N4 | 2.6° | 140.1° |
| HE1 | CE1 | NE2 | C5 | 7.7° | 0.1° |
| NE2 | C5 | N1 | N2 | 154.9° | 180.0° |
| NE2 | C5 | N1 | N4 | 154.9° | 179.8° |
| NE2 | C5 | N1 | HN1 | 25.1° | 0.1° |
| NE2 | C5 | N4 | C3 | 149.2° | 179.9° |
| O | C | OXT | HXT | 2.8° | 0.1° |
| N2 | N1 | C5 | HN1 | 180.0° | 179.9° |
| N1 | N2 | C3 | N4 | 0.6° | 0.2° |
| N1 | N2 | C3 | N3A | 179.8° | 179.9° |
| N2 | N1 | C5 | N4 | 0.1° | 0.1° |
| C5 | N1 | N2 | C3 | 0.3° | 0.1° |
| N1 | C5 | N4 | C3 | 0.4° | 0.3° |
| HN1 | N1 | N2 | C3 | 179.7° | 180.0° |
| HN1 | N1 | C5 | N4 | 179.9° | 179.8° |
| N2 | C3 | N4 | N3A | 179.6° | 179.8° |
| N2 | C3 | N4 | C5 | 0.7° | 0.3° |
| N2 | C3 | N3A | HN31 | 180.0° | 0.1° |
| N2 | C3 | N3A | HN32 | 54.7° | 179.9° |
| N4 | C3 | N3A | HN31 | 0.4° | 179.8° |
| N4 | C3 | N3A | HN32 | 124.9° | 0.1° |
| N3A | C3 | N4 | C5 | 179.7° | 179.8° |
| C3 | N3A | HN31 | HN32 | 125.3° | 179.9° |
