AHE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | CA1 | sing | 1.47Å | 1.47Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| CA1 | CB1 | sing | 1.53Å | 1.53Å | |
| CA1 | C1 | sing | 1.51Å | 1.52Å | |
| CA1 | HA1 | sing | 1.09Å | 1.12Å | |
| CB1 | CG1 | sing | 1.53Å | 1.54Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.11Å | |
| CG1 | CD1 | sing | 1.51Å | 1.51Å | |
| CG1 | HG11 | sing | 1.09Å | 1.12Å | |
| CG1 | HG12 | sing | 1.09Å | 1.12Å | |
| CD1 | OE1 | doub | 1.21Å | 1.22Å | |
| CD1 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | CA2 | sing | 1.46Å | 1.48Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| CA2 | CB2 | sing | 1.53Å | 1.54Å | |
| CA2 | C2 | sing | 1.51Å | 1.52Å | |
| CA2 | HA2 | sing | 1.09Å | 1.11Å | |
| CB2 | SG2 | sing | 1.81Å | 1.81Å | |
| CB2 | HB21 | sing | 1.09Å | 1.11Å | |
| CB2 | HB22 | sing | 1.09Å | 1.11Å | |
| SG2 | CD2 | sing | 1.81Å | 1.80Å | |
| CD2 | OE2 | sing | 1.43Å | 1.43Å | |
| CD2 | HD21 | sing | 1.09Å | 1.11Å | |
| CD2 | HD22 | sing | 1.09Å | 1.11Å | |
| OE2 | HE2 | sing | 0.97Å | 0.95Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | CA3 | sing | 1.46Å | 1.47Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| CA3 | C3 | sing | 1.51Å | 1.51Å | |
| CA3 | HA31 | sing | 1.09Å | 1.11Å | |
| CA3 | HA32 | sing | 1.09Å | 1.11Å | |
| C3 | O31 | sing | 1.34Å | 1.22Å | |
| C3 | O32 | doub | 1.21Å | 1.34Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| C1 | O11 | sing | 1.34Å | 1.21Å | |
| C1 | O12 | doub | 1.21Å | 1.34Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | HN11 | 108.3° | 106.7° |
| CA1 | N1 | HN12 | 112.6° | 106.7° |
| N1 | CA1 | CB1 | 108.3° | 109.5° |
| N1 | CA1 | C1 | 109.7° | 109.5° |
| N1 | CA1 | HA1 | 110.1° | 109.5° |
| HN11 | N1 | HN12 | 112.6° | 106.7° |
| CB1 | CA1 | C1 | 109.8° | 109.5° |
| CB1 | CA1 | HA1 | 110.2° | 109.4° |
| CA1 | CB1 | CG1 | 109.7° | 109.5° |
| CA1 | CB1 | HB11 | 112.1° | 109.4° |
| CA1 | CB1 | HB12 | 112.1° | 109.5° |
| C1 | CA1 | HA1 | 108.7° | 109.4° |
| CA1 | C1 | O11 | 119.9° | 120.1° |
| CA1 | C1 | O12 | 120.3° | 120.0° |
| CG1 | CB1 | HB11 | 112.1° | 109.5° |
| CG1 | CB1 | HB12 | 112.1° | 109.5° |
| CB1 | CG1 | CD1 | 109.9° | 109.5° |
| CB1 | CG1 | HG11 | 112.0° | 109.5° |
| CB1 | CG1 | HG12 | 112.0° | 109.5° |
| HB11 | CB1 | HB12 | 98.4° | 109.4° |
| CD1 | CG1 | HG11 | 112.1° | 109.5° |
| CD1 | CG1 | HG12 | 112.1° | 109.5° |
| CG1 | CD1 | OE1 | 119.5° | 120.0° |
| CG1 | CD1 | N2 | 120.1° | 120.0° |
| HG11 | CG1 | HG12 | 98.3° | 109.5° |
| OE1 | CD1 | N2 | 120.4° | 120.0° |
| CD1 | N2 | CA2 | 121.2° | 120.0° |
| CD1 | N2 | HN2 | 115.4° | 120.0° |
| CA2 | N2 | HN2 | 123.5° | 120.0° |
| N2 | CA2 | CB2 | 109.4° | 109.5° |
| N2 | CA2 | C2 | 108.2° | 109.5° |
| N2 | CA2 | HA2 | 110.8° | 109.4° |
| CB2 | CA2 | C2 | 110.8° | 109.5° |
| CB2 | CA2 | HA2 | 108.2° | 109.5° |
| CA2 | CB2 | SG2 | 110.1° | 109.5° |
| CA2 | CB2 | HB21 | 112.0° | 109.4° |
| CA2 | CB2 | HB22 | 112.0° | 109.5° |
| C2 | CA2 | HA2 | 109.5° | 109.4° |
| CA2 | C2 | O2 | 121.1° | 120.0° |
| CA2 | C2 | N3 | 118.3° | 120.0° |
| SG2 | CB2 | HB21 | 112.0° | 109.4° |
| SG2 | CB2 | HB22 | 112.0° | 109.5° |
| CB2 | SG2 | CD2 | 100.3° | 100.0° |
| HB21 | CB2 | HB22 | 98.5° | 109.5° |
| SG2 | CD2 | OE2 | 108.9° | 109.5° |
| SG2 | CD2 | HD21 | 112.4° | 109.5° |
| SG2 | CD2 | HD22 | 112.4° | 109.5° |
| OE2 | CD2 | HD21 | 112.4° | 109.5° |
| OE2 | CD2 | HD22 | 112.4° | 109.4° |
| CD2 | OE2 | HE2 | 109.0° | 106.9° |
| HD21 | CD2 | HD22 | 98.0° | 109.5° |
| O2 | C2 | N3 | 120.7° | 119.9° |
| C2 | N3 | CA3 | 121.9° | 120.1° |
| C2 | N3 | HN3 | 114.9° | 119.9° |
| CA3 | N3 | HN3 | 123.2° | 120.0° |
| N3 | CA3 | C3 | 110.0° | 109.5° |
| N3 | CA3 | HA31 | 112.0° | 109.4° |
| N3 | CA3 | HA32 | 112.0° | 109.6° |
| C3 | CA3 | HA31 | 112.0° | 109.4° |
| C3 | CA3 | HA32 | 112.0° | 109.5° |
| CA3 | C3 | O31 | 120.4° | 120.0° |
| CA3 | C3 | O32 | 119.4° | 120.0° |
| HA31 | CA3 | HA32 | 98.4° | 109.4° |
| O31 | C3 | O32 | 120.2° | 120.0° |
| C3 | O31 | H31 | 120.4° | 120.0° |
| O11 | C1 | O12 | 119.8° | 120.0° |
| C1 | O11 | H11 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N1 | HN11 | HN12 | 125.2° | 113.7° |
| N1 | CA1 | CB1 | C1 | 119.8° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 120.5° | 120.0° |
| N1 | CA1 | C1 | HA1 | 120.5° | 120.0° |
| N1 | CA1 | CB1 | CG1 | 77.0° | 60.0° |
| N1 | CA1 | CB1 | HB11 | 48.2° | 60.0° |
| N1 | CA1 | CB1 | HB12 | 157.7° | 180.0° |
| N1 | CA1 | C1 | O11 | 23.8° | 150.0° |
| N1 | CA1 | C1 | O12 | 156.3° | 30.0° |
| HN11 | N1 | CA1 | CB1 | 180.0° | 60.0° |
| HN11 | N1 | CA1 | C1 | 60.2° | 60.1° |
| HN11 | N1 | CA1 | HA1 | 59.5° | 180.0° |
| HN12 | N1 | CA1 | CB1 | 54.8° | 53.7° |
| HN12 | N1 | CA1 | C1 | 174.6° | 173.8° |
| HN12 | N1 | CA1 | HA1 | 65.7° | 66.2° |
| CB1 | CA1 | C1 | HA1 | 120.6° | 119.9° |
| CA1 | CB1 | CG1 | HB11 | 125.2° | 120.0° |
| CA1 | CB1 | CG1 | HB12 | 125.2° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 118.0° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 178.6° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 53.3° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 56.1° | 60.0° |
| CB1 | CA1 | C1 | O11 | 95.2° | 90.0° |
| CB1 | CA1 | C1 | O12 | 84.8° | 90.1° |
| C1 | CA1 | CB1 | CG1 | 163.2° | 180.0° |
| C1 | CA1 | CB1 | HB11 | 71.6° | 60.0° |
| C1 | CA1 | CB1 | HB12 | 38.0° | 59.9° |
| CA1 | C1 | O11 | O12 | 180.0° | 179.9° |
| CA1 | C1 | O11 | H11 | 179.9° | 180.0° |
| HA1 | CA1 | CB1 | CG1 | 43.5° | 60.0° |
| HA1 | CA1 | CB1 | HB11 | 168.7° | 180.0° |
| HA1 | CA1 | CB1 | HB12 | 81.7° | 60.0° |
| HA1 | CA1 | C1 | O11 | 144.3° | 29.9° |
| HA1 | CA1 | C1 | O12 | 35.8° | 150.0° |
| CG1 | CB1 | HB11 | HB12 | 118.1° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 125.3° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 125.3° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 117.9° | 120.0° |
| CB1 | CG1 | CD1 | OE1 | 53.5° | 0.0° |
| CB1 | CG1 | CD1 | N2 | 125.8° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 56.2° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 178.5° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 69.2° | 60.0° |
| HB12 | CB1 | CG1 | CD1 | 53.4° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 71.9° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 178.7° | 180.0° |
| CD1 | CG1 | HG11 | HG12 | 118.0° | 120.0° |
| CG1 | CD1 | OE1 | N2 | 179.3° | 180.0° |
| CG1 | CD1 | N2 | CA2 | 175.8° | 180.0° |
| CG1 | CD1 | N2 | HN2 | 4.2° | 0.0° |
| HG11 | CG1 | CD1 | OE1 | 71.8° | 120.0° |
| HG11 | CG1 | CD1 | N2 | 108.9° | 60.0° |
| HG12 | CG1 | CD1 | OE1 | 178.8° | 120.0° |
| HG12 | CG1 | CD1 | N2 | 0.5° | 60.0° |
| OE1 | CD1 | N2 | CA2 | 4.9° | 0.0° |
| OE1 | CD1 | N2 | HN2 | 175.1° | 180.0° |
| CD1 | N2 | CA2 | HN2 | 180.0° | 180.0° |
| CD1 | N2 | CA2 | CB2 | 139.8° | 90.0° |
| CD1 | N2 | CA2 | C2 | 99.5° | 149.9° |
| CD1 | N2 | CA2 | HA2 | 20.6° | 30.0° |
| N2 | CA2 | CB2 | C2 | 119.2° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 120.8° | 120.0° |
| N2 | CA2 | C2 | HA2 | 120.8° | 119.9° |
| N2 | CA2 | CB2 | SG2 | 65.2° | 59.9° |
| N2 | CA2 | CB2 | HB21 | 60.0° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 169.6° | 180.0° |
| N2 | CA2 | C2 | O2 | 108.2° | 0.1° |
| N2 | CA2 | C2 | N3 | 71.0° | 179.9° |
| HN2 | N2 | CA2 | CB2 | 40.2° | 90.0° |
| HN2 | N2 | CA2 | C2 | 80.5° | 30.0° |
| HN2 | N2 | CA2 | HA2 | 159.4° | 150.0° |
| CB2 | CA2 | C2 | HA2 | 119.3° | 120.0° |
| CA2 | CB2 | SG2 | HB21 | 125.2° | 119.9° |
| CA2 | CB2 | SG2 | HB22 | 125.3° | 120.1° |
| CA2 | CB2 | HB21 | HB22 | 117.9° | 120.0° |
| CA2 | CB2 | SG2 | CD2 | 172.0° | 180.0° |
| CB2 | CA2 | C2 | O2 | 11.7° | 120.0° |
| CB2 | CA2 | C2 | N3 | 169.0° | 59.9° |
| C2 | CA2 | CB2 | SG2 | 175.6° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 59.1° | 60.1° |
| C2 | CA2 | CB2 | HB22 | 50.4° | 59.9° |
| CA2 | C2 | O2 | N3 | 179.2° | 179.9° |
| CA2 | C2 | N3 | CA3 | 168.1° | 180.0° |
| CA2 | C2 | N3 | HN3 | 11.8° | 0.1° |
| HA2 | CA2 | CB2 | SG2 | 55.6° | 60.1° |
| HA2 | CA2 | CB2 | HB21 | 179.2° | 179.9° |
| HA2 | CA2 | CB2 | HB22 | 69.6° | 60.1° |
| HA2 | CA2 | C2 | O2 | 131.0° | 120.0° |
| HA2 | CA2 | C2 | N3 | 49.8° | 60.1° |
| SG2 | CB2 | HB21 | HB22 | 117.9° | 120.1° |
| CB2 | SG2 | CD2 | OE2 | 128.7° | 179.9° |
| CB2 | SG2 | CD2 | HD21 | 3.4° | 60.0° |
| CB2 | SG2 | CD2 | HD22 | 106.0° | 60.0° |
| HB21 | CB2 | SG2 | CD2 | 62.7° | 60.1° |
| HB22 | CB2 | SG2 | CD2 | 46.8° | 59.9° |
| SG2 | CD2 | OE2 | HD21 | 125.3° | 120.0° |
| SG2 | CD2 | OE2 | HD22 | 125.3° | 120.0° |
| SG2 | CD2 | HD21 | HD22 | 118.3° | 120.0° |
| SG2 | CD2 | OE2 | HE2 | 180.0° | 179.9° |
| OE2 | CD2 | HD21 | HD22 | 118.3° | 119.9° |
| HD21 | CD2 | OE2 | HE2 | 54.8° | 59.9° |
| HD22 | CD2 | OE2 | HE2 | 54.7° | 60.1° |
| O2 | C2 | N3 | CA3 | 11.1° | 0.1° |
| O2 | C2 | N3 | HN3 | 169.0° | 180.0° |
| C2 | N3 | CA3 | HN3 | 179.9° | 179.9° |
| C2 | N3 | CA3 | C3 | 95.5° | 180.0° |
| C2 | N3 | CA3 | HA31 | 139.2° | 60.1° |
| C2 | N3 | CA3 | HA32 | 29.7° | 59.9° |
| N3 | CA3 | C3 | HA31 | 125.3° | 119.9° |
| N3 | CA3 | C3 | HA32 | 125.2° | 120.1° |
| N3 | CA3 | HA31 | HA32 | 117.9° | 120.0° |
| N3 | CA3 | C3 | O31 | 0.5° | 180.0° |
| N3 | CA3 | C3 | O32 | 179.6° | 0.1° |
| HN3 | N3 | CA3 | C3 | 84.4° | 0.1° |
| HN3 | N3 | CA3 | HA31 | 40.8° | 120.0° |
| HN3 | N3 | CA3 | HA32 | 150.3° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 117.9° | 120.0° |
| CA3 | C3 | O31 | O32 | 179.9° | 179.9° |
| CA3 | C3 | O31 | H31 | 180.0° | 179.9° |
| HA31 | CA3 | C3 | O31 | 125.8° | 60.1° |
| HA31 | CA3 | C3 | O32 | 54.4° | 120.0° |
| HA32 | CA3 | C3 | O31 | 124.7° | 59.9° |
| HA32 | CA3 | C3 | O32 | 55.2° | 120.0° |
| O32 | C3 | O31 | H31 | 0.1° | 0.0° |
| O12 | C1 | O11 | H11 | 0.1° | 0.0° |
