GSH
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 | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| CA1 | C1 | sing | 1.51Å | 1.55Å | |
| CA1 | CB1 | sing | 1.53Å | 1.54Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| C1 | O11 | doub | 1.21Å | 1.24Å | |
| C1 | O12 | sing | 1.34Å | 1.32Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| CB1 | CG1 | sing | 1.53Å | 1.56Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CB1 | HB13 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.51Å | 1.55Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CD1 | OE1 | doub | 1.21Å | 1.24Å | |
| CD1 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | CA2 | sing | 1.47Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| CA2 | C2 | sing | 1.51Å | 1.54Å | |
| CA2 | CB2 | sing | 1.53Å | 1.55Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| CB2 | SG2 | sing | 1.81Å | 1.82Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| CB2 | HB23 | sing | 1.09Å | 1.10Å | |
| SG2 | HSG | sing | 1.34Å | 1.30Å | |
| N3 | CA3 | sing | 1.46Å | 1.47Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| CA3 | C3 | sing | 1.51Å | 1.52Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | O31 | doub | 1.21Å | 1.24Å | |
| C3 | O32 | sing | 1.34Å | 1.26Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA1 | N1 | HN11 | 109.5° | 111.0° |
| CA1 | N1 | HN12 | 109.5° | 111.0° |
| N1 | CA1 | C1 | 112.3° | 109.5° |
| N1 | CA1 | CB1 | 109.7° | 109.5° |
| N1 | CA1 | HA1 | 108.5° | 109.5° |
| HN11 | N1 | HN12 | 109.4° | 111.0° |
| C1 | CA1 | CB1 | 111.1° | 109.5° |
| C1 | CA1 | HA1 | 107.5° | 109.5° |
| CA1 | C1 | O11 | 118.7° | 120.0° |
| CA1 | C1 | O12 | 116.8° | 120.0° |
| CB1 | CA1 | HA1 | 107.5° | 109.5° |
| CA1 | CB1 | CG1 | 112.1° | 109.5° |
| CA1 | CB1 | HB12 | 108.9° | 109.5° |
| CA1 | CB1 | HB13 | 108.8° | 109.4° |
| O11 | C1 | O12 | 124.5° | 120.0° |
| C1 | O12 | H12 | 109.5° | 117.0° |
| CG1 | CB1 | HB12 | 108.8° | 109.5° |
| CG1 | CB1 | HB13 | 108.8° | 109.4° |
| CB1 | CG1 | CD1 | 108.4° | 109.5° |
| CB1 | CG1 | HG12 | 109.8° | 109.5° |
| CB1 | CG1 | HG13 | 109.7° | 109.4° |
| HB12 | CB1 | HB13 | 109.5° | 109.5° |
| CD1 | CG1 | HG12 | 109.7° | 109.5° |
| CD1 | CG1 | HG13 | 109.8° | 109.5° |
| CG1 | CD1 | OE1 | 121.5° | 120.0° |
| CG1 | CD1 | N2 | 115.0° | 120.0° |
| HG12 | CG1 | HG13 | 109.5° | 109.5° |
| OE1 | CD1 | N2 | 123.5° | 120.0° |
| CD1 | N2 | CA2 | 119.0° | 120.0° |
| CD1 | N2 | HN2 | 120.5° | 120.0° |
| CA2 | N2 | HN2 | 120.5° | 120.0° |
| N2 | CA2 | C2 | 108.7° | 109.4° |
| N2 | CA2 | CB2 | 109.9° | 109.5° |
| N2 | CA2 | HA2 | 110.8° | 109.5° |
| C2 | CA2 | CB2 | 107.9° | 109.5° |
| C2 | CA2 | HA2 | 109.8° | 109.4° |
| CA2 | C2 | O2 | 122.6° | 120.0° |
| CA2 | C2 | N3 | 115.6° | 120.0° |
| CB2 | CA2 | HA2 | 109.6° | 109.5° |
| CA2 | CB2 | SG2 | 113.2° | 109.5° |
| CA2 | CB2 | HB22 | 108.5° | 109.5° |
| CA2 | CB2 | HB23 | 108.5° | 109.4° |
| O2 | C2 | N3 | 121.8° | 120.0° |
| C2 | N3 | CA3 | 123.0° | 120.0° |
| C2 | N3 | HN3 | 118.5° | 120.0° |
| SG2 | CB2 | HB22 | 108.5° | 109.5° |
| SG2 | CB2 | HB23 | 108.5° | 109.5° |
| CB2 | SG2 | HSG | 102.0° | 103.0° |
| HB22 | CB2 | HB23 | 109.5° | 109.5° |
| CA3 | N3 | HN3 | 118.5° | 120.0° |
| N3 | CA3 | C3 | 109.1° | 109.5° |
| N3 | CA3 | HA31 | 109.6° | 109.5° |
| N3 | CA3 | HA32 | 109.6° | 109.5° |
| C3 | CA3 | HA31 | 109.6° | 109.5° |
| C3 | CA3 | HA32 | 109.6° | 109.4° |
| CA3 | C3 | O31 | 116.3° | 120.0° |
| CA3 | C3 | O32 | 118.6° | 120.0° |
| HA31 | CA3 | HA32 | 109.5° | 109.4° |
| O31 | C3 | O32 | 125.1° | 120.0° |
| C3 | O32 | H32 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA1 | N1 | HN11 | HN12 | 120.0° | 124.0° |
| N1 | CA1 | C1 | CB1 | 123.3° | 120.0° |
| N1 | CA1 | C1 | HA1 | 119.3° | 120.0° |
| N1 | CA1 | CB1 | HA1 | 117.8° | 120.0° |
| N1 | CA1 | C1 | O11 | 154.0° | 20.0° |
| N1 | CA1 | C1 | O12 | 25.9° | 160.0° |
| N1 | CA1 | CB1 | CG1 | 159.3° | 65.1° |
| N1 | CA1 | CB1 | HB12 | 38.9° | 55.0° |
| N1 | CA1 | CB1 | HB13 | 80.3° | 175.0° |
| HN11 | N1 | CA1 | C1 | 180.0° | 64.0° |
| HN11 | N1 | CA1 | CB1 | 55.9° | 176.1° |
| HN11 | N1 | CA1 | HA1 | 61.3° | 56.0° |
| HN12 | N1 | CA1 | C1 | 60.0° | 60.0° |
| HN12 | N1 | CA1 | CB1 | 175.9° | 60.0° |
| HN12 | N1 | CA1 | HA1 | 58.7° | 180.0° |
| C1 | CA1 | CB1 | HA1 | 117.4° | 120.0° |
| CA1 | C1 | O11 | O12 | 179.9° | 180.0° |
| CA1 | C1 | O12 | H12 | 179.9° | 180.0° |
| C1 | CA1 | CB1 | CG1 | 75.9° | 175.0° |
| C1 | CA1 | CB1 | HB12 | 163.7° | 65.0° |
| C1 | CA1 | CB1 | HB13 | 44.5° | 55.0° |
| CB1 | CA1 | C1 | O11 | 82.6° | 100.0° |
| CB1 | CA1 | C1 | O12 | 97.5° | 80.1° |
| CA1 | CB1 | CG1 | HB12 | 120.4° | 120.1° |
| CA1 | CB1 | CG1 | HB13 | 120.4° | 119.9° |
| CA1 | CB1 | HB12 | HB13 | 118.8° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 175.2° | 180.0° |
| CA1 | CB1 | CG1 | HG12 | 55.4° | 59.9° |
| CA1 | CB1 | CG1 | HG13 | 65.0° | 60.1° |
| HA1 | CA1 | C1 | O11 | 34.8° | 140.0° |
| HA1 | CA1 | C1 | O12 | 145.2° | 40.0° |
| HA1 | CA1 | CB1 | CG1 | 41.5° | 55.0° |
| HA1 | CA1 | CB1 | HB12 | 78.9° | 175.0° |
| HA1 | CA1 | CB1 | HB13 | 161.9° | 65.0° |
| O11 | C1 | O12 | H12 | 0.0° | 0.0° |
| CG1 | CB1 | HB12 | HB13 | 118.8° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 119.8° | 120.0° |
| CB1 | CG1 | CD1 | HG13 | 119.8° | 119.9° |
| CB1 | CG1 | HG12 | HG13 | 120.5° | 120.0° |
| CB1 | CG1 | CD1 | OE1 | 28.2° | 0.0° |
| CB1 | CG1 | CD1 | N2 | 152.1° | 179.9° |
| HB12 | CB1 | CG1 | CD1 | 64.4° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 175.8° | 180.0° |
| HB12 | CB1 | CG1 | HG13 | 55.4° | 60.0° |
| HB13 | CB1 | CG1 | CD1 | 54.8° | 60.0° |
| HB13 | CB1 | CG1 | HG12 | 65.0° | 60.0° |
| HB13 | CB1 | CG1 | HG13 | 174.6° | 180.0° |
| CD1 | CG1 | HG12 | HG13 | 120.5° | 120.0° |
| CG1 | CD1 | OE1 | N2 | 179.7° | 180.0° |
| CG1 | CD1 | N2 | CA2 | 168.0° | 180.0° |
| CG1 | CD1 | N2 | HN2 | 12.0° | 0.0° |
| HG12 | CG1 | CD1 | OE1 | 148.0° | 120.0° |
| HG12 | CG1 | CD1 | N2 | 32.3° | 60.0° |
| HG13 | CG1 | CD1 | OE1 | 91.6° | 120.0° |
| HG13 | CG1 | CD1 | N2 | 88.1° | 60.0° |
| OE1 | CD1 | N2 | CA2 | 11.7° | 0.0° |
| OE1 | CD1 | N2 | HN2 | 168.3° | 180.0° |
| CD1 | N2 | CA2 | HN2 | 180.0° | 180.0° |
| CD1 | N2 | CA2 | C2 | 130.3° | 155.0° |
| CD1 | N2 | CA2 | CB2 | 111.8° | 85.0° |
| CD1 | N2 | CA2 | HA2 | 9.5° | 35.1° |
| N2 | CA2 | C2 | CB2 | 119.1° | 120.0° |
| N2 | CA2 | C2 | HA2 | 121.4° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 122.0° | 120.1° |
| N2 | CA2 | C2 | O2 | 145.0° | 0.0° |
| N2 | CA2 | C2 | N3 | 35.6° | 180.0° |
| N2 | CA2 | CB2 | SG2 | 63.7° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 56.9° | 60.0° |
| N2 | CA2 | CB2 | HB23 | 175.7° | 180.0° |
| HN2 | N2 | CA2 | C2 | 49.7° | 25.0° |
| HN2 | N2 | CA2 | CB2 | 68.2° | 95.0° |
| HN2 | N2 | CA2 | HA2 | 170.5° | 145.0° |
| C2 | CA2 | CB2 | HA2 | 119.6° | 120.0° |
| CA2 | C2 | O2 | N3 | 179.3° | 180.0° |
| C2 | CA2 | CB2 | SG2 | 177.9° | 180.0° |
| C2 | CA2 | CB2 | HB22 | 61.5° | 60.0° |
| C2 | CA2 | CB2 | HB23 | 57.3° | 60.0° |
| CA2 | C2 | N3 | CA3 | 178.9° | 180.0° |
| CA2 | C2 | N3 | HN3 | 1.1° | 0.0° |
| CB2 | CA2 | C2 | O2 | 25.9° | 120.0° |
| CB2 | CA2 | C2 | N3 | 154.8° | 60.0° |
| CA2 | CB2 | SG2 | HB22 | 120.6° | 120.0° |
| CA2 | CB2 | SG2 | HB23 | 120.5° | 120.0° |
| CA2 | CB2 | HB22 | HB23 | 118.3° | 120.0° |
| CA2 | CB2 | SG2 | HSG | 180.0° | 180.0° |
| HA2 | CA2 | C2 | O2 | 93.6° | 120.0° |
| HA2 | CA2 | C2 | N3 | 85.8° | 60.0° |
| HA2 | CA2 | CB2 | SG2 | 58.3° | 60.0° |
| HA2 | CA2 | CB2 | HB22 | 178.9° | 179.9° |
| HA2 | CA2 | CB2 | HB23 | 62.2° | 60.0° |
| O2 | C2 | N3 | CA3 | 1.7° | 0.0° |
| O2 | C2 | N3 | HN3 | 178.2° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 180.0° |
| C2 | N3 | CA3 | C3 | 115.6° | 180.0° |
| C2 | N3 | CA3 | HA31 | 4.3° | 60.0° |
| C2 | N3 | CA3 | HA32 | 124.4° | 60.0° |
| SG2 | CB2 | HB22 | HB23 | 118.3° | 120.0° |
| HB22 | CB2 | SG2 | HSG | 59.4° | 60.0° |
| HB23 | CB2 | SG2 | HSG | 59.5° | 60.0° |
| N3 | CA3 | C3 | HA31 | 120.0° | 120.1° |
| N3 | CA3 | C3 | HA32 | 119.9° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 120.2° | 120.1° |
| N3 | CA3 | C3 | O31 | 167.5° | 0.0° |
| N3 | CA3 | C3 | O32 | 12.9° | 180.0° |
| HN3 | N3 | CA3 | C3 | 64.3° | 0.0° |
| HN3 | N3 | CA3 | HA31 | 175.7° | 120.0° |
| HN3 | N3 | CA3 | HA32 | 55.6° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 120.2° | 119.9° |
| CA3 | C3 | O31 | O32 | 179.5° | 180.0° |
| CA3 | C3 | O32 | H32 | 179.5° | 179.9° |
| HA31 | CA3 | C3 | O31 | 72.5° | 120.0° |
| HA31 | CA3 | C3 | O32 | 107.0° | 60.0° |
| HA32 | CA3 | C3 | O31 | 47.6° | 120.0° |
| HA32 | CA3 | C3 | O32 | 132.9° | 60.0° |
| O31 | C3 | O32 | H32 | 0.0° | 0.1° |
