GSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C1 | doub | 1.21Å | 1.31Å | |
| O11 | C1 | sing | 1.34Å | 1.24Å | |
| C1 | CA1 | sing | 1.51Å | 1.55Å | |
| N1 | CA1 | sing | 1.47Å | 1.46Å | |
| CA1 | CB1 | sing | 1.53Å | 1.55Å | |
| CB1 | CG1 | sing | 1.53Å | 1.55Å | |
| CG1 | CD1 | sing | 1.51Å | 1.54Å | |
| SG2 | CB2 | sing | 1.81Å | 1.82Å | |
| N2 | CD1 | sing | 1.35Å | 1.34Å | |
| N2 | CA2 | sing | 1.47Å | 1.47Å | |
| CD1 | OE1 | doub | 1.21Å | 1.24Å | |
| CB2 | CA2 | sing | 1.53Å | 1.54Å | |
| CA2 | C2 | sing | 1.51Å | 1.54Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| C2 | O2 | doub | 1.21Å | 1.24Å | |
| N3 | CA3 | sing | 1.46Å | 1.47Å | |
| CA3 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | O32 | doub | 1.21Å | 1.26Å | |
| C3 | O31 | sing | 1.34Å | 1.24Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| CA1 | H4 | sing | 1.09Å | 1.10Å | |
| O11 | H5 | sing | 0.97Å | 0.95Å | |
| CB1 | H6 | sing | 1.09Å | 1.10Å | |
| CB1 | H7 | sing | 1.09Å | 1.10Å | |
| CG1 | H8 | sing | 1.09Å | 1.10Å | |
| CG1 | H9 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| CA2 | H11 | sing | 1.09Å | 1.10Å | |
| CB2 | H12 | sing | 1.09Å | 1.10Å | |
| CB2 | H13 | sing | 1.09Å | 1.10Å | |
| SG2 | H14 | sing | 1.34Å | 1.30Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| CA3 | H16 | sing | 1.09Å | 1.10Å | |
| CA3 | H17 | sing | 1.09Å | 1.10Å | |
| O31 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C1 | O11 | 123.9° | 120.0° |
| O12 | C1 | CA1 | 117.1° | 120.0° |
| O11 | C1 | CA1 | 119.0° | 120.0° |
| C1 | O11 | H5 | 109.5° | 116.9° |
| C1 | CA1 | N1 | 113.3° | 109.5° |
| C1 | CA1 | CB1 | 111.3° | 109.5° |
| C1 | CA1 | H4 | 106.9° | 109.5° |
| N1 | CA1 | CB1 | 109.9° | 109.5° |
| CA1 | N1 | H1 | 109.5° | 111.0° |
| CA1 | N1 | H2 | 109.4° | 110.9° |
| N1 | CA1 | H4 | 108.1° | 109.5° |
| CA1 | CB1 | CG1 | 111.2° | 109.5° |
| CB1 | CA1 | H4 | 107.0° | 109.4° |
| CA1 | CB1 | H6 | 109.0° | 109.4° |
| CA1 | CB1 | H7 | 109.0° | 109.5° |
| CB1 | CG1 | CD1 | 108.6° | 109.5° |
| CG1 | CB1 | H6 | 109.0° | 109.4° |
| CG1 | CB1 | H7 | 109.0° | 109.5° |
| CB1 | CG1 | H8 | 109.7° | 109.5° |
| CB1 | CG1 | H9 | 109.7° | 109.5° |
| CG1 | CD1 | N2 | 114.8° | 120.0° |
| CG1 | CD1 | OE1 | 121.1° | 120.0° |
| CD1 | CG1 | H8 | 109.7° | 109.4° |
| CD1 | CG1 | H9 | 109.7° | 109.5° |
| SG2 | CB2 | CA2 | 112.2° | 109.5° |
| SG2 | CB2 | H12 | 108.8° | 109.5° |
| SG2 | CB2 | H13 | 108.8° | 109.5° |
| CB2 | SG2 | H14 | 102.0° | 103.0° |
| CD1 | N2 | CA2 | 119.4° | 120.0° |
| N2 | CD1 | OE1 | 124.1° | 120.0° |
| CD1 | N2 | H10 | 120.3° | 120.0° |
| N2 | CA2 | CB2 | 109.1° | 109.5° |
| N2 | CA2 | C2 | 109.7° | 109.5° |
| CA2 | N2 | H10 | 120.3° | 120.0° |
| N2 | CA2 | H11 | 110.6° | 109.4° |
| CB2 | CA2 | C2 | 108.4° | 109.5° |
| CB2 | CA2 | H11 | 109.6° | 109.5° |
| CA2 | CB2 | H12 | 108.8° | 109.4° |
| CA2 | CB2 | H13 | 108.8° | 109.4° |
| CA2 | C2 | N3 | 116.1° | 120.0° |
| CA2 | C2 | O2 | 122.5° | 120.0° |
| C2 | CA2 | H11 | 109.5° | 109.4° |
| N3 | C2 | O2 | 121.4° | 120.0° |
| C2 | N3 | CA3 | 122.7° | 120.0° |
| C2 | N3 | H15 | 118.7° | 120.0° |
| N3 | CA3 | C3 | 109.7° | 109.5° |
| CA3 | N3 | H15 | 118.6° | 120.0° |
| N3 | CA3 | H16 | 109.4° | 109.5° |
| N3 | CA3 | H17 | 109.4° | 109.5° |
| CA3 | C3 | O32 | 118.9° | 120.0° |
| CA3 | C3 | O31 | 116.2° | 120.0° |
| C3 | CA3 | H16 | 109.4° | 109.5° |
| C3 | CA3 | H17 | 109.4° | 109.5° |
| O32 | C3 | O31 | 124.9° | 120.0° |
| C3 | O31 | H18 | 109.5° | 117.0° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H6 | CB1 | H7 | 109.5° | 109.5° |
| H8 | CG1 | H9 | 109.5° | 109.5° |
| H12 | CB2 | H13 | 109.5° | 109.5° |
| H16 | CA3 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C1 | O11 | CA1 | 179.9° | 179.9° |
| O12 | C1 | CA1 | N1 | 22.7° | 19.9° |
| O12 | C1 | CA1 | CB1 | 101.8° | 100.1° |
| O12 | C1 | CA1 | H4 | 141.7° | 140.0° |
| O12 | C1 | O11 | H5 | 0.0° | 0.0° |
| O11 | C1 | CA1 | N1 | 157.5° | 160.0° |
| O11 | C1 | CA1 | CB1 | 78.1° | 80.0° |
| O11 | C1 | CA1 | H4 | 38.5° | 39.9° |
| C1 | CA1 | N1 | CB1 | 125.2° | 120.0° |
| C1 | CA1 | N1 | H4 | 118.3° | 120.1° |
| C1 | CA1 | CB1 | H4 | 116.5° | 120.0° |
| C1 | CA1 | CB1 | CG1 | 77.3° | 175.0° |
| C1 | CA1 | N1 | H1 | 180.0° | 60.0° |
| C1 | CA1 | N1 | H2 | 60.0° | 176.1° |
| CA1 | C1 | O11 | H5 | 179.9° | 179.9° |
| C1 | CA1 | CB1 | H6 | 162.4° | 65.0° |
| C1 | CA1 | CB1 | H7 | 42.9° | 55.0° |
| N1 | CA1 | CB1 | H4 | 117.1° | 120.0° |
| N1 | CA1 | CB1 | CG1 | 156.3° | 65.0° |
| CA1 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | H6 | 36.0° | 55.0° |
| N1 | CA1 | CB1 | H7 | 83.5° | 175.0° |
| CA1 | CB1 | CG1 | H6 | 120.3° | 120.0° |
| CA1 | CB1 | CG1 | H7 | 120.3° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 175.9° | 180.0° |
| CB1 | CA1 | N1 | H1 | 54.8° | 60.0° |
| CB1 | CA1 | N1 | H2 | 174.8° | 63.9° |
| CA1 | CB1 | H6 | H7 | 119.2° | 120.0° |
| CA1 | CB1 | CG1 | H8 | 64.2° | 60.1° |
| CA1 | CB1 | CG1 | H9 | 56.1° | 60.0° |
| CB1 | CG1 | CD1 | H8 | 119.9° | 120.0° |
| CB1 | CG1 | CD1 | H9 | 119.8° | 120.1° |
| CB1 | CG1 | CD1 | N2 | 134.1° | 180.0° |
| CB1 | CG1 | CD1 | OE1 | 47.1° | 0.1° |
| CG1 | CB1 | CA1 | H4 | 39.2° | 55.0° |
| CG1 | CB1 | H6 | H7 | 119.2° | 120.0° |
| CB1 | CG1 | H8 | H9 | 120.4° | 120.1° |
| CG1 | CD1 | N2 | OE1 | 178.8° | 179.9° |
| CG1 | CD1 | N2 | CA2 | 180.0° | 180.0° |
| CD1 | CG1 | CB1 | H6 | 55.7° | 60.1° |
| CD1 | CG1 | CB1 | H7 | 63.8° | 60.0° |
| CD1 | CG1 | H8 | H9 | 120.4° | 120.0° |
| CG1 | CD1 | N2 | H10 | 0.0° | 0.1° |
| SG2 | CB2 | CA2 | N2 | 72.3° | 60.0° |
| SG2 | CB2 | CA2 | H12 | 120.4° | 120.0° |
| SG2 | CB2 | CA2 | H13 | 120.4° | 120.0° |
| SG2 | CB2 | CA2 | C2 | 168.3° | 180.0° |
| SG2 | CB2 | CA2 | H11 | 48.9° | 60.0° |
| SG2 | CB2 | H12 | H13 | 118.7° | 120.0° |
| CD1 | N2 | CA2 | H10 | 180.0° | 179.9° |
| CD1 | N2 | CA2 | CB2 | 124.7° | 84.9° |
| CD1 | N2 | CA2 | C2 | 116.8° | 155.0° |
| N2 | CD1 | CG1 | H8 | 14.2° | 60.0° |
| N2 | CD1 | CG1 | H9 | 106.1° | 59.9° |
| CD1 | N2 | CA2 | H11 | 4.1° | 35.1° |
| CA2 | N2 | CD1 | OE1 | 1.2° | 0.1° |
| N2 | CA2 | CB2 | C2 | 119.3° | 120.1° |
| N2 | CA2 | CB2 | H11 | 121.2° | 120.0° |
| N2 | CA2 | C2 | H11 | 121.6° | 119.9° |
| N2 | CA2 | C2 | N3 | 30.4° | 180.0° |
| N2 | CA2 | C2 | O2 | 150.7° | 0.1° |
| N2 | CA2 | CB2 | H12 | 167.3° | 60.0° |
| N2 | CA2 | CB2 | H13 | 48.1° | 179.9° |
| OE1 | CD1 | CG1 | H8 | 166.9° | 120.1° |
| OE1 | CD1 | CG1 | H9 | 72.8° | 120.0° |
| OE1 | CD1 | N2 | H10 | 178.8° | 180.0° |
| CB2 | CA2 | C2 | H11 | 119.5° | 120.0° |
| CB2 | CA2 | C2 | N3 | 149.3° | 60.0° |
| CB2 | CA2 | C2 | O2 | 31.7° | 120.0° |
| CB2 | CA2 | N2 | H10 | 55.4° | 95.0° |
| CA2 | CB2 | H12 | H13 | 118.8° | 120.0° |
| CA2 | CB2 | SG2 | H14 | 180.0° | 180.0° |
| CA2 | C2 | N3 | O2 | 179.0° | 179.9° |
| CA2 | C2 | N3 | CA3 | 176.8° | 179.9° |
| C2 | CA2 | N2 | H10 | 63.1° | 25.1° |
| C2 | CA2 | CB2 | H12 | 47.9° | 60.0° |
| C2 | CA2 | CB2 | H13 | 71.3° | 60.0° |
| CA2 | C2 | N3 | H15 | 3.2° | 0.1° |
| C2 | N3 | CA3 | H15 | 180.0° | 180.0° |
| C2 | N3 | CA3 | C3 | 116.0° | 180.0° |
| N3 | C2 | CA2 | H11 | 91.2° | 60.1° |
| C2 | N3 | CA3 | H16 | 4.0° | 60.0° |
| C2 | N3 | CA3 | H17 | 123.9° | 60.0° |
| O2 | C2 | N3 | CA3 | 4.3° | 0.0° |
| O2 | C2 | CA2 | H11 | 87.8° | 120.0° |
| O2 | C2 | N3 | H15 | 175.8° | 180.0° |
| N3 | CA3 | C3 | H16 | 120.0° | 120.1° |
| N3 | CA3 | C3 | H17 | 120.1° | 120.0° |
| N3 | CA3 | C3 | O32 | 3.1° | 0.0° |
| N3 | CA3 | C3 | O31 | 177.1° | 180.0° |
| N3 | CA3 | H16 | H17 | 119.9° | 120.0° |
| CA3 | C3 | O32 | O31 | 179.7° | 180.0° |
| C3 | CA3 | N3 | H15 | 64.0° | 0.0° |
| C3 | CA3 | H16 | H17 | 119.9° | 120.0° |
| CA3 | C3 | O31 | H18 | 179.7° | 180.0° |
| O32 | C3 | CA3 | H16 | 116.9° | 120.0° |
| O32 | C3 | CA3 | H17 | 123.2° | 120.0° |
| O32 | C3 | O31 | H18 | 0.0° | 0.1° |
| O31 | C3 | CA3 | H16 | 62.9° | 59.9° |
| O31 | C3 | CA3 | H17 | 57.0° | 60.0° |
| H1 | N1 | CA1 | H4 | 61.7° | 180.0° |
| H2 | N1 | CA1 | H4 | 58.3° | 56.0° |
| H4 | CA1 | CB1 | H6 | 81.1° | 175.0° |
| H4 | CA1 | CB1 | H7 | 159.4° | 65.0° |
| H6 | CB1 | CG1 | H8 | 175.6° | 180.0° |
| H6 | CB1 | CG1 | H9 | 64.2° | 60.0° |
| H7 | CB1 | CG1 | H8 | 56.1° | 60.0° |
| H7 | CB1 | CG1 | H9 | 176.3° | 180.0° |
| H10 | N2 | CA2 | H11 | 175.9° | 145.0° |
| H11 | CA2 | CB2 | H12 | 71.5° | 180.0° |
| H11 | CA2 | CB2 | H13 | 169.3° | 60.0° |
| H12 | CB2 | SG2 | H14 | 59.6° | 60.0° |
| H13 | CB2 | SG2 | H14 | 59.6° | 60.0° |
| H15 | N3 | CA3 | H16 | 176.0° | 120.0° |
| H15 | N3 | CA3 | H17 | 56.0° | 120.0° |






