GSF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB1 | CG1 | sing | 1.53Å | 1.58Å | |
| CB1 | CA1 | sing | 1.53Å | 1.56Å | |
| CB1 | HB11 | sing | 1.09Å | 1.12Å | |
| CB1 | HB12 | sing | 1.09Å | 1.11Å | |
| CG1 | CD1 | sing | 1.51Å | 1.55Å | |
| CG1 | HG11 | sing | 1.09Å | 1.12Å | |
| CG1 | HG12 | sing | 1.09Å | 1.11Å | |
| CD1 | OE1 | doub | 1.21Å | 1.25Å | |
| CD1 | N2 | sing | 1.35Å | 1.39Å | |
| C1 | O11 | sing | 1.34Å | 1.25Å | |
| C1 | O12 | doub | 1.21Å | 1.23Å | |
| C1 | CA1 | sing | 1.51Å | 1.54Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| N1 | CA1 | sing | 1.47Å | 1.51Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| CA1 | HA1 | sing | 1.09Å | 1.11Å | |
| N2 | CA2 | sing | 1.47Å | 1.54Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| CA2 | CB2 | sing | 1.53Å | 1.51Å | |
| CA2 | C2 | sing | 1.51Å | 1.52Å | |
| CA2 | HA2 | sing | 1.09Å | 1.12Å | |
| CB2 | SG2 | sing | 1.81Å | 1.74Å | |
| CB2 | HB21 | sing | 1.09Å | 1.12Å | |
| CB2 | HB22 | sing | 1.09Å | 1.12Å | |
| SG2 | O1S | doub | 1.42Å | 1.50Å | |
| SG2 | O2S | sing | 1.52Å | 1.47Å | |
| O2S | H2S | sing | 0.97Å | 0.95Å | |
| C2 | O2 | doub | 1.21Å | 1.25Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | CA3 | sing | 1.46Å | 1.50Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| CA3 | C3 | sing | 1.51Å | 1.51Å | |
| CA3 | HA31 | sing | 1.09Å | 1.12Å | |
| CA3 | HA32 | sing | 1.09Å | 1.11Å | |
| C3 | O31 | sing | 1.34Å | 1.24Å | |
| C3 | O32 | doub | 1.21Å | 1.26Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG1 | CB1 | CA1 | 122.6° | 109.4° |
| CG1 | CB1 | HB11 | 107.5° | 109.5° |
| CG1 | CB1 | HB12 | 107.5° | 109.5° |
| CB1 | CG1 | CD1 | 113.1° | 109.4° |
| CB1 | CG1 | HG11 | 110.9° | 109.5° |
| CB1 | CG1 | HG12 | 110.9° | 109.4° |
| CA1 | CB1 | HB11 | 107.6° | 109.4° |
| CA1 | CB1 | HB12 | 107.6° | 109.4° |
| CB1 | CA1 | C1 | 113.9° | 109.5° |
| CB1 | CA1 | N1 | 106.5° | 109.5° |
| CB1 | CA1 | HA1 | 108.9° | 109.5° |
| HB11 | CB1 | HB12 | 102.2° | 109.6° |
| CD1 | CG1 | HG11 | 110.8° | 109.5° |
| CD1 | CG1 | HG12 | 110.8° | 109.5° |
| CG1 | CD1 | OE1 | 120.1° | 120.0° |
| CG1 | CD1 | N2 | 117.7° | 120.0° |
| HG11 | CG1 | HG12 | 99.4° | 109.5° |
| OE1 | CD1 | N2 | 122.2° | 120.0° |
| CD1 | N2 | CA2 | 122.1° | 120.0° |
| CD1 | N2 | HN2 | 113.7° | 120.0° |
| O11 | C1 | O12 | 123.8° | 120.0° |
| O11 | C1 | CA1 | 118.6° | 120.0° |
| C1 | O11 | H11 | 123.9° | 117.0° |
| O12 | C1 | CA1 | 117.5° | 120.0° |
| C1 | CA1 | N1 | 110.6° | 109.5° |
| C1 | CA1 | HA1 | 104.7° | 109.5° |
| CA1 | N1 | HN11 | 106.5° | 111.0° |
| CA1 | N1 | HN12 | 113.3° | 111.0° |
| N1 | CA1 | HA1 | 112.4° | 109.5° |
| HN11 | N1 | HN12 | 113.4° | 111.0° |
| CA2 | N2 | HN2 | 124.2° | 120.0° |
| N2 | CA2 | CB2 | 108.1° | 109.5° |
| N2 | CA2 | C2 | 101.0° | 109.5° |
| N2 | CA2 | HA2 | 118.5° | 109.5° |
| CB2 | CA2 | C2 | 117.0° | 109.5° |
| CB2 | CA2 | HA2 | 102.9° | 109.5° |
| CA2 | CB2 | SG2 | 117.8° | 109.5° |
| CA2 | CB2 | HB21 | 109.2° | 109.5° |
| CA2 | CB2 | HB22 | 109.2° | 109.5° |
| C2 | CA2 | HA2 | 109.9° | 109.4° |
| CA2 | C2 | O2 | 124.1° | 120.0° |
| CA2 | C2 | N3 | 110.1° | 120.0° |
| SG2 | CB2 | HB21 | 109.2° | 109.5° |
| SG2 | CB2 | HB22 | 109.2° | 109.4° |
| CB2 | SG2 | O1S | 111.5° | 109.5° |
| CB2 | SG2 | O2S | 99.5° | 103.0° |
| HB21 | CB2 | HB22 | 100.9° | 109.5° |
| O1S | SG2 | O2S | 113.4° | 103.0° |
| SG2 | O2S | H2S | 99.6° | 114.0° |
| O2 | C2 | N3 | 125.8° | 120.0° |
| C2 | N3 | CA3 | 121.3° | 120.0° |
| C2 | N3 | HN3 | 114.6° | 120.0° |
| CA3 | N3 | HN3 | 124.0° | 120.0° |
| N3 | CA3 | C3 | 110.3° | 109.5° |
| N3 | CA3 | HA31 | 111.9° | 109.5° |
| N3 | CA3 | HA32 | 111.9° | 109.5° |
| C3 | CA3 | HA31 | 111.9° | 109.5° |
| C3 | CA3 | HA32 | 111.9° | 109.5° |
| CA3 | C3 | O31 | 115.8° | 120.0° |
| CA3 | C3 | O32 | 120.5° | 120.0° |
| HA31 | CA3 | HA32 | 98.5° | 109.4° |
| O31 | C3 | O32 | 123.7° | 120.0° |
| C3 | O31 | H31 | 115.8° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG1 | CB1 | CA1 | HB11 | 125.2° | 120.0° |
| CG1 | CB1 | CA1 | HB12 | 125.3° | 120.0° |
| CG1 | CB1 | HB11 | HB12 | 113.0° | 120.1° |
| CB1 | CG1 | CD1 | HG11 | 125.3° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 125.3° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 116.8° | 120.0° |
| CB1 | CG1 | CD1 | OE1 | 0.2° | 0.0° |
| CB1 | CG1 | CD1 | N2 | 179.9° | 180.0° |
| CG1 | CB1 | CA1 | C1 | 57.6° | 175.0° |
| CG1 | CB1 | CA1 | N1 | 179.8° | 65.0° |
| CG1 | CB1 | CA1 | HA1 | 58.8° | 55.0° |
| CA1 | CB1 | HB11 | HB12 | 113.2° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 179.6° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 55.2° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 54.3° | 60.0° |
| CB1 | CA1 | C1 | O11 | 60.8° | 80.0° |
| CB1 | CA1 | C1 | O12 | 119.3° | 100.0° |
| CB1 | CA1 | C1 | N1 | 119.9° | 120.0° |
| CB1 | CA1 | C1 | HA1 | 118.8° | 120.0° |
| CB1 | CA1 | N1 | HA1 | 119.2° | 120.0° |
| CB1 | CA1 | N1 | HN11 | 180.0° | 176.1° |
| CB1 | CA1 | N1 | HN12 | 54.7° | 60.0° |
| HB11 | CB1 | CG1 | CD1 | 55.2° | 60.1° |
| HB11 | CB1 | CG1 | HG11 | 70.1° | 60.0° |
| HB11 | CB1 | CG1 | HG12 | 179.6° | 180.0° |
| HB11 | CB1 | CA1 | C1 | 67.6° | 55.0° |
| HB11 | CB1 | CA1 | N1 | 54.5° | 175.0° |
| HB11 | CB1 | CA1 | HA1 | 175.9° | 65.0° |
| HB12 | CB1 | CG1 | CD1 | 54.2° | 60.1° |
| HB12 | CB1 | CG1 | HG11 | 179.5° | 179.9° |
| HB12 | CB1 | CG1 | HG12 | 71.0° | 59.9° |
| HB12 | CB1 | CA1 | C1 | 177.1° | 65.0° |
| HB12 | CB1 | CA1 | N1 | 54.9° | 55.0° |
| HB12 | CB1 | CA1 | HA1 | 66.5° | 175.0° |
| CD1 | CG1 | HG11 | HG12 | 116.7° | 120.1° |
| CG1 | CD1 | OE1 | N2 | 179.6° | 179.9° |
| CG1 | CD1 | N2 | CA2 | 179.2° | 180.0° |
| CG1 | CD1 | N2 | HN2 | 0.9° | 0.0° |
| HG11 | CG1 | CD1 | OE1 | 125.5° | 120.0° |
| HG11 | CG1 | CD1 | N2 | 54.8° | 60.1° |
| HG12 | CG1 | CD1 | OE1 | 125.1° | 119.9° |
| HG12 | CG1 | CD1 | N2 | 54.6° | 60.0° |
| OE1 | CD1 | N2 | CA2 | 0.5° | 0.1° |
| OE1 | CD1 | N2 | HN2 | 179.5° | 180.0° |
| CD1 | N2 | CA2 | HN2 | 180.0° | 180.0° |
| CD1 | N2 | CA2 | CB2 | 137.1° | 85.0° |
| CD1 | N2 | CA2 | C2 | 99.5° | 155.0° |
| CD1 | N2 | CA2 | HA2 | 20.6° | 35.1° |
| O11 | C1 | O12 | CA1 | 179.9° | 179.9° |
| O11 | C1 | CA1 | N1 | 179.3° | 160.0° |
| O11 | C1 | CA1 | HA1 | 58.1° | 40.0° |
| O12 | C1 | O11 | H11 | 180.0° | 0.1° |
| O12 | C1 | CA1 | N1 | 0.6° | 19.9° |
| O12 | C1 | CA1 | HA1 | 121.9° | 140.0° |
| CA1 | C1 | O11 | H11 | 0.1° | 180.0° |
| C1 | CA1 | N1 | HA1 | 116.6° | 120.0° |
| C1 | CA1 | N1 | HN11 | 55.8° | 63.9° |
| C1 | CA1 | N1 | HN12 | 178.9° | 59.9° |
| CA1 | N1 | HN11 | HN12 | 125.3° | 123.9° |
| HN11 | N1 | CA1 | HA1 | 60.9° | 56.1° |
| HN12 | N1 | CA1 | HA1 | 64.5° | 180.0° |
| N2 | CA2 | CB2 | C2 | 113.1° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 126.2° | 120.0° |
| N2 | CA2 | C2 | HA2 | 126.0° | 120.0° |
| N2 | CA2 | CB2 | SG2 | 69.6° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 55.7° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 165.2° | 180.0° |
| N2 | CA2 | C2 | O2 | 93.3° | 0.1° |
| N2 | CA2 | C2 | N3 | 87.9° | 180.0° |
| HN2 | N2 | CA2 | CB2 | 42.8° | 95.0° |
| HN2 | N2 | CA2 | C2 | 80.6° | 25.0° |
| HN2 | N2 | CA2 | HA2 | 159.4° | 145.0° |
| CB2 | CA2 | C2 | HA2 | 116.9° | 120.1° |
| CA2 | CB2 | SG2 | HB21 | 125.3° | 120.1° |
| CA2 | CB2 | SG2 | HB22 | 125.3° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 114.9° | 120.0° |
| CA2 | CB2 | SG2 | O1S | 104.2° | 71.0° |
| CA2 | CB2 | SG2 | O2S | 135.8° | 180.0° |
| CB2 | CA2 | C2 | O2 | 23.7° | 119.9° |
| CB2 | CA2 | C2 | N3 | 155.1° | 60.0° |
| C2 | CA2 | CB2 | SG2 | 177.3° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 57.4° | 60.0° |
| C2 | CA2 | CB2 | HB22 | 52.1° | 60.0° |
| CA2 | C2 | O2 | N3 | 178.6° | 179.9° |
| CA2 | C2 | N3 | CA3 | 179.2° | 180.0° |
| CA2 | C2 | N3 | HN3 | 0.7° | 0.0° |
| HA2 | CA2 | CB2 | SG2 | 56.7° | 60.0° |
| HA2 | CA2 | CB2 | HB21 | 178.1° | 180.0° |
| HA2 | CA2 | CB2 | HB22 | 68.6° | 60.0° |
| HA2 | CA2 | C2 | O2 | 140.6° | 120.0° |
| HA2 | CA2 | C2 | N3 | 38.2° | 60.0° |
| SG2 | CB2 | HB21 | HB22 | 114.9° | 119.9° |
| CB2 | SG2 | O1S | O2S | 111.4° | 109.1° |
| CB2 | SG2 | O2S | H2S | 180.0° | 180.0° |
| HB21 | CB2 | SG2 | O1S | 21.1° | 49.1° |
| HB21 | CB2 | SG2 | O2S | 98.9° | 60.0° |
| HB22 | CB2 | SG2 | O1S | 130.5° | 169.0° |
| HB22 | CB2 | SG2 | O2S | 10.5° | 60.0° |
| O1S | SG2 | O2S | H2S | 61.5° | 66.1° |
| O2 | C2 | N3 | CA3 | 0.4° | 0.0° |
| O2 | C2 | N3 | HN3 | 179.5° | 180.0° |
| C2 | N3 | CA3 | HN3 | 180.0° | 180.0° |
| C2 | N3 | CA3 | C3 | 179.7° | 180.0° |
| C2 | N3 | CA3 | HA31 | 54.5° | 60.0° |
| C2 | N3 | CA3 | HA32 | 55.0° | 60.0° |
| N3 | CA3 | C3 | HA31 | 125.3° | 120.0° |
| N3 | CA3 | C3 | HA32 | 125.3° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 117.8° | 120.0° |
| N3 | CA3 | C3 | O31 | 167.7° | 180.0° |
| N3 | CA3 | C3 | O32 | 12.0° | 0.0° |
| HN3 | N3 | CA3 | C3 | 0.2° | 0.0° |
| HN3 | N3 | CA3 | HA31 | 125.5° | 120.0° |
| HN3 | N3 | CA3 | HA32 | 125.1° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 117.8° | 120.0° |
| CA3 | C3 | O31 | O32 | 179.7° | 180.0° |
| CA3 | C3 | O31 | H31 | 179.9° | 180.0° |
| HA31 | CA3 | C3 | O31 | 42.5° | 60.0° |
| HA31 | CA3 | C3 | O32 | 137.2° | 120.0° |
| HA32 | CA3 | C3 | O31 | 67.0° | 60.0° |
| HA32 | CA3 | C3 | O32 | 113.3° | 120.0° |
| O32 | C3 | O31 | H31 | 0.2° | 0.0° |
