Obsolete: GSW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | O11 | sing | 1.34Å | 1.26Å | |
| C1 | CA1 | sing | 1.51Å | 1.51Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| CA1 | N1 | sing | 1.47Å | 1.47Å | |
| CA1 | CB1 | sing | 1.53Å | 1.52Å | |
| CA1 | HA1 | sing | 1.09Å | 1.10Å | |
| N1 | H1N1 | sing | 1.01Å | 1.00Å | |
| N1 | H1N2 | sing | 1.01Å | 1.00Å | |
| CB1 | CG1 | sing | 1.53Å | 1.51Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.51Å | 1.52Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CD1 | OE1 | doub | 1.21Å | 1.33Å | |
| CD1 | N2 | sing | 1.35Å | 1.26Å | |
| N2 | CA2 | sing | 1.46Å | 1.44Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| CA2 | CB2 | sing | 1.53Å | 1.54Å | |
| CA2 | C2 | sing | 1.51Å | 1.50Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CB2 | SG2 | sing | 1.81Å | 1.81Å | |
| CB2 | HB21 | sing | 1.09Å | 1.10Å | |
| CB2 | HB22 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | doub | 1.21Å | 1.33Å | |
| C2 | N3 | sing | 1.35Å | 1.27Å | |
| N3 | CA3 | sing | 1.47Å | 1.47Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| CA3 | C3 | sing | 1.51Å | 1.49Å | |
| CA3 | HA31 | sing | 1.09Å | 1.10Å | |
| CA3 | HA32 | sing | 1.09Å | 1.10Å | |
| C3 | O31 | sing | 1.34Å | 1.26Å | |
| C3 | O32 | doub | 1.21Å | 1.25Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| HS1 | SG2 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C1 | O11 | 123.3° | 120.0° |
| O12 | C1 | CA1 | 108.0° | 120.0° |
| O11 | C1 | CA1 | 128.7° | 120.0° |
| C1 | O11 | H11 | 109.5° | 117.0° |
| C1 | CA1 | N1 | 111.5° | 109.5° |
| C1 | CA1 | CB1 | 117.2° | 109.4° |
| C1 | CA1 | HA1 | 104.1° | 109.4° |
| N1 | CA1 | CB1 | 113.7° | 109.5° |
| N1 | CA1 | HA1 | 104.5° | 109.5° |
| CA1 | N1 | H1N1 | 109.5° | 111.0° |
| CA1 | N1 | H1N2 | 109.5° | 111.0° |
| CB1 | CA1 | HA1 | 104.1° | 109.5° |
| CA1 | CB1 | CG1 | 114.2° | 109.5° |
| CA1 | CB1 | HB11 | 108.3° | 109.5° |
| CA1 | CB1 | HB12 | 108.3° | 109.4° |
| H1N1 | N1 | H1N2 | 109.5° | 111.0° |
| CG1 | CB1 | HB11 | 108.3° | 109.5° |
| CG1 | CB1 | HB12 | 108.3° | 109.5° |
| CB1 | CG1 | CD1 | 114.5° | 109.5° |
| CB1 | CG1 | HG11 | 108.2° | 109.4° |
| CB1 | CG1 | HG12 | 108.2° | 109.5° |
| HB11 | CB1 | HB12 | 109.4° | 109.5° |
| CD1 | CG1 | HG11 | 108.2° | 109.5° |
| CD1 | CG1 | HG12 | 108.2° | 109.5° |
| CG1 | CD1 | OE1 | 123.6° | 120.0° |
| CG1 | CD1 | N2 | 115.7° | 120.0° |
| HG11 | CG1 | HG12 | 109.5° | 109.5° |
| OE1 | CD1 | N2 | 120.7° | 120.0° |
| CD1 | N2 | CA2 | 121.9° | 120.0° |
| CD1 | N2 | H2 | 119.0° | 120.0° |
| CA2 | N2 | H2 | 119.1° | 120.0° |
| N2 | CA2 | CB2 | 98.2° | 109.5° |
| N2 | CA2 | C2 | 112.6° | 109.5° |
| N2 | CA2 | HA2 | 111.8° | 109.5° |
| CB2 | CA2 | C2 | 112.3° | 109.5° |
| CB2 | CA2 | HA2 | 110.5° | 109.4° |
| CA2 | CB2 | SG2 | 111.8° | 109.5° |
| CA2 | CB2 | HB21 | 108.9° | 109.4° |
| CA2 | CB2 | HB22 | 108.9° | 109.5° |
| C2 | CA2 | HA2 | 110.9° | 109.5° |
| CA2 | C2 | O2 | 120.7° | 120.0° |
| CA2 | C2 | N3 | 113.3° | 120.0° |
| SG2 | CB2 | HB21 | 108.9° | 109.4° |
| SG2 | CB2 | HB22 | 108.9° | 109.5° |
| CB2 | SG2 | HS1 | 102.0° | 103.0° |
| HB21 | CB2 | HB22 | 109.5° | 109.5° |
| O2 | C2 | N3 | 126.0° | 120.0° |
| C2 | N3 | CA3 | 143.6° | 120.0° |
| C2 | N3 | H3 | 108.2° | 120.0° |
| CA3 | N3 | H3 | 108.2° | 120.0° |
| N3 | CA3 | C3 | 121.8° | 109.5° |
| N3 | CA3 | HA31 | 106.3° | 109.5° |
| N3 | CA3 | HA32 | 106.3° | 109.5° |
| C3 | CA3 | HA31 | 106.3° | 109.5° |
| C3 | CA3 | HA32 | 106.3° | 109.5° |
| CA3 | C3 | O31 | 120.5° | 120.0° |
| CA3 | C3 | O32 | 116.3° | 120.0° |
| HA31 | CA3 | HA32 | 109.5° | 109.5° |
| O31 | C3 | O32 | 123.2° | 120.0° |
| C3 | O31 | H31 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C1 | O11 | CA1 | 177.4° | 179.8° |
| O12 | C1 | O11 | H11 | 0.0° | 0.0° |
| O12 | C1 | CA1 | N1 | 72.8° | 20.0° |
| O12 | C1 | CA1 | CB1 | 153.6° | 100.0° |
| O12 | C1 | CA1 | HA1 | 39.3° | 140.0° |
| O11 | C1 | CA1 | N1 | 109.4° | 160.3° |
| O11 | C1 | CA1 | CB1 | 24.1° | 79.7° |
| O11 | C1 | CA1 | HA1 | 138.4° | 40.3° |
| CA1 | C1 | O11 | H11 | 177.4° | 179.7° |
| C1 | CA1 | N1 | CB1 | 135.3° | 120.0° |
| C1 | CA1 | N1 | HA1 | 111.9° | 120.0° |
| C1 | CA1 | CB1 | HA1 | 114.3° | 120.0° |
| C1 | CA1 | N1 | H1N1 | 180.0° | 60.0° |
| C1 | CA1 | N1 | H1N2 | 60.0° | 63.9° |
| C1 | CA1 | CB1 | CG1 | 43.7° | 175.0° |
| C1 | CA1 | CB1 | HB11 | 77.0° | 55.0° |
| C1 | CA1 | CB1 | HB12 | 164.4° | 65.0° |
| N1 | CA1 | CB1 | HA1 | 113.1° | 120.0° |
| CA1 | N1 | H1N1 | H1N2 | 120.0° | 123.9° |
| N1 | CA1 | CB1 | CG1 | 176.3° | 65.0° |
| N1 | CA1 | CB1 | HB11 | 55.6° | 175.0° |
| N1 | CA1 | CB1 | HB12 | 63.0° | 55.0° |
| CB1 | CA1 | N1 | H1N1 | 44.7° | 60.0° |
| CB1 | CA1 | N1 | H1N2 | 75.3° | 176.1° |
| CA1 | CB1 | CG1 | HB11 | 120.7° | 120.0° |
| CA1 | CB1 | CG1 | HB12 | 120.7° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 117.8° | 120.0° |
| CA1 | CB1 | CG1 | CD1 | 133.7° | 180.0° |
| CA1 | CB1 | CG1 | HG11 | 13.0° | 60.0° |
| CA1 | CB1 | CG1 | HG12 | 105.5° | 60.0° |
| HA1 | CA1 | N1 | H1N1 | 68.1° | 180.0° |
| HA1 | CA1 | N1 | H1N2 | 171.9° | 56.1° |
| HA1 | CA1 | CB1 | CG1 | 70.6° | 55.0° |
| HA1 | CA1 | CB1 | HB11 | 168.7° | 65.0° |
| HA1 | CA1 | CB1 | HB12 | 50.1° | 175.0° |
| CG1 | CB1 | HB11 | HB12 | 117.9° | 120.0° |
| CB1 | CG1 | CD1 | HG11 | 120.8° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 120.7° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 117.7° | 120.0° |
| CB1 | CG1 | CD1 | OE1 | 30.9° | 0.0° |
| CB1 | CG1 | CD1 | N2 | 151.3° | 180.0° |
| HB11 | CB1 | CG1 | CD1 | 105.6° | 60.0° |
| HB11 | CB1 | CG1 | HG11 | 133.7° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 15.2° | 60.1° |
| HB12 | CB1 | CG1 | CD1 | 13.0° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 107.7° | 59.9° |
| HB12 | CB1 | CG1 | HG12 | 133.8° | 179.9° |
| CD1 | CG1 | HG11 | HG12 | 117.7° | 120.1° |
| CG1 | CD1 | OE1 | N2 | 177.7° | 180.0° |
| CG1 | CD1 | N2 | CA2 | 175.9° | 180.0° |
| CG1 | CD1 | N2 | H2 | 4.1° | 0.0° |
| HG11 | CG1 | CD1 | OE1 | 89.9° | 119.9° |
| HG11 | CG1 | CD1 | N2 | 87.9° | 60.0° |
| HG12 | CG1 | CD1 | OE1 | 151.6° | 120.0° |
| HG12 | CG1 | CD1 | N2 | 30.6° | 60.0° |
| OE1 | CD1 | N2 | CA2 | 1.9° | 0.1° |
| OE1 | CD1 | N2 | H2 | 178.0° | 180.0° |
| CD1 | N2 | CA2 | H2 | 180.0° | 179.9° |
| CD1 | N2 | CA2 | CB2 | 97.7° | 85.0° |
| CD1 | N2 | CA2 | C2 | 144.0° | 155.0° |
| CD1 | N2 | CA2 | HA2 | 18.3° | 35.0° |
| N2 | CA2 | CB2 | C2 | 118.5° | 120.0° |
| N2 | CA2 | CB2 | HA2 | 117.1° | 120.0° |
| N2 | CA2 | C2 | HA2 | 126.2° | 120.0° |
| N2 | CA2 | CB2 | SG2 | 171.9° | 60.0° |
| N2 | CA2 | CB2 | HB21 | 67.8° | 60.0° |
| N2 | CA2 | CB2 | HB22 | 51.5° | 180.0° |
| N2 | CA2 | C2 | O2 | 38.7° | 0.0° |
| N2 | CA2 | C2 | N3 | 139.9° | 180.0° |
| H2 | N2 | CA2 | CB2 | 82.3° | 95.1° |
| H2 | N2 | CA2 | C2 | 36.0° | 25.0° |
| H2 | N2 | CA2 | HA2 | 161.7° | 145.0° |
| CB2 | CA2 | C2 | HA2 | 124.1° | 120.0° |
| CA2 | CB2 | SG2 | HB21 | 120.3° | 119.9° |
| CA2 | CB2 | SG2 | HB22 | 120.3° | 120.0° |
| CA2 | CB2 | HB21 | HB22 | 118.9° | 120.0° |
| CB2 | CA2 | C2 | O2 | 71.0° | 120.0° |
| CB2 | CA2 | C2 | N3 | 110.4° | 60.0° |
| CA2 | CB2 | SG2 | HS1 | 180.0° | 180.0° |
| C2 | CA2 | CB2 | SG2 | 53.3° | 180.0° |
| C2 | CA2 | CB2 | HB21 | 173.6° | 60.0° |
| C2 | CA2 | CB2 | HB22 | 67.0° | 60.0° |
| CA2 | C2 | O2 | N3 | 178.4° | 180.0° |
| CA2 | C2 | N3 | CA3 | 179.8° | 180.0° |
| CA2 | C2 | N3 | H3 | 0.2° | 0.0° |
| HA2 | CA2 | CB2 | SG2 | 71.1° | 60.1° |
| HA2 | CA2 | CB2 | HB21 | 49.2° | 180.0° |
| HA2 | CA2 | CB2 | HB22 | 168.6° | 60.0° |
| HA2 | CA2 | C2 | O2 | 164.9° | 120.0° |
| HA2 | CA2 | C2 | N3 | 13.7° | 60.0° |
| SG2 | CB2 | HB21 | HB22 | 119.0° | 120.0° |
| HB21 | CB2 | SG2 | HS1 | 59.7° | 60.1° |
| HB22 | CB2 | SG2 | HS1 | 59.7° | 60.0° |
| O2 | C2 | N3 | CA3 | 1.7° | 0.0° |
| O2 | C2 | N3 | H3 | 178.3° | 180.0° |
| C2 | N3 | CA3 | H3 | 180.0° | 180.0° |
| C2 | N3 | CA3 | C3 | 2.8° | 180.0° |
| C2 | N3 | CA3 | HA31 | 124.5° | 60.0° |
| C2 | N3 | CA3 | HA32 | 118.9° | 60.0° |
| N3 | CA3 | C3 | HA31 | 121.7° | 120.0° |
| N3 | CA3 | C3 | HA32 | 121.7° | 120.0° |
| N3 | CA3 | HA31 | HA32 | 114.5° | 120.0° |
| N3 | CA3 | C3 | O31 | 16.7° | 179.9° |
| N3 | CA3 | C3 | O32 | 164.3° | 0.1° |
| H3 | N3 | CA3 | C3 | 177.2° | 0.0° |
| H3 | N3 | CA3 | HA31 | 55.5° | 120.0° |
| H3 | N3 | CA3 | HA32 | 61.1° | 120.0° |
| C3 | CA3 | HA31 | HA32 | 114.5° | 120.1° |
| CA3 | C3 | O31 | O32 | 178.9° | 179.8° |
| CA3 | C3 | O31 | H31 | 178.9° | 180.0° |
| HA31 | CA3 | C3 | O31 | 105.0° | 60.1° |
| HA31 | CA3 | C3 | O32 | 74.0° | 120.1° |
| HA32 | CA3 | C3 | O31 | 138.4° | 59.9° |
| HA32 | CA3 | C3 | O32 | 42.7° | 119.9° |
| O32 | C3 | O31 | H31 | 0.0° | 0.1° |
